USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 423 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 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= -0.902 (180deg=-1.06) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HE2:sc= -0.0206 K(o=-0.021,f=-2.8) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 114:sc= 0.0987 USER MOD Single : A 21 LYS NZ :NH3+ -118:sc= -0.383 (180deg=-1.75!) USER MOD Single : A 22 THR OG1 : rot -92:sc= -1.66 USER MOD Single : A 23 GLN : amide:sc= -0.342 K(o=-0.34,f=-1.4) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 135:sc= -0.0943 (180deg=-0.538) USER MOD Single : A 50 SER OG : rot -128:sc= -0.719! USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 151:sc= -0.426 (180deg=-1.64!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.973 -10.603 -3.359 1.00 0.00 N ATOM 2 CA MET A 1 -4.819 -10.690 -2.422 1.00 0.00 C ATOM 3 C MET A 1 -4.392 -9.310 -1.946 1.00 0.00 C ATOM 4 O MET A 1 -3.892 -8.506 -2.734 1.00 0.00 O ATOM 5 CB MET A 1 -3.624 -11.394 -3.096 1.00 0.00 C ATOM 6 CG MET A 1 -3.850 -11.818 -4.542 1.00 0.00 C ATOM 7 SD MET A 1 -4.189 -13.582 -4.696 1.00 0.00 S ATOM 8 CE MET A 1 -3.225 -13.980 -6.151 1.00 0.00 C ATOM 0 H1 MET A 1 -6.199 -11.552 -3.720 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.799 -10.217 -2.858 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.728 -9.979 -4.154 1.00 0.00 H new ATOM 0 HA MET A 1 -5.140 -11.273 -1.559 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.763 -10.727 -3.061 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.367 -12.277 -2.511 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.684 -11.253 -4.957 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.969 -11.567 -5.133 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.330 -15.041 -6.378 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.581 -13.391 -6.996 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.176 -13.751 -5.966 1.00 0.00 H new ATOM 20 N GLU A 2 -4.593 -9.024 -0.668 1.00 0.00 N ATOM 21 CA GLU A 2 -4.261 -7.704 -0.156 1.00 0.00 C ATOM 22 C GLU A 2 -2.933 -7.648 0.588 1.00 0.00 C ATOM 23 O GLU A 2 -2.253 -8.651 0.804 1.00 0.00 O ATOM 24 CB GLU A 2 -5.370 -7.218 0.780 1.00 0.00 C ATOM 25 CG GLU A 2 -6.378 -6.297 0.116 1.00 0.00 C ATOM 26 CD GLU A 2 -7.797 -6.565 0.578 1.00 0.00 C ATOM 27 OE1 GLU A 2 -8.073 -6.387 1.781 1.00 0.00 O ATOM 28 OE2 GLU A 2 -8.632 -6.958 -0.262 1.00 0.00 O ATOM 0 H GLU A 2 -4.976 -9.672 0.020 1.00 0.00 H new ATOM 0 HA GLU A 2 -4.166 -7.058 -1.029 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.895 -8.083 1.185 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.917 -6.697 1.623 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.118 -5.261 0.333 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.321 -6.420 -0.966 1.00 0.00 H new ATOM 35 N ALA A 3 -2.612 -6.424 0.976 1.00 0.00 N ATOM 36 CA ALA A 3 -1.398 -6.111 1.707 1.00 0.00 C ATOM 37 C ALA A 3 -1.730 -5.207 2.882 1.00 0.00 C ATOM 38 O ALA A 3 -2.628 -4.370 2.782 1.00 0.00 O ATOM 39 CB ALA A 3 -0.404 -5.428 0.777 1.00 0.00 C ATOM 0 H ALA A 3 -3.197 -5.610 0.788 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.951 -7.030 2.086 1.00 0.00 H new ATOM 0 HB1 ALA A 3 0.507 -5.193 1.327 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.166 -6.093 -0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.841 -4.508 0.390 1.00 0.00 H new ATOM 45 N ILE A 4 -0.983 -5.315 3.972 1.00 0.00 N ATOM 46 CA ILE A 4 -1.212 -4.462 5.127 1.00 0.00 C ATOM 47 C ILE A 4 -0.166 -3.366 5.187 1.00 0.00 C ATOM 48 O ILE A 4 0.964 -3.572 4.759 1.00 0.00 O ATOM 49 CB ILE A 4 -1.167 -5.252 6.451 1.00 0.00 C ATOM 50 CG1 ILE A 4 -1.860 -6.607 6.312 1.00 0.00 C ATOM 51 CG2 ILE A 4 -1.808 -4.442 7.565 1.00 0.00 C ATOM 52 CD1 ILE A 4 -1.127 -7.722 7.023 1.00 0.00 C ATOM 0 H ILE A 4 -0.218 -5.981 4.080 