USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 345 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 16 GLN : amide:sc= -2.11 K(o=-3.4,f=-1.1) USER MOD Set 1.2: A 19 MET CE :methyl -174:sc= -1.25 (180deg=-0.341) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.17 (180deg=-0.665) USER MOD Single : A 5 THR OG1 : rot -8:sc= 0.295 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 71:sc= 0.97 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 73:sc= 0.294 USER MOD Single : A 42 MET CE :methyl 167:sc=-0.00708 (180deg=-0.246) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.893 -47.321 82.871 1.00 0.00 N ATOM 2 CA GLY A 1 15.827 -48.768 82.915 1.00 0.00 C ATOM 3 C GLY A 1 14.950 -49.283 81.785 1.00 0.00 C ATOM 4 O GLY A 1 14.415 -48.505 80.997 1.00 0.00 O ATOM 0 H1 GLY A 1 16.887 -47.017 82.918 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.468 -46.981 81.985 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.372 -46.925 83.679 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.829 -49.189 82.829 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.426 -49.093 83.875 1.00 0.00 H new ATOM 8 N VAL A 2 14.812 -50.605 81.720 1.00 0.00 N ATOM 9 CA VAL A 2 14.004 -51.256 80.694 1.00 0.00 C ATOM 10 C VAL A 2 12.527 -50.980 80.925 1.00 0.00 C ATOM 11 O VAL A 2 11.783 -50.678 79.993 1.00 0.00 O ATOM 12 CB VAL A 2 14.207 -52.783 80.700 1.00 0.00 C ATOM 13 CG1 VAL A 2 13.222 -53.455 79.756 1.00 0.00 C ATOM 14 CG2 VAL A 2 15.618 -53.134 80.253 1.00 0.00 C ATOM 0 H VAL A 2 15.255 -51.251 82.373 1.00 0.00 H new ATOM 0 HA VAL A 2 14.324 -50.850 79.734 1.00 0.00 H new ATOM 0 HB VAL A 2 14.043 -53.136 81.718 1.00 0.00 H new ATOM 0 HG11 VAL A 2 13.380 -54.533 79.773 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.203 -53.232 80.074 1.00 0.00 H new ATOM 0 HG13 VAL A 2 13.376 -53.082 78.744 1.00 0.00 H new ATOM 0 HG21 VAL A 2 15.744 -54.217 80.263 1.00 0.00 H new ATOM 0 HG22 VAL A 2 15.784 -52.759 79.243 1.00 0.00 H new ATOM 0 HG23 VAL A 2 16.339 -52.678 80.932 1.00 0.00 H new ATOM 24 N ILE A 3 12.112 -51.088 82.184 1.00 0.00 N ATOM 25 CA ILE A 3 10.724 -50.855 82.571 1.00 0.00 C ATOM 26 C ILE A 3 10.352 -49.396 82.363 1.00 0.00 C ATOM 27 O ILE A 3 9.250 -49.078 81.919 1.00 0.00 O ATOM 28 CB ILE A 3 10.486 -51.198 84.053 1.00 0.00 C ATOM 29 CG1 ILE A 3 10.646 -52.702 84.285 1.00 0.00 C ATOM 30 CG2 ILE A 3 9.083 -50.791 84.476 1.00 0.00 C ATOM 31 CD1 ILE A 3 10.673 -53.095 85.746 1.00 0.00 C ATOM 0 H ILE A 3 12.724 -51.338 82.961 1.00 0.00 H new ATOM 0 HA ILE A 3 10.108 -51.500 81.945 1.00 0.00 H new ATOM 0 HB ILE A 3 11.222 -50.652 84.644 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.826 -53.225 83.793 1.00 0.00 H new ATOM 0 HG13 ILE A 3 11.569 -53.037 83.811 1.00 0.00 H new ATOM 0 HG21 ILE A 3 8.933 -51.041 85.526 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.958 -49.717 84.337 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.351 -51.323 83.868 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.789 -54.176 85.830 1.00 0.00 H new ATOM 0 HD12 ILE A 3 11.509 -52.601 86.240 1.00 0.00 H new ATOM 0 HD13 ILE A 3 9.740 -52.792 86.222 1.00 0.00 H new ATOM 43 N ASP A 4 11.289 -48.511 82.691 1.00 0.00 N ATOM 44 CA ASP A 4 11.086 -47.073 82.551 1.00 0.00 C ATOM 45 C ASP A 4 10.612 -46.736 81.146 1.00 0.00 C ATOM 46 O ASP A 4 9.737 -45.893 80.955 1.00 0.00 O ATOM 47 CB ASP A 4 12.391 -46.319 82.815 1.00 0.00 C ATOM 48 CG ASP A 4 12.790 -46.338 84.277 1.00 0.00 C ATOM 49 OD1 ASP A 4 13.755 -45.633 84.639 1.00 0.00 O ATOM 50 OD2 ASP A 4 12.136 -47.057 85.062 1.00 0.00 O ATOM 0 H ASP A 4 12.205 -48.768 83.059 1.00 0.00 H new ATOM 0 HA ASP A 4 10.332 -46.772 83.278 1.00 0.00 H new ATOM 0 HB2 ASP A 4 13.189 -46.762 82.219 1.00 0.00 H new ATOM 0 HB3 ASP A 4 12.282 -45.286 82.485 1.00 0.00 H new ATOM 56 N THR A 5 11.205 -47.409 80.163 1.00 0.00 N ATOM 57 CA THR A 5 10.863 -47.201 78.759 1.00 0.00 C ATOM 58 C THR A 5 9.827 -48.218 78.308 1.00 0.00 C ATOM 59 O THR A 5 9.381 -48.207 77.162 1.00 0.00 O ATOM 60 CB THR A 5 12.097 -47.347 77.850 1.00 0.00 C ATOM 61 OG1 THR A 5 12.625 -48.674 77.965 1.00 0.00 O ATOM 62 CG2 THR A 5 13.176 -46.352 78.252 1.00 0.00 C ATOM 0 H THR A 5 11.931 -48.109 80.316 1.00 0.00 H new ATOM 0 HA THR A 5 10.467 -46.189 78.676 1.00 0.00 H new ATOM 0 HB THR A 5 11.793 -47.152 76.822 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.165 -49.147 78.690 1.00 0.00 H new ATOM 0 HG21 THR A 5 14.041 -46.469 77.599 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.788 -45.338 78.161 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.474 -46.535 79.284 1.00 0.00 H new ATOM 70 N SER A 6 9.449 -49.101 79.229 1.00 0.00 N ATOM 71 CA SER A 6 8.463 -50.141 78.953 1.00 0.00 C ATOM 72 C SER A 6 7.235 -49.548 78.281 1.00 0.00 C ATOM 73 O SER A 6 6.878 -49.919 77.164 1.00 0.00 O ATOM 74 CB SER A 6 8.022 -50.820 80.251 1.00 0.00 C ATOM 75 OG SER A 6 7.057 -51.826 79.999 1.00 0.00 O ATOM 0 H SER A 6 9.815 -49.116 80.181 1.00 0.00 H new ATOM 0 HA SER A 6 8.929 -50.872 78.292 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.888 -51.258 80.748 