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.208 -4.035 5.009 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.122 -5.435 6.701 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.872 -6.534 6.710 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.950 -6.856 5.255 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.771 -5.009 8.495 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.267 -3.504 7.690 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.847 -4.231 7.310 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.669 -8.658 6.887 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.124 -7.820 6.609 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.060 -7.493 8.087 1.00 0.00 H new ATOM 64 N ALA A 5 -0.514 -2.228 5.773 1.00 0.00 N ATOM 65 CA ALA A 5 0.449 -1.142 5.897 1.00 0.00 C ATOM 66 C ALA A 5 0.223 -0.336 7.148 1.00 0.00 C ATOM 67 O ALA A 5 -0.707 0.474 7.202 1.00 0.00 O ATOM 68 CB ALA A 5 0.368 -0.246 4.689 1.00 0.00 C ATOM 0 H ALA A 5 -1.436 -2.034 6.163 1.00 0.00 H new ATOM 0 HA ALA A 5 1.443 -1.584 5.961 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.091 0.564 4.788 1.00 0.00 H new ATOM 0 HB2 ALA A 5 0.591 -0.824 3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -0.636 0.171 4.612 1.00 0.00 H new ATOM 74 N LYS A 6 1.072 -0.508 8.157 1.00 0.00 N ATOM 75 CA LYS A 6 0.864 0.278 9.350 1.00 0.00 C ATOM 76 C LYS A 6 1.784 1.479 9.434 1.00 0.00 C ATOM 77 O LYS A 6 2.884 1.411 9.979 1.00 0.00 O ATOM 78 CB LYS A 6 1.061 -0.617 10.586 1.00 0.00 C ATOM 79 CG LYS A 6 2.234 -1.587 10.473 1.00 0.00 C ATOM 80 CD LYS A 6 2.541 -2.252 11.811 1.00 0.00 C ATOM 81 CE LYS A 6 2.173 -3.730 11.811 1.00 0.00 C ATOM 82 NZ LYS A 6 2.399 -4.358 13.145 1.00 0.00 N ATOM 0 H LYS A 6 1.865 -1.149 8.170 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.155 0.664 9.312 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.211 0.017 11.460 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.148 -1.187 10.758 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.005 -2.351 9.730 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.116 -1.053 10.120 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.602 -2.143 12.035 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.993 -1.742 12.604 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.126 -3.844 11.528 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.765 -4.252 11.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.137 -5.364 13.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.403 -4.272 13.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.815 -3.877 13.859 1.00 0.00 H new ATOM 96 N HIS A 7 1.244 2.611 8.991 1.00 0.00 N ATOM 97 CA HIS A 7 1.865 3.915 9.113 1.00 0.00 C ATOM 98 C HIS A 7 0.756 4.933 8.804 1.00 0.00 C ATOM 99 O HIS A 7 0.328 4.993 7.652 1.00 0.00 O ATOM 100 CB HIS A 7 3.089 4.061 8.222 1.00 0.00 C ATOM 101 CG HIS A 7 4.302 4.521 8.969 1.00 0.00 C ATOM 102 ND1 HIS A 7 4.942 5.712 8.706 1.00 0.00 N ATOM 103 CD2 HIS A 7 4.987 3.947 9.988 1.00 0.00 C ATOM 104 CE1 HIS A 7 5.967 5.852 9.528 1.00 0.00 C ATOM 105 NE2 HIS A 7 6.016 4.794 10.316 1.00 0.00 N ATOM 0 H HIS A 7 0.337 2.641 8.525 1.00 0.00 H new ATOM 0 HA HIS A 7 2.262 4.077 10.115 1.00 0.00 H new ATOM 0 HB2 HIS A 7 3.303 3.104 7.747 1.00 0.00 H new ATOM 0 HB3 HIS A 7 2.869 4.771 7.424 1.00 0.00 H new ATOM 0 HD1 HIS A 7 4.667 6.382 7.988 1.00 0.00 H new ATOM 0 HD2 HIS A 7 4.764 2.999 10.455 1.00 0.00 H new ATOM 0 HE1 HIS A 7 6.649 6.689 9.551 1.00 0.00 H new ATOM 114 N ASP A 8 0.307 5.765 9.736 1.00 0.00 N ATOM 115 CA ASP A 8 -0.718 6.765 9.413 1.00 0.00 C ATOM 116 C ASP A 8 -0.053 8.067 8.985 1.00 0.00 C ATOM 117 O ASP A 8 0.336 8.902 9.800 1.00 0.00 O ATOM 118 CB ASP A 8 -1.638 6.997 10.616 1.00 0.00 C ATOM 119 CG ASP A 8 -0.866 7.207 11.902 1.00 0.00 C ATOM 120 OD1 ASP A 8 0.379 7.283 11.844 1.00 0.00 O ATOM 121 OD2 ASP A 8 -1.508 7.286 12.970 1.00 0.00 O ATOM 0 H ASP A 8 0.625 5.773 10.705 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.327 6.395 8.588 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.267 7.867 10.427 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.304 6.142 10.731 1.00 0.00 H new ATOM 126 N PHE A 9 -0.070 8.252 7.661 1.00 0.00 N ATOM 127 CA PHE A 9 0.418 9.473 7.034 1.00 0.00 C ATOM 128 C PHE A 9 -0.740 10.167 6.322 1.00 0.00 C ATOM 129 O PHE A 9 -1.273 9.656 5.332 1.00 0.00 O ATOM 130 CB PHE A 9 1.528 9.158 6.025 1.00 0.00 C ATOM 131 CG PHE A 9 2.739 10.035 6.167 1.00 0.00 C ATOM 132 CD1 PHE A 9 3.721 9.736 7.098 1.00 0.00 C ATOM 133 CD2 PHE A 9 2.896 11.160 5.369 1.00 0.00 C ATOM 134 CE1 PHE A 9 4.836 10.543 7.231 1.00 0.00 C ATOM 135 CE2 PHE A 9 4.009 11.969 5.499 1.00 0.00 C ATOM 136 CZ PHE A 9 4.981 11.660 6.432 1.00 0.00 C ATOM 0 H PHE A 9 -0.422 7.559 7.001 1.00 0.00 H new ATOM 0 HA PHE A 9 0.828 10.126 7.804 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.829 8.117 6.142 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.130 9.263 5.016 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.614 8.864 7.726 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.140 11.406 4.638 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.594 10.299 7.961 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.119 12.842 4.872 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.852 12.291 6.536 1.00 0.00 H new ATOM 146 N SER A 10 -1.129 11.328 6.843 1.00 0.00 N ATOM 147 CA SER A 10 -2.229 12.092 6.267 1.00 0.00 C ATOM 148 C SER A 10 -1.713 13.368 5.607 1.00 0.00 C ATOM 149 O SER A 10 -1.434 14.373 6.259 1.00 0.00 O ATOM 150 CB SER A 10 -3.264 12.411 7.349 1.00 0.00 C ATOM 151 OG SER A 10 -4.040 11.267 7.668 1.00 0.00 O ATOM 0 H SER A 10 -0.699 11.759 7.662 1.00 0.00 H new ATOM 0 HA SER A 10 -2.710 11.492 5.494 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.759 12.772 8.245 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.917 13.213 7.006 1.00 0.00 H new ATOM 0 HG SER A 10 -4.692 11.497 8.362 1.00 0.00 H new ATOM 157 N ALA A 11 -1.696 13.303 4.276 1.00 0.00 N ATOM 158 CA ALA A 11 -1.331 14.448 3.443 1.00 0.00 C ATOM 159 C ALA A 11 -1.206 14.041 1.979 1.00 0.00 C ATOM 160 O ALA A 11 -0.497 13.094 1.636 1.00 0.00 O ATOM 161 CB ALA A 11 -0.023 15.083 3.910 1.00 0.00 C ATOM 0 H ALA A 11 -1.933 12.463 3.749 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.130 15.183 3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.219 15.931 3.269 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.132 15.425 4.939 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.779 14.347 3.855 1.00 0.00 H new ATOM 167 N THR A 12 -1.960 14.730 1.132 1.00 0.00 N ATOM 168 CA THR A 12 -2.049 14.450 -0.294 1.00 0.00 C ATOM 169 C THR A 12 -0.969 15.084 -1.157 1.00 0.00 C ATOM 170 O THR A 12 -0.542 16.220 -0.955 1.00 0.00 O ATOM 171 CB THR A 12 -3.416 14.930 -0.790 1.00 0.00 C ATOM 172 OG1 THR A 12 -3.561 14.690 -2.179 1.00 0.00 O ATOM 173 CG2 THR A 12 -3.649 16.407 -0.553 1.00 0.00 C ATOM 0 H THR A 12 -2.539 15.517 1.425 1.00 0.00 H new ATOM 0 HA THR A 12 -1.907 13.374 -0.397 1.00 0.00 H new ATOM 0 HB THR A 12 -4.148 14.363 -0.215 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.442 15.002 -2.475 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.635 16.684 -0.927 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.593 16.617 0.515 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.887 16.984 -1.077 1.00 0.00 H new ATOM 181 N ALA A 13 -0.541 14.272 -2.122 1.00 0.00 N ATOM 182 CA ALA A 13 0.487 14.608 -3.097 1.00 0.00 C ATOM 183 C ALA A 13 0.128 13.878 -4.387 1.00 0.00 C ATOM 184 O ALA A 13 0.198 12.653 -4.427 1.00 0.00 O ATOM 185 CB ALA A 13 1.797 14.025 -2.594 1.00 0.00 C ATOM 0 H ALA A 13 -0.915 13.331 -2.248 1.00 0.00 H new