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.607 -50.076 80.931 1.00 0.00 H new ATOM 0 HG SER A 6 6.793 -52.245 80.845 1.00 0.00 H new ATOM 81 N ALA A 7 6.591 -48.617 78.980 1.00 0.00 N ATOM 82 CA ALA A 7 5.395 -47.950 78.474 1.00 0.00 C ATOM 83 C ALA A 7 5.701 -47.218 77.177 1.00 0.00 C ATOM 84 O ALA A 7 4.915 -47.243 76.231 1.00 0.00 O ATOM 85 CB ALA A 7 4.883 -46.939 79.488 1.00 0.00 C ATOM 0 H ALA A 7 6.881 -48.305 79.907 1.00 0.00 H new ATOM 0 HA ALA A 7 4.638 -48.714 78.296 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.991 -46.450 79.096 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.637 -47.450 80.419 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.653 -46.191 79.677 1.00 0.00 H new ATOM 91 N VAL A 8 6.859 -46.564 77.146 1.00 0.00 N ATOM 92 CA VAL A 8 7.299 -45.813 75.974 1.00 0.00 C ATOM 93 C VAL A 8 7.493 -46.743 74.788 1.00 0.00 C ATOM 94 O VAL A 8 7.122 -46.421 73.660 1.00 0.00 O ATOM 95 CB VAL A 8 8.635 -45.093 76.234 1.00 0.00 C ATOM 96 CG1 VAL A 8 9.177 -44.493 74.945 1.00 0.00 C ATOM 97 CG2 VAL A 8 8.448 -43.971 77.244 1.00 0.00 C ATOM 0 H VAL A 8 7.515 -46.539 77.927 1.00 0.00 H new ATOM 0 HA VAL A 8 6.524 -45.077 75.760 1.00 0.00 H new ATOM 0 HB VAL A 8 9.338 -45.829 76.624 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.122 -43.988 75.148 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.339 -45.286 74.215 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.460 -43.775 74.548 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.402 -43.473 77.416 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.727 -43.250 76.858 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.080 -44.384 78.183 1.00 0.00 H new ATOM 107 N GLU A 9 8.081 -47.905 75.058 1.00 0.00 N ATOM 108 CA GLU A 9 8.338 -48.908 74.028 1.00 0.00 C ATOM 109 C GLU A 9 7.045 -49.299 73.331 1.00 0.00 C ATOM 110 O GLU A 9 7.012 -49.499 72.118 1.00 0.00 O ATOM 111 CB GLU A 9 8.953 -50.165 74.646 1.00 0.00 C ATOM 112 CG GLU A 9 9.319 -51.239 73.634 1.00 0.00 C ATOM 113 CD GLU A 9 9.972 -52.447 74.277 1.00 0.00 C ATOM 114 OE1 GLU A 9 10.136 -52.445 75.515 1.00 0.00 O ATOM 115 OE2 GLU A 9 10.319 -53.396 73.542 1.00 0.00 O ATOM 0 H GLU A 9 8.391 -48.177 75.991 1.00 0.00 H new ATOM 0 HA GLU A 9 9.030 -48.473 73.307 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.848 -49.883 75.201 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.250 -50.584 75.366 1.00 0.00 H new ATOM 0 HG2 GLU A 9 8.420 -51.555 73.104 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.996 -50.817 72.891 1.00 0.00 H new ATOM 123 N SER A 10 5.978 -49.406 74.117 1.00 0.00 N ATOM 124 CA SER A 10 4.663 -49.773 73.601 1.00 0.00 C ATOM 125 C SER A 10 3.969 -48.562 73.000 1.00 0.00 C ATOM 126 O SER A 10 3.440 -48.617 71.891 1.00 0.00 O ATOM 127 CB SER A 10 3.783 -50.327 74.723 1.00 0.00 C ATOM 128 OG SER A 10 4.322 -51.527 75.249 1.00 0.00 O ATOM 0 H SER A 10 5.999 -49.242 75.123 1.00 0.00 H new ATOM 0 HA SER A 10 4.808 -50.534 72.834 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.693 -49.586 75.518 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.778 -50.512 74.344 1.00 0.00 H new ATOM 0 HG SER A 10 3.742 -51.860 75.965 1.00 0.00 H new ATOM 134 N ALA A 11 3.978 -47.463 73.751 1.00 0.00 N ATOM 135 CA ALA A 11 3.355 -46.217 73.316 1.00 0.00 C ATOM 136 C ALA A 11 4.094 -45.640 72.120 1.00 0.00 C ATOM 137 O ALA A 11 3.486 -45.111 71.191 1.00 0.00 O ATOM 138 CB ALA A 11 3.381 -45.191 74.439 1.00 0.00 C ATOM 0 H ALA A 11 4.414 -47.412 74.672 1.00 0.00 H new ATOM 0 HA ALA A 11 2.324 -46.439 73.040 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.913 -44.267 74.099 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.835 -45.579 75.299 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.414 -44.990 74.725 1.00 0.00 H new ATOM 144 N ILE A 12 5.419 -45.749 72.156 1.00 0.00 N ATOM 145 CA ILE A 12 6.273 -45.247 71.085 1.00 0.00 C ATOM 146 C ILE A 12 6.058 -46.048 69.812 1.00 0.00 C ATOM 147 O ILE A 12 5.920 -45.490 68.724 1.00 0.00 O ATOM 148 CB ILE A 12 7.764 -45.345 71.459 1.00 0.00 C ATOM 149 CG1 ILE A 12 8.087 -44.395 72.614 1.00 0.00 C ATOM 150 CG2 ILE A 12 8.637 -44.972 70.270 1.00 0.00 C ATOM 151 CD1 ILE A 12 7.825 -42.939 72.299 1.00 0.00 C ATOM 0 H ILE A 12 5.928 -46.185 72.924 1.00 0.00 H new ATOM 0 HA ILE A 12 6.004 -44.202 70.930 1.00 0.00 H new ATOM 0 HB ILE A 12 7.967 -46.374 71.757 1.00 0.00 H new ATOM 0 HG12 ILE A 12 7.495 -44.681 73.484 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.135 -44.515 72.888 1.00 0.00 H new ATOM 0 HG21 ILE A 12 9.687 -45.047 70.552 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.434 -45.652 69.442 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.416 -43.950 69.963 1.00 0.00 H new ATOM 0 HD11 ILE A 12 8.078 -42.328 73.166 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.437 -42.635 71.450 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.771 -42.804 72.054 1.00 0.00 H new ATOM 163 N THR A 13 6.031 -47.370 69.963 1.00 0.00 N ATOM 164 CA THR A 13 5.834 -48.280 68.838 1.00 0.00 C ATOM 165 C THR A 13 4.453 -48.086 68.232 1.00 0.00 C ATOM 166 O THR A 13 4.290 -48.072 67.013 