ATOM 0 HA ALA A 13 0.565 15.684 -3.249 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.594 14.257 -3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.037 14.456 -1.622 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.701 12.944 -2.498 1.00 0.00 H new ATOM 191 N ASP A 14 -0.257 14.592 -5.431 1.00 0.00 N ATOM 192 CA ASP A 14 -0.659 14.082 -6.739 1.00 0.00 C ATOM 193 C ASP A 14 -0.957 12.578 -6.858 1.00 0.00 C ATOM 194 O ASP A 14 -2.041 12.126 -6.484 1.00 0.00 O ATOM 195 CB ASP A 14 0.358 14.517 -7.799 1.00 0.00 C ATOM 196 CG ASP A 14 -0.311 15.064 -9.043 1.00 0.00 C ATOM 197 OD1 ASP A 14 -1.004 16.096 -8.936 1.00 0.00 O ATOM 198 OD2 ASP A 14 -0.145 14.457 -10.123 1.00 0.00 O ATOM 0 H ASP A 14 -0.301 15.610 -5.389 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.637 14.534 -6.905 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.016 15.277 -7.378 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.985 13.667 -8.069 1.00 0.00 H new ATOM 203 N ASP A 15 0.018 11.798 -7.337 1.00 0.00 N ATOM 204 CA ASP A 15 -0.156 10.359 -7.486 1.00 0.00 C ATOM 205 C ASP A 15 0.381 9.576 -6.286 1.00 0.00 C ATOM 206 O ASP A 15 0.658 8.382 -6.397 1.00 0.00 O ATOM 207 CB ASP A 15 0.521 9.885 -8.776 1.00 0.00 C ATOM 208 CG ASP A 15 -0.474 9.625 -9.894 1.00 0.00 C ATOM 209 OD1 ASP A 15 -1.440 10.407 -10.023 1.00 0.00 O ATOM 210 OD2 ASP A 15 -0.284 8.642 -10.640 1.00 0.00 O ATOM 0 H ASP A 15 0.933 12.144 -7.626 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.227 10.164 -7.538 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.241 10.636 -9.102 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.082 8.973 -8.574 1.00 0.00 H new ATOM 215 N GLU A 16 0.466 10.227 -5.127 1.00 0.00 N ATOM 216 CA GLU A 16 0.914 9.567 -3.898 1.00 0.00 C ATOM 217 C GLU A 16 -0.292 9.304 -3.001 1.00 0.00 C ATOM 218 O GLU A 16 -0.930 10.240 -2.519 1.00 0.00 O ATOM 219 CB GLU A 16 1.946 10.430 -3.164 1.00 0.00 C ATOM 220 CG GLU A 16 3.369 9.901 -3.263 1.00 0.00 C ATOM 221 CD GLU A 16 4.401 11.012 -3.328 1.00 0.00 C ATOM 222 OE1 GLU A 16 4.614 11.683 -2.296 1.00 0.00 O ATOM 223 OE2 GLU A 16 4.994 11.212 -4.409 1.00 0.00 O ATOM 0 H GLU A 16 0.230 11.213 -5.011 1.00 0.00 H new ATOM 0 HA GLU A 16 1.390 8.620 -4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.915 11.441 -3.570 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.666 10.500 -2.113 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.578 9.266 -2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.459 9.274 -4.150 1.00 0.00 H new ATOM 230 N LEU A 17 -0.640 8.030 -2.829 1.00 0.00 N ATOM 231 CA LEU A 17 -1.802 7.644 -2.030 1.00 0.00 C ATOM 232 C LEU A 17 -1.503 7.688 -0.526 1.00 0.00 C ATOM 233 O LEU A 17 -0.624 6.979 -0.038 1.00 0.00 O ATOM 234 CB LEU A 17 -2.200 6.203 -2.353 1.00 0.00 C ATOM 235 CG LEU A 17 -3.614 6.047 -2.912 1.00 0.00 C ATOM 236 CD1 LEU A 17 -3.609 6.200 -4.424 1.00 0.00 C ATOM 237 CD2 LEU A 17 -4.202 4.703 -2.513 1.00 0.00 C ATOM 0 H LEU A 17 -0.131 7.244 -3.234 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.596 8.351 -2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.491 5.796 -3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.113 5.603 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.239 6.833 -2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.624 6.086 -4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.231 7.188 -4.689 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.968 5.436 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.209 4.611 -2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.577 3.901 -2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.243 4.632 -1.426 1.00 0.00 H new ATOM 249 N SER A 18 -2.313 8.444 0.208 1.00 0.00 N ATOM 250 CA SER A 18 -2.186 8.522 1.664 1.00 0.00 C ATOM 251 C SER A 18 -2.993 7.402 2.320 1.00 0.00 C ATOM 252 O SER A 18 -3.741 6.684 1.658 1.00 0.00 O ATOM 253 CB SER A 18 -2.681 9.882 2.161 1.00 0.00 C ATOM 254 OG SER A 18 -1.637 10.841 2.159 1.00 0.00 O ATOM 0 H SER A 18 -3.066 9.013 -0.179 1.00 0.00 H new ATOM 0 HA SER A 18 -1.136 8.407 1.933 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.497 10.228 1.527 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.082 9.779 3.169 1.00 0.00 H new ATOM 0 HG SER A 18 -1.835 11.539 1.500 1.00 0.00 H new ATOM 260 N PHE A 19 -2.807 7.255 3.635 1.00 0.00 N ATOM 261 CA PHE A 19 -3.522 6.210 4.378 1.00 0.00 C ATOM 262 C PHE A 19 -3.316 6.322 5.890 1.00 0.00 C ATOM 263 O PHE A 19 -2.681 7.252 6.392 1.00 0.00 O ATOM 264 CB PHE A 19 -3.099 4.812 3.919 1.00 0.00 C ATOM 265 CG PHE A 19 -1.610 4.629 3.856 1.00 0.00 C ATOM 266 CD1 PHE A 19 -0.876 5.175 2.814 1.00 0.00 C ATOM 267 CD2 PHE A 19 -0.941 3.916 4.838 1.00 0.00 C ATOM 268 CE1 PHE A 19 0.490 5.013 2.750 1.00 0.00 C ATOM 269 CE2 PHE A 19 0.429 3.750 4.778 1.00 0.00 C ATOM 270 CZ PHE A 19 1.143 4.300 3.729 1.00 0.00 C ATOM 0 H PHE A 19 -2.182 7.832 4.198 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.580 6.361 4.163 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.520 4.072 4.599 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.523 4.617 2.934 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.383 5.735 2.042 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.496 3.486 5.658 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.048 5.445 1.932 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.941 3.192 5.548 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.214 4.170 3.678 1.00 0.00 H new ATOM 280 N ARG A 20 -3.883 5.335 6.598 1.00 0.00 N ATOM 281 CA ARG A 20 -3.794 5.258 8.052 1.00 0.00 C ATOM 282 C ARG A 20 -2.966 4.040 8.475 1.00 0.00 C ATOM 283 O ARG A 20 -2.961 3.014 7.787 1.00 0.00 O ATOM 284 CB ARG A 20 -5.190 5.182 8.675 1.00 0.00 C ATOM 285 CG ARG A 20 -6.102 4.162 8.011 1.00 0.00 C ATOM 286 CD ARG A 20 -7.300 4.832 7.358 1.00 0.00 C ATOM 287 NE ARG A 20 -8.208 5.394 8.351 1.00 0.00 N ATOM 288 CZ ARG A 20 -9.093 6.355 8.094 1.00 0.00 C ATOM 289 NH1 ARG A 20 -9.164 6.899 6.885 1.00 0.00 N ATOM 290 NH2 ARG A 20 -9.901 6.781 9.055 1.00 0.00 N ATOM 0 H ARG A 20 -4.413 4.573 6.175 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.300 6.161 8.410 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.093 4.936 9.732 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.657 6.165 8.618 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.541 3.604 7.261 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.446 3.441 8.753 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.957 5.622 6.690 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.834 4.106 6.745 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.162 5.028 9.302 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.538 6.581 6.145 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.845 7.635 6.696 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.844 6.373 9.988 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.580 7.517 8.861 1.00 0.00 H new ATOM 304 N LYS A 21 -2.330 4.117 9.637 1.00 0.00 N ATOM 305 CA LYS A 21 -1.554 3.007 10.164 1.00 0.00 C ATOM 306 C LYS A 21 -2.430 1.766 10.288 1.00 0.00 C ATOM 307 O LYS A 21 -3.569 1.840 10.742 1.00 0.00 O ATOM 308 CB LYS A 21 -0.992 3.365 11.547 1.00 0.00 C ATOM 309 CG LYS A 21 0.160 2.482 12.005 1.00 0.00 C ATOM 310 CD LYS A 21 0.381 2.601 13.504 1.00 0.00 C ATOM 311 CE LYS A 21 -0.655 1.809 14.285 1.00 0.00 C ATOM 312 NZ LYS A 21 -1.800 2.660 14.715 1.00 0.00 N ATOM 0 H LYS A 21 -2.338 4.944 10.234 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.732 2.805 9.478 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.655 4.402 11.532 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.796 3.302 12.280 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.049 1.444 11.747 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.071 2.765 11.477 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.379 2.243 13.755 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.336 3.650 13.797 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.024 0.989 13.669 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.185 1.363 15.