1.00 0.00 O ATOM 167 CB THR A 13 5.957 -49.752 69.274 1.00 0.00 C ATOM 168 OG1 THR A 13 7.275 -49.994 69.781 1.00 0.00 O ATOM 169 CG2 THR A 13 5.705 -50.680 68.096 1.00 0.00 C ATOM 0 H THR A 13 6.144 -47.838 70.862 1.00 0.00 H new ATOM 0 HA THR A 13 6.609 -48.051 68.106 1.00 0.00 H new ATOM 0 HB THR A 13 5.215 -49.946 70.048 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.380 -49.545 70.646 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.796 -51.716 68.423 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.701 -50.509 67.707 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.437 -50.481 67.313 1.00 0.00 H new ATOM 177 N ASP A 14 3.458 -47.936 69.103 1.00 0.00 N ATOM 178 CA ASP A 14 2.075 -47.741 68.681 1.00 0.00 C ATOM 179 C ASP A 14 1.907 -46.383 68.020 1.00 0.00 C ATOM 180 O ASP A 14 1.352 -46.271 66.928 1.00 0.00 O ATOM 181 CB ASP A 14 1.132 -47.813 69.884 1.00 0.00 C ATOM 182 CG ASP A 14 0.997 -49.219 70.434 1.00 0.00 C ATOM 183 OD1 ASP A 14 0.151 -49.428 71.329 1.00 0.00 O ATOM 184 OD2 ASP A 14 1.737 -50.113 69.971 1.00 0.00 O ATOM 0 H ASP A 14 3.587 -47.946 70.115 1.00 0.00 H new ATOM 0 HA ASP A 14 1.830 -48.531 67.971 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.500 -47.153 70.670 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.148 -47.444 69.593 1.00 0.00 H new ATOM 190 N GLY A 15 2.396 -45.349 68.698 1.00 0.00 N ATOM 191 CA GLY A 15 2.315 -43.979 68.198 1.00 0.00 C ATOM 192 C GLY A 15 3.447 -43.699 67.223 1.00 0.00 C ATOM 193 O GLY A 15 3.226 -43.516 66.027 1.00 0.00 O ATOM 0 H GLY A 15 2.857 -45.435 69.604 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.356 -43.822 67.705 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.364 -43.278 69.031 1.00 0.00 H new ATOM 197 N GLN A 16 4.667 -43.669 67.752 1.00 0.00 N ATOM 198 CA GLN A 16 5.859 -43.414 66.950 1.00 0.00 C ATOM 199 C GLN A 16 5.865 -44.294 65.710 1.00 0.00 C ATOM 200 O GLN A 16 5.978 -43.808 64.586 1.00 0.00 O ATOM 201 CB GLN A 16 7.123 -43.711 67.759 1.00 0.00 C ATOM 202 CG GLN A 16 8.418 -43.430 67.014 1.00 0.00 C ATOM 203 CD GLN A 16 8.595 -41.961 66.686 1.00 0.00 C ATOM 204 OE1 GLN A 16 8.547 -41.107 67.571 1.00 0.00 O ATOM 205 NE2 GLN A 16 8.800 -41.662 65.408 1.00 0.00 N ATOM 0 H GLN A 16 4.856 -43.820 68.743 1.00 0.00 H new ATOM 0 HA GLN A 16 5.844 -42.364 66.659 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.105 -43.116 68.672 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.110 -44.758 68.061 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.261 -43.768 67.617 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.435 -44.009 66.091 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.832 -42.404 64.709 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.926 -40.690 65.125 1.00 0.00 H new ATOM 214 N GLY A 17 5.741 -45.600 65.932 1.00 0.00 N ATOM 215 CA GLY A 17 5.729 -46.577 64.847 1.00 0.00 C ATOM 216 C GLY A 17 4.716 -46.181 63.785 1.00 0.00 C ATOM 217 O GLY A 17 5.010 -46.192 62.591 1.00 0.00 O ATOM 0 H GLY A 17 5.647 -46.009 66.862 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.722 -46.648 64.403 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.485 -47.564 65.241 1.00 0.00 H new ATOM 221 N ASP A 18 3.516 -45.830 64.238 1.00 0.00 N ATOM 222 CA ASP A 18 2.434 -45.424 63.346 1.00 0.00 C ATOM 223 C ASP A 18 2.876 -44.265 62.467 1.00 0.00 C ATOM 224 O ASP A 18 2.228 -43.937 61.474 1.00 0.00 O ATOM 225 CB ASP A 18 1.212 -44.981 64.153 1.00 0.00 C ATOM 226 CG ASP A 18 0.521 -46.138 64.847 1.00 0.00 C ATOM 227 OD1 ASP A 18 -0.727 -46.138 64.902 1.00 0.00 O ATOM 228 OD2 ASP A 18 1.227 -47.045 65.336 1.00 0.00 O ATOM 0 H ASP A 18 3.267 -45.819 65.227 1.00 0.00 H new ATOM 0 HA ASP A 18 2.176 -46.282 62.725 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.520 -44.247 64.898 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.504 -44.485 63.490 1.00 0.00 H new ATOM 234 N MET A 19 3.991 -43.648 62.846 1.00 0.00 N ATOM 235 CA MET A 19 4.547 -42.518 62.109 1.00 0.00 C ATOM 236 C MET A 19 4.983 -42.951 60.719 1.00 0.00 C ATOM 237 O MET A 19 4.749 -42.254 59.733 1.00 0.00 O ATOM 238 CB MET A 19 5.763 -41.947 62.841 1.00 0.00 C ATOM 239 CG MET A 19 6.358 -40.711 62.186 1.00 0.00 C ATOM 240 SD MET A 19 7.779 -40.062 63.087 1.00 0.00 S ATOM 241 CE MET A 19 6.985 -39.435 64.565 1.00 0.00 C ATOM 0 H MET A 19 4.532 -43.915 63.668 1.00 0.00 H new ATOM 0 HA MET A 19 3.770 -41.757 62.033 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.476 -41.701 63.863 1.00 0.00 H new ATOM 0 HB3 MET A 19 6.531 -42.718 62.903 1.00 0.00 H new ATOM 0 HG2 MET A 19 6.659 -40.954 61.167 1.00 0.00 H new ATOM 0 HG3 MET A 19 5.593 -39.938 62.116 1.00 0.00 H new ATOM 0 HE1 MET A 19 7.717 -38.907 65.175 1.00 0.00 H new ATOM 0 HE2 MET A 19 6.184 -38.751 64.285 1.00 0.00 H new ATOM 0 HE3 MET A 19 6.570 -40.266 65.135 1.00 0.00 H new ATOM 251 N LYS A 20 5.622 -44.116 60.654 1.00 0.00 N ATOM 252 CA LYS A 20 6.105 -44.671 59.393 1.00 0.00 C ATOM 253 C LYS A 20 4.957 -44.836 58.410 1.00 0.00 C ATOM 254 O LYS A 20 5.089 -44.544 57.223 1.00 0.00 O ATOM 255 CB LYS A 20 6.747 -46.041 59.621 1.00 0.00 C ATOM 