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.848 2.679 15.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.667 3.627 14.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.685 2.269 14.335 1.00 0.00 H new ATOM 326 N THR A 22 -1.873 0.620 9.903 1.00 0.00 N ATOM 327 CA THR A 22 -2.534 -0.675 10.012 1.00 0.00 C ATOM 328 C THR A 22 -3.558 -0.947 8.917 1.00 0.00 C ATOM 329 O THR A 22 -3.793 -2.106 8.575 1.00 0.00 O ATOM 330 CB THR A 22 -3.191 -0.811 11.395 1.00 0.00 C ATOM 331 OG1 THR A 22 -2.495 -0.061 12.383 1.00 0.00 O ATOM 332 CG2 THR A 22 -3.250 -2.241 11.898 1.00 0.00 C ATOM 0 H THR A 22 -0.937 0.566 9.501 1.00 0.00 H new ATOM 0 HA THR A 22 -1.754 -1.425 9.884 1.00 0.00 H new ATOM 0 HB THR A 22 -4.203 -0.434 11.249 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.825 -0.631 12.815 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.726 -2.262 12.879 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.828 -2.848 11.201 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.239 -2.641 11.976 1.00 0.00 H new ATOM 340 N GLN A 23 -4.186 0.093 8.371 1.00 0.00 N ATOM 341 CA GLN A 23 -5.187 -0.134 7.338 1.00 0.00 C ATOM 342 C GLN A 23 -4.574 -0.818 6.122 1.00 0.00 C ATOM 343 O GLN A 23 -3.459 -0.500 5.707 1.00 0.00 O ATOM 344 CB GLN A 23 -5.927 1.154 6.960 1.00 0.00 C ATOM 345 CG GLN A 23 -7.022 0.955 5.923 1.00 0.00 C ATOM 346 CD GLN A 23 -6.973 1.995 4.818 1.00 0.00 C ATOM 347 OE1 GLN A 23 -5.946 2.174 4.163 1.00 0.00 O ATOM 348 NE2 GLN A 23 -8.086 2.692 4.609 1.00 0.00 N ATOM 0 H GLN A 23 -4.025 1.070 8.618 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.936 -0.809 7.752 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.366 1.586 7.859 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.206 1.877 6.578 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.928 -0.039 5.486 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.994 0.997 6.414 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.915 2.511 5.175 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.111 3.407 3.882 1.00 0.00 H new ATOM 357 N ILE A 24 -5.301 -1.803 5.590 1.00 0.00 N ATOM 358 CA ILE A 24 -4.825 -2.587 4.454 1.00 0.00 C ATOM 359 C ILE A 24 -5.171 -1.941 3.121 1.00 0.00 C ATOM 360 O ILE A 24 -6.248 -1.373 2.944 1.00 0.00 O ATOM 361 CB ILE A 24 -5.394 -4.022 4.480 1.00 0.00 C ATOM 362 CG1 ILE A 24 -6.900 -4.001 4.761 1.00 0.00 C ATOM 363 CG2 ILE A 24 -4.665 -4.861 5.520 1.00 0.00 C ATOM 364 CD1 ILE A 24 -7.578 -5.334 4.530 1.00 0.00 C ATOM 0 H ILE A 24 -6.223 -2.075 5.930 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.740 -2.625 4.550 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.238 -4.474 3.500 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.064 -3.693 5.794 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.369 -3.249 4.126 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.077 -5.870 5.527 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.604 -4.904 5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.792 -4.411 6.505 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.642 -5.244 4.749 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.445 -5.634 3.491 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.136 -6.085 5.184 1.00 0.00 H new ATOM 376 N LEU A 25 -4.235 -2.047 2.188 1.00 0.00 N ATOM 377 CA LEU A 25 -4.386 -1.483 0.855 1.00 0.00 C ATOM 378 C LEU A 25 -4.466 -2.585 -0.195 1.00 0.00 C ATOM 379 O LEU A 25 -3.925 -3.675 -0.005 1.00 