256 CG LYS A 20 7.335 -46.667 58.368 1.00 0.00 C ATOM 257 CD LYS A 20 8.004 -47.997 58.677 1.00 0.00 C ATOM 258 CE LYS A 20 8.580 -48.631 57.421 1.00 0.00 C ATOM 259 NZ LYS A 20 9.249 -49.929 57.710 1.00 0.00 N ATOM 0 H LYS A 20 5.819 -44.698 61.468 1.00 0.00 H new ATOM 0 HA LYS A 20 6.844 -43.980 58.987 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.534 -45.941 60.368 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.998 -46.717 60.035 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.547 -46.817 57.630 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.062 -45.986 57.925 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.799 -47.846 59.408 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.280 -48.674 59.129 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.782 -48.788 56.695 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.296 -47.947 56.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.628 -50.328 56.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.027 -49.776 58.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.560 -50.591 58.121 1.00 0.00 H new ATOM 273 N ALA A 21 3.825 -45.311 58.923 1.00 0.00 N ATOM 274 CA ALA A 21 2.631 -45.528 58.111 1.00 0.00 C ATOM 275 C ALA A 21 2.051 -44.200 57.653 1.00 0.00 C ATOM 276 O ALA A 21 1.630 -44.051 56.507 1.00 0.00 O ATOM 277 CB ALA A 21 1.571 -46.266 58.914 1.00 0.00 C ATOM 0 H ALA A 21 3.710 -45.555 59.907 1.00 0.00 H new ATOM 0 HA ALA A 21 2.920 -46.123 57.244 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.687 -46.420 58.295 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.963 -47.232 59.233 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.302 -45.676 59.790 1.00 0.00 H new ATOM 283 N ILE A 22 2.034 -43.234 58.568 1.00 0.00 N ATOM 284 CA ILE A 22 1.508 -41.902 58.285 1.00 0.00 C ATOM 285 C ILE A 22 2.349 -41.212 57.223 1.00 0.00 C ATOM 286 O ILE A 22 1.827 -40.677 56.247 1.00 0.00 O ATOM 287 CB ILE A 22 1.513 -41.014 59.543 1.00 0.00 C ATOM 288 CG1 ILE A 22 0.511 -41.542 60.572 1.00 0.00 C ATOM 289 CG2 ILE A 22 1.132 -39.585 59.188 1.00 0.00 C ATOM 290 CD1 ILE A 22 0.624 -40.882 61.929 1.00 0.00 C ATOM 0 H ILE A 22 2.382 -43.351 59.520 1.00 0.00 H new ATOM 0 HA ILE A 22 0.484 -42.034 57.936 1.00 0.00 H new ATOM 0 HB ILE A 22 2.519 -41.034 59.962 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.499 -41.395 60.190 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.655 -42.616 60.688 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.141 -38.972 60.089 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.848 -39.185 58.470 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.134 -39.573 58.750 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.118 -41.308 62.604 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.622 -41.051 62.334 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.450 -39.811 61.828 1.00 0.00 H new ATOM 302 N GLY A 23 3.663 -41.233 57.427 1.00 0.00 N ATOM 303 CA GLY A 23 4.607 -40.616 56.499 1.00 0.00 C ATOM 304 C GLY A 23 4.602 -41.351 55.168 1.00 0.00 C ATOM 305 O GLY A 23 4.592 -40.737 54.102 1.00 0.00 O ATOM 0 H GLY A 23 4.102 -41.675 58.235 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.343 -39.570 56.344 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.610 -40.632 56.926 1.00 0.00 H new ATOM 309 N GLY A 24 4.611 -42.678 55.245 1.00 0.00 N ATOM 310 CA GLY A 24 4.609 -43.528 54.058 1.00 0.00 C ATOM 311 C GLY A 24 3.286 -43.408 53.319 1.00 0.00 C ATOM 312 O GLY A 24 3.248 -43.112 52.126 1.00 0.00 O ATOM 0 H GLY A 24 4.620 -43.192 56.126 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.428 -43.243 53.398 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.778 -44.565 54.346 1.00 0.00 H new ATOM 316 N TYR A 25 2.198 -43.641 54.047 1.00 0.00 N ATOM 317 CA TYR A 25 0.853 -43.567 53.485 1.00 0.00 C ATOM 318 C TYR A 25 0.614 -42.204 52.856 1.00 0.00 C ATOM 319 O TYR A 25 -0.002 -42.091 51.797 1.00 0.00 O ATOM 320 CB TYR A 25 -0.197 -43.787 54.576 1.00 0.00 C ATOM 321 CG TYR A 25 -1.622 -43.712 54.079 1.00 0.00 C ATOM 322 CD1 TYR A 25 -2.194 -44.777 53.395 1.00 0.00 C ATOM 323 CD2 TYR A 25 -2.392 -42.576 54.295 1.00 0.00 C ATOM 324 CE1 TYR A 25 -3.497 -44.717 52.937 1.00 0.00 C ATOM 325 CE2 TYR A 25 -3.696 -42.498 53.844 1.00 0.00 C ATOM 326 CZ TYR A 25 -4.245 -43.582 53.160 1.00 0.00 C ATOM 327 OH TYR A 25 -5.542 -43.520 52.705 1.00 0.00 O ATOM 0 H TYR A 25 2.223 -43.885 55.037 1.00 0.00 H new ATOM 0 HA TYR A 25 0.767 -44.345 52.727 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.033 -44.763 55.033 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.056 -43.041 55.358 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.610 -45.668 53.218 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.964 -41.738 54.825 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.926 -45.555 52.408 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.283 -41.608 54.019 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.932 -42.653 52.944 1.00 0.00 H new ATOM 337 N ILE A 26 1.111 -41.167 53.524 1.00 0.00 N ATOM 338 CA ILE A 26 0.967 -39.793 53.052 1.00 0.00 C ATOM 339 C ILE A 26 1.901 -39.532 51.882 1.00 0.00 C ATOM 340 O ILE A 26 1.511 -38.941 50.876 1.00 0.00 O ATOM 341 CB ILE A 26 1.301 -38.777 54.160 1.00 0.00 C ATOM 342 CG1 ILE A 26 0.265 -38.853 55.283 1.00 0.00 C ATOM 343 CG2 ILE A 26 1.305 -37.362 53.603 1.00 0.00 C ATOM 344 CD1 ILE A 26 0.647 -38.071 56.521 1.00 0.00 C ATOM 0 H ILE A 26 1.622 -41.254 54.403 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.072 -39.670 52.747 1.00 0.00 H new ATOM 0 HB ILE A 26 2.289 -39.022 54.550 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.689 -38.481 54.910 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.115 -39.897 55.556 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.543 -36.658 54.400 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.053 -37.284 52.814 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.322 -37.129 53.195 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.136 -38.173 57.272 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.585 -38.457 56.920 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.768 -37.019 56.264 1.00 0.00 H new ATOM 356 N VAL A 27 3.144 -39.981 52.028 1.00 0.00 N ATOM 357 CA VAL A 27 4.163 -39.809 50.995 1.00 0.00 C ATOM 358 C VAL A 27 3.921 -40.772 49.844 1.00 0.00 C ATOM 359 O VAL A 27 4.237 -40.479 48.692 1.00 0.00 O ATOM 360 CB VAL A 27 5.576 -40.075 51.546 1.00 0.00 C ATOM 361 CG1 VAL A 27 6.597 -40.069 50.419 1.00 0.00 C ATOM 362 CG2 VAL A 27 5.966 -39.004 52.553 1.00 0.00 C ATOM 0 H VAL A 27 3.473 -40.471 52.860 1.00 0.00 H new ATOM 0 HA VAL A 27 4.095 -38.777 50.651 1.00 0.00 H new ATOM 0 HB VAL A 27 5.565 -41.051 52.030 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.590 -40.259 50.827 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.347 -40.846 49.697 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.587 -39.098 49.924 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.967 -39.208 52.932 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.953 -38.027 52.069 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.257 -39.008 53.381 1.00 0.00 H new ATOM 372 N GLY A 28 3.354 -41.929 50.172 1.00 0.00 N ATOM 373 CA GLY A 28 3.056 -42.960 49.183 1.00 0.00 C ATOM 374 C GLY A 28 1.842 -42.569 48.355 1.00 0.00 C ATOM 375 O GLY A 28 1.665 -43.030 47.229 1.00 0.00 O ATOM 0 H GLY A 28 3.089 -42.178 51.125 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.917 -43.106 48.530 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.871 -43.910 49.684 1.00 0.00 H new ATOM 379 N ALA A 29 1.007 -41.709 48.931 1.00 0.00 N ATOM 380 CA ALA A 29 -0.204 -41.235 48.269 1.00 0.00 C ATOM 381 C ALA A 29 0.111 -40.054 47.364 1.00 0.00 C ATOM 382 O ALA A 29 -0.508 -39.871 46.317 1.00 0.00 O ATOM 383 CB ALA A 29 -1.232 -40.792 49.299 1.00 0.00 C ATOM 0 H ALA A 29 1.149 -41.323 49.864 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.604 -42.057 47.676 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.130 -40.441 48.790 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.486 -41.633 49.944 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.818 -39.984 49.902 1.00 0.00 H new ATOM 389 N LEU A 30 1.086 -39.253 47.785 1.00 0.00 N ATOM 390 CA LEU A 30 1.508 -38.076 47.030 1.00 0.00 C ATOM 391 C LEU A 30 1.894 -38.464 45.612 1.00 0.00 C ATOM 392 O LEU A 30 1.740 -37.682 44.675 1.00 0.00 O ATOM 393 CB LEU A 30 2.717 -37.416 47.697 1.00 0.00 C ATOM 394 CG LEU A 30 2.455 -36.713 49.030 1.00 0.00 C ATOM 395 CD1 LEU A 30 3.757 -36.216 49.641 1.00 0.00 C ATOM 396 CD2 LEU A 30 1.534 -35.518 48.836 1.00 0.00 C ATOM 0 H LEU A 30 1.603 -39.399 48.652 1.00 0.00 H new ATOM 0 HA LEU A 30 0.671 -37.378 47.008 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.479 -38.179 47.856 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.136 -36.688 47.003 1.00 0.00 H new ATOM 0 HG LEU A 30 1.986 -37.439 49.694 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.548 -35.719 50.588 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.424 -37.061 49.814 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.233 -35.511 48.959 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.361 -35.032 49.796 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.997 -34.809 48.149 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.583 -35.855 48.423 1.00 0.00 H new ATOM 408 N VAL A 31 2.400 -39.685 45.467 1.00 0.00 N ATOM 409 CA VAL A 31 2.819 -40.208 44.169 1.00 0.00 C ATOM 410 C VAL A 31 1.680 -40.118 43.167 1.00 0.00 C ATOM 411 O VAL A 31 1.894 -39.873 41.981 1.00 0.00 O ATOM 412 CB VAL A 31 3.248 -41.684 44.267 1.00 0.00 C ATOM 413 CG1 VAL A 31 3.460 -42.270 42.880 1.00 0.00 C ATOM 414 CG2 VAL A 31 4.549 -41.809 45.045 1.00 0.00 C ATOM 0 H VAL A 31 2.531 -40.337 46.240 1.00 0.00 H new ATOM 0 HA VAL A 31 3.665 -39.604 43.842 1.00 0.00 H new ATOM 0 HB VAL A 31 2.455 -42.227 44.781 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.763 -43.313 42.968 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.531 -42.208 42.313 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.238 -41.709 42.363 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.838 -42.858 