0.00 O ATOM 380 CB LEU A 25 -3.187 -0.582 0.546 1.00 0.00 C ATOM 381 CG LEU A 25 -2.684 0.280 1.703 1.00 0.00 C ATOM 382 CD1 LEU A 25 -3.827 0.992 2.415 1.00 0.00 C ATOM 383 CD2 LEU A 25 -1.892 -0.561 2.676 1.00 0.00 C ATOM 0 H LEU A 25 -3.348 -2.528 2.335 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.310 -0.905 0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.365 -1.209 0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.455 0.075 -0.281 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.032 1.048 1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.428 1.595 3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.349 1.638 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.522 0.254 2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.540 0.065 3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.527 -1.354 3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.037 -1.003 2.163 1.00 0.00 H new ATOM 395 N LYS A 26 -5.132 -2.301 -1.301 1.00 0.00 N ATOM 396 CA LYS A 26 -5.286 -3.232 -2.410 1.00 0.00 C ATOM 397 C LYS A 26 -4.072 -3.111 -3.330 1.00 0.00 C ATOM 398 O LYS A 26 -3.596 -2.004 -3.575 1.00 0.00 O ATOM 399 CB LYS A 26 -6.534 -2.860 -3.208 1.00 0.00 C ATOM 400 CG LYS A 26 -7.735 -2.455 -2.358 1.00 0.00 C ATOM 401 CD LYS A 26 -8.227 -3.603 -1.492 1.00 0.00 C ATOM 402 CE LYS A 26 -9.275 -3.136 -0.492 1.00 0.00 C ATOM 403 NZ LYS A 26 -8.659 -2.531 0.720 1.00 0.00 N ATOM 0 H LYS A 26 -5.589 -1.403 -1.458 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.374 -4.249 -2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.288 -2.038 -3.880 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.817 -3.708 -3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.463 -1.612 -1.723 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.543 -2.118 -3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.649 -4.383 -2.125 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.385 -4.045 -0.959 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.931 -2.407 -0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.898 -3.981 -0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.408 -2.227 1.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.053 -3.234 1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.085 -1.709 0.444 1.00 0.00 H new ATOM 417 N ILE A 27 -3.498 -4.236 -3.748 1.00 0.00 N ATOM 418 CA ILE A 27 -2.302 -4.184 -4.586 1.00 0.00 C ATOM 419 C ILE A 27 -2.601 -4.681 -5.994 1.00 0.00 C ATOM 420 O ILE A 27 -3.336 -5.655 -6.163 1.00 0.00 O ATOM 421 CB ILE A 27 -1.106 -4.949 -3.969 1.00 0.00 C ATOM 422 CG1 ILE A 27 0.197 -4.596 -4.717 1.00 0.00 C ATOM 423 CG2 ILE A 27 -1.370 -6.456 -3.940 1.00 0.00 C ATOM 424 CD1 ILE A 27 0.678 -5.623 -5.724 1.00 0.00 C ATOM 0 H ILE A 27 -3.831 -5.174 -3.527 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.006 -3.137 -4.644 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.985 -4.635 -2.932 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.051 -3.648 -5.235 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.985 -4.439 -3.981 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.513 -6.967 -3.502 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.258 -6.658 -3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.527 -6.817 -4.956 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.599 -5.273 -6.189 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.865 -6.570 -5.217 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.084 -5.766 -6.490 1.00 0.00 H new ATOM 436 N LEU A 28 -2.129 -3.960 -7.012 1.00 0.00 N ATOM 437 CA LEU A 28 -2.454 -4.302 -8.394 1.00 0.00 C ATOM 438 C LEU A 28 -1.493 -5.307 -9.018 1.00 0.00 C ATOM 439 O LEU A 28 -1.905 -6.392 -9.426 1.00 0.00 O ATOM 440 CB LEU A 28 -2.473 -3.027 -9.241 1.00 0.00 C ATOM 441 CG LEU A 28 -3.589 -2.957 -10.284 1.00 0.00 C ATOM 442 CD1 LEU