45.105 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.332 -41.246 44.538 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.411 -41.413 46.051 1.00 0.00 H new ATOM 424 N ILE A 32 0.462 -40.320 43.661 1.00 0.00 N ATOM 425 CA ILE A 32 -0.737 -40.268 42.828 1.00 0.00 C ATOM 426 C ILE A 32 -0.951 -38.863 42.290 1.00 0.00 C ATOM 427 O ILE A 32 -1.290 -38.673 41.123 1.00 0.00 O ATOM 428 CB ILE A 32 -1.994 -40.667 43.623 1.00 0.00 C ATOM 429 CG1 ILE A 32 -1.930 -42.144 44.017 1.00 0.00 C ATOM 430 CG2 ILE A 32 -3.245 -40.445 42.787 1.00 0.00 C ATOM 431 CD1 ILE A 32 -2.998 -42.560 45.005 1.00 0.00 C ATOM 0 H ILE A 32 0.278 -40.523 44.643 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.585 -40.972 42.010 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.033 -40.047 44.518 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.022 -42.754 43.119 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.950 -42.354 44.446 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.124 -40.732 43.364 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.318 -39.392 42.514 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.191 -41.051 41.883 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.888 -43.620 45.236 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.894 -41.977 45.920 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.983 -42.384 44.572 1.00 0.00 H new ATOM 443 N LEU A 33 -0.747 -37.878 43.160 1.00 0.00 N ATOM 444 CA LEU A 33 -0.911 -36.472 42.799 1.00 0.00 C ATOM 445 C LEU A 33 0.074 -36.085 41.708 1.00 0.00 C ATOM 446 O LEU A 33 -0.293 -35.470 40.708 1.00 0.00 O ATOM 447 CB LEU A 33 -0.665 -35.575 44.014 1.00 0.00 C ATOM 448 CG LEU A 33 -1.741 -35.596 45.101 1.00 0.00 C ATOM 449 CD1 LEU A 33 -1.311 -34.763 46.299 1.00 0.00 C ATOM 450 CD2 LEU A 33 -3.050 -35.029 44.573 1.00 0.00 C ATOM 0 H LEU A 33 -0.465 -38.029 44.129 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.932 -36.337 42.441 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.284 -35.864 44.466 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.552 -34.549 43.664 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.881 -36.634 45.401 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.090 -34.791 47.060 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.387 -35.168 46.711 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.147 -33.732 45.985 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.802 -35.053 45.362 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.896 -33.999 44.250 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.391 -35.627 43.728 1.00 0.00 H new ATOM 462 N ALA A 34 1.335 -36.455 41.914 1.00 0.00 N ATOM 463 CA ALA A 34 2.401 -36.158 40.960 1.00 0.00 C ATOM 464 C ALA A 34 2.088 -36.772 39.605 1.00 0.00 C ATOM 465 O ALA A 34 2.307 -36.157 38.562 1.00 0.00 O ATOM 466 CB ALA A 34 3.725 -36.723 41.451 1.00 0.00 C ATOM 0 H ALA A 34 1.646 -36.966 42.741 1.00 0.00 H new ATOM 0 HA ALA A 34 2.473 -35.074 40.867 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.509 -36.493 40.729 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.976 -36.277 42.413 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.640 -37.804 41.563 1.00 0.00 H new ATOM 472 N VAL A 35 1.572 -37.997 39.634 1.00 0.00 N ATOM 473 CA VAL A 35 1.217 -38.723 38.418 1.00 0.00 C ATOM 474 C VAL A 35 0.247 -37.911 37.577 1.00 0.00 C ATOM 475 O VAL A 35 0.383 -37.820 36.358 1.00 0.00 O ATOM 476 CB VAL A 35 0.548 -40.072 38.741 1.00 0.00 C ATOM 477 CG1 VAL A 35 0.001 -40.712 37.474 1.00 0.00 C ATOM 478 CG2 VAL A 35 1.552 -41.028 39.367 1.00 0.00 C ATOM 0 H VAL A 35 1.389 -38.512 40.495 1.00 0.00 H new ATOM 0 HA VAL A 35 2.144 -38.897 37.872 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.266 -39.880 39.440 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.468 -41.664 37.721 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.737 -40.050 37.022 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.816 -40.881 36.770 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.062 -41.976 39.589 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.374 -41.198 38.672 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.940 -40.596 40.289 1.00 0.00 H new ATOM 488 N ALA A 36 -0.738 -37.320 38.247 1.00 0.00 N ATOM 489 CA ALA A 36 -1.753 -36.505 37.585 1.00 0.00 C ATOM 490 C ALA A 36 -1.122 -35.266 36.971 1.00 0.00 C ATOM 491 O ALA A 36 -1.394 -34.916 35.823 1.00 0.00 O ATOM 492 CB ALA A 36 -2.812 -36.063 38.583 1.00 0.00 C ATOM 0 H ALA A 36 -0.855 -37.391 39.258 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.211 -37.111 36.804 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.561 -35.457 38.074 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.290 -36.940 39.019 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.345 -35.475 39.373 1.00 0.00 H new ATOM 498 N GLY A 37 -0.274 -34.605 37.753 1.00 0.00 N ATOM 499 CA GLY A 37 0.414 -33.395 37.312 1.00 0.00 C ATOM 500 C GLY A 37 1.059 -33.616 35.953 1.00 0.00 C ATOM 501 O GLY A 37 0.747 -32.930 34.981 1.00 0.00 O ATOM 0 H GLY A 37 -0.045 -34.890 38.705 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.293 -32.567 37.256 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.174 -33.115 38.041 1.00 0.00 H new ATOM 505 N LEU A 38 1.966 -34.587 35.899 1.00 0.00 N ATOM 506 CA LEU A 38 2.677 -34.924 34.668 1.00 0.00 C ATOM 507 C LEU A 38 1.696 -35.352 33.589 1.00 0.00 C ATOM 508 O LEU A 38 1.851 -35.011 32.418 1.00 0.00 O ATOM 509 CB LEU A 38 3.659 -36.072 34.913 1.00 0.00 C ATOM 510 CG LEU A 38 4.893 -35.740 35.755 1.00 0.00 C ATOM 511 CD1 LEU A 38 5.711 -36.993 36.026 1.00 0.00 C ATOM 512 CD2 LEU A 38 5.781 -34.738 35.034 1.00 0.00 C ATOM 0 H LEU A 38 2.228 -35.160 36.701 1.00 0.00 H new ATOM 0 HA LEU A 38 3.220 -34.037 34.344 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.121 -36.885 35.401 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.995 -36.447 33.946 1.00 0.00 H new ATOM 0 HG LEU A 38 4.542 -35.315 36.696 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.584 -36.735 36.626 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.100 -37.716 36.566 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.036 -37.427 35.080 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.653 -34.515 35.649 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.106 -35.159 34.083 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.221 -33.821 34.852 1.00 0.00 H new ATOM 524 N ILE A 39 0.682 -36.107 34.000 1.00 0.00 N ATOM 525 CA ILE A 39 -0.346 -36.599 33.087 1.00 0.00 C ATOM 526 C ILE A 39 -1.040 -35.440 32.392 1.00 0.00 C ATOM 527 O ILE A 39 -1.272 -35.469 31.184 1.00 0.00 O ATOM 528 CB ILE A 39 -1.419 -37.415 33.832 1.00 0.00 C ATOM 529 CG1 ILE A 39 -0.821 -38.717 34.369 1.00 0.00 C ATOM 530 CG2 ILE A 39 -2.569 -37.761 32.898 1.00 0.00 C ATOM 531 CD1 ILE A 39 -0.272 -39.626 33.291 1.00 0.00 C ATOM 0 H ILE A 39 0.549 -36.394 34.970 1.00 0.00 H new ATOM 0 HA ILE A 39 0.156 -37.236 32.359 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.786 -36.807 34.659 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.022 -38.477 35.071 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.587 -39.254 34.929 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.318 -38.338 33.441 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.021 -36.843 32.521 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.194 -38.350 32.062 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.135 -40.528 33.748 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.072 -39.897 32.602 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.517 -39.108 32.746 1.00 0.00 H new ATOM 543 N TYR A 40 -1.370 -34.416 33.174 1.00 0.00 N ATOM 544 CA TYR A 40 -2.043 -33.226 32.659 1.00 0.00 C ATOM 545 C TYR A 40 -1.110 -32.435 31.758 1.00 0.00 C ATOM 546 O TYR A 40 -1.511 -31.940 30.706 1.00 0.00 O ATOM 547 CB TYR A 40 -2.486 -32.321 33.810 1.00 0.00 C ATOM 548 CG TYR A 40 -3.217 -31.075 33.363 1.00 0.00 C ATOM 549 CD1 TYR A 40 -4.549 -31.133 32.973 1.00 0.00 C ATOM 550 CD2 TYR A 40 -2.573 -29.845 33.333 1.00 0.00 C ATOM 551 CE1 TYR A 40 -5.225 -29.999 32.563 1.00 0.00 C ATOM 552 CE2 TYR A 40 -3.233 -28.701 32.926 1.00 0.00 C ATOM 553 CZ TYR A 40 -4.569 -28.787 32.539 1.00 0.00 C ATOM 554 OH TYR A 40 -5.240 -27.657 32.131 1.00 0.00 O ATOM 0 H TYR A 40 -1.180 -34.387 34.176 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.913 -33.556 32.092 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.133 -32.890 34.478 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.609 -32.028 34.388 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.066 -32.081 32.990 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.538 -29.781 33.633 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.261 -30.062 32.263 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.719 -27.751 32.908 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.637 -26.886 32.173 1.00 0.00 H new ATOM 564 N SER A 41 0.145 -32.322 32.186 1.00 0.00 N ATOM 565 CA SER A 41 1.162 -31.594 31.435 1.00 0.00 C ATOM 566 C SER A 41 1.349 -32.208 30.057 1.00 0.00 C ATOM 567 O SER A 41 1.332 -31.512 29.043 1.00 0.00 O ATOM 568 CB SER A 41 2.504 -31.637 32.169 1.00 0.00 C ATOM 569 OG SER A 41 2.436 -30.934 33.398 1.00 0.00 O ATOM 0 H SER A 41 0.483 -32.730 33.058 1.00 0.00 H new ATOM 0 HA SER A 41 0.826 -30.562 31.337 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.788 -32.673 32.354 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.280 -31.202 31.540 1.00 0.00 H new ATOM 0 HG SER A 41 1.909 -31.452 34.042 1.00 0.00 H new ATOM 575 N MET A 42 1.529 -33.526 30.035 1.00 0.00 N ATOM 576 CA MET A 42 1.722 -34.266 28.791 1.00 0.00 C ATOM 577 C MET A 42 0.481 -34.174 27.918 1.00 0.00 C ATOM 578 O MET A 42 0.569 -34.009 26.702 1.00 0.00 O ATOM 579 CB MET A 42 1.999 -35.742 29.083 1.00 0.00 C ATOM 580 CG MET A 42 2.296 -36.574 27.846 1.00 0.00 C ATOM 581 SD MET A 42 2.647 -38.299 28.236 1.00 0.00 S ATOM 582 CE MET A 42 1.025 -38.872 28.733 1.00 0.00 C ATOM 0 H MET A 42 1.545 -34.108 30.873 1.00 0.00 H new ATOM 0 HA MET A 42 2.573 -33.825 28.272 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.844 -35.814 29.767 1.00 0.00 H new ATOM 0 HB3 MET A 42 1.137 -36.168 29.596 1.00 0.00 H new ATOM 0 HG2 MET A 42 1.445 -36.525 27.167 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.148 -36.144 27.320 1.00 0.00 H new ATOM 0 HE1 MET A 42 1.023 -39.961 28.782 1.00 0.00 H new ATOM 0 HE2 MET A 42 0.780 -38.464 29.714 1.00 0.00 H new ATOM 0 HE3 MET A 42 0.283 -38.540 28.006 1.00 0.00 H new ATOM 592 N LEU A 43 -0.680 -34.283 28.557 1.00 0.00 N ATOM 593 CA LEU A 43 -1.963 -34.215 27.863 1.00 0.00 C ATOM 594 C LEU A 43 -2.281 -32.781 27.472 1.00 0.00 C ATOM 595 O LEU A 43 -2.788 -32.516 26.383 1.00 0.00 O ATOM 596 CB LEU A 43 -3.087 -34.732 28.763 1.00 0.00 C ATOM 597 CG LEU A 43 -3.096 -36.236 29.040 1.00 0.00 C ATOM 598 CD1 LEU A 43 -4.182 -36.591 30.044 1.00 0.00 C ATOM 599 CD2 LEU A 43 -3.358 -37.017 27.761 1.00 0.00 C ATOM 0 H LEU A 43 -0.759 -34.420 29.565 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.891 -34.835 26.969 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.029 -34.209 29.717 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.040 -34.462 28.309 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.118 -36.499 29.442 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.171 -37.665 30.227 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.000 -36.062 30.979 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.154 -36.300 29.646 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.360 -38.085 27.981 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.326 -36.729 27.351 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.576 -36.798 27.034 1.00 0.00 H new ATOM 611 N ARG A 44 -1.977 -31.857 28.378 1.00 0.00 N ATOM 612 CA ARG A 44 -2.220 -30.435 28.155 1.00 0.00 C ATOM 613 C ARG A 44 -1.096 -29.824 27.334 1.00 0.00 C ATOM 614 O ARG A 44 -1.312 -28.912 26.538 1.00 0.00 O ATOM 615 CB ARG A 44 -2.304 -29.690 29.489 1.00 0.00 C ATOM 616 CG ARG A 44 -2.646 -28.215 29.356 1.00 0.00 C ATOM 617 CD ARG A 44 -4.059 -28.022 28.831 1.00 0.00 C ATOM 618 NE ARG A 44 -4.411 -26.608 28.712 1.00 0.00 N ATOM 619 CZ ARG A 44 -5.516 -26.160 28.127 1.00 0.00 C ATOM 620 NH1 ARG A 44 -6.383 -27.016 27.604 1.00 0.00 N ATOM 621 NH2 ARG A 44 -5.752 -24.856 28.066 1.00 0.00 N ATOM 0 H ARG A 44 -1.558 -32.071 29.283 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.164 -30.340 27.618 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.056 -30.171 30.115 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.350 -29.785 30.007 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.546 -27.727 30.326 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.936 -27.734 28.683 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.152 -28.502 27.857 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.765 -28.516 29.499 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.766 -25.921 29.103 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.201 -28.019 27.651 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.232 -26.672 27.155 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.085 -24.198 28.468 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.601 -24.512 27.617 1.00 0.00 H new ATOM 635 N LYS A 45 0.112 -30.342 27.540 1.00 0.00 N ATOM 636 CA LYS A 45 1.295 -29.867 26.830 1.00 0.00 C ATOM 637 C LYS A 45 1.276 -30.339 25.386 1.00 0.00 C ATOM 638 O LYS A 45 1.524 -29.567 24.461 1.00 0.00 O ATOM 639 CB LYS A 45 2.567 -30.397 27.494 1.00 0.00 C ATOM 640 CG LYS A 45 3.854 -29.907 26.850 1.00 0.00 C ATOM 641 CD LYS A 45 5.075 -30.425 27.592 1.00 0.00 C ATOM 642 CE LYS A 45 6.362 -29.948 26.939 1.00 0.00 C ATOM 643 NZ LYS A 45 7.567 -30.438 27.663 1.00 0.00 N ATOM 0 H LYS A 45 0.297 -31.098 28.199 1.00 0.00 H new ATOM 0 HA LYS A 45 1.286 -28.778 26.863 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.565 -30.105 28.544 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.551 -31.487 27.466 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.891 -30.235 25.811 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.867 -28.817 26.841 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.044 -30.088 28.628 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.056 -31.515 27.611 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.394 -30.293 25.906 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.373 -28.858 26.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.424 -30.091 27.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.550 -30.088 28.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.570 -31.478 27.667 1.00 0.00 H new ATOM 657 N ALA A 46 0.977 -31.622 25.205 1.00 0.00 N ATOM 658 CA ALA A 46 0.917 -32.230 23.879 1.00 0.00 C ATOM 659 C ALA A 46 0.549 -33.701 24.003 1.00 0.00 C ATOM 660 O ALA A 46 0.353 -34.205 25.107 1.00 0.00 O ATOM 661 CB ALA A 46 2.265 -32.065 23.183 1.00 0.00 C ATOM 0 H ALA A 46 0.771 -32.266 25.968 1.00 0.00 H new ATOM 0 HA ALA A 46 0.152 -31.734 23.281 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.221 -32.519 22.193 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.497 -31.004 23.086 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.041 -32.554 23.772 1.00 0.00 H new TER 667 ALA A 46