A 28 -4.911 -2.581 -9.629 1.00 0.00 C ATOM 443 CD2 LEU A 28 -3.227 -1.965 -11.381 1.00 0.00 C ATOM 0 H LEU A 28 -1.526 -3.144 -6.906 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.435 -4.778 -8.375 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.565 -2.169 -8.575 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.514 -2.934 -9.751 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.704 -3.942 -10.737 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.693 -2.536 -10.387 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.173 -3.330 -8.882 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.815 -1.607 -9.149 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.031 -1.926 -12.116 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.086 -0.976 -10.945 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.305 -2.282 -11.868 1.00 0.00 H new ATOM 455 N ASN A 29 -0.210 -4.969 -9.057 1.00 0.00 N ATOM 456 CA ASN A 29 0.811 -5.848 -9.613 1.00 0.00 C ATOM 457 C ASN A 29 2.043 -5.796 -8.718 1.00 0.00 C ATOM 458 O ASN A 29 2.480 -4.708 -8.340 1.00 0.00 O ATOM 459 CB ASN A 29 1.175 -5.378 -11.024 1.00 0.00 C ATOM 460 CG ASN A 29 0.678 -6.330 -12.093 1.00 0.00 C ATOM 461 OD1 ASN A 29 1.309 -7.348 -12.375 1.00 0.00 O ATOM 462 ND2 ASN A 29 -0.459 -5.999 -12.695 1.00 0.00 N ATOM 0 H ASN A 29 0.151 -4.082 -8.706 1.00 0.00 H new ATOM 0 HA ASN A 29 0.437 -6.870 -9.664 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.751 -4.389 -11.196 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.258 -5.279 -11.104 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.843 -6.599 -13.424 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.948 -5.144 -12.428 1.00 0.00 H new ATOM 469 N MET A 30 2.597 -6.943 -8.344 1.00 0.00 N ATOM 470 CA MET A 30 3.763 -6.997 -7.472 1.00 0.00 C ATOM 471 C MET A 30 4.924 -7.798 -8.047 1.00 0.00 C ATOM 472 O MET A 30 4.811 -9.012 -8.209 1.00 0.00 O ATOM 473 CB MET A 30 3.363 -7.536 -6.098 1.00 0.00 C ATOM 474 CG MET A 30 2.446 -8.748 -6.149 1.00 0.00 C ATOM 475 SD MET A 30 3.349 -10.303 -6.055 1.00 0.00 S ATOM 476 CE MET A 30 3.495 -10.508 -4.282 1.00 0.00 C ATOM 0 H MET A 30 2.252 -7.858 -8.635 1.00 0.00 H new ATOM 0 HA MET A 30 4.127 -5.974 -7.378 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.265 -7.800 -5.546 1.00 0.00 H new ATOM 0 HB3 MET A 30 2.868 -6.742 -5.538 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.734 -8.695 -5.326 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.868 -8.723 -7.073 1.00 0.00 H new ATOM 0 HE1 MET A 30 4.033 -11.431 -4.066 1.00 0.00 H new ATOM 0 HE2 MET A 30 4.040 -9.663 -3.862 1.00 0.00 H new ATOM 0 HE3 MET A 30 2.501 -10.555 -3.838 1.00 0.00 H new ATOM 536 N ASN A 35 10.796 -1.078 -3.959 1.00 0.00 N ATOM 537 CA ASN A 35 10.682 0.003 -2.983 1.00 0.00 C ATOM 538 C ASN A 35 9.389 0.800 -3.181 1.00 0.00 C ATOM 539 O ASN A 35 8.849 1.365 -2.229 1.00 0.00 O ATOM 540 CB ASN A 35 11.856 0.957 -3.154 1.00 0.00 C ATOM 541 CG ASN A 35 11.973 1.938 -2.007 1.00 0.00 C ATOM 542 OD1 ASN A 35 12.216 1.550 -0.864 1.00 0.00 O ATOM 543 ND2 ASN A 35 11.797 3.219 -2.311 1.00 0.00 N ATOM 0 HA ASN A 35 10.676 -0.442 -1.988 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.779 0.383 -3.233 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.741 1.506 -4.088 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.861 3.930 -1.582 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.598 3.492 -3.273 1.00 0.00 H new ATOM 550 N TRP A 36 8.901 0.842 -4.417 1.00 0.00 N ATOM 551 CA TRP A 36 7.678 1.578 -4.740 1.00 0.00 C ATOM 552 C TRP A 36 6.589 0.642 -5.243 1.00 0.00 C ATOM 553 O TRP A 36 6.807 -0.126 -6.178 1.00 0.00 O ATOM 554 CB TRP A 36 7.970 2.633 -5.803 1.00 0.00 C ATOM 555 CG TRP A 36 8.472 3.925 -5.245 1.00 0.00 C ATOM 556 CD1 TRP A 36 8.130 4.498 -4.055 1.00 0.00 C ATOM 557 CD2 TRP A 36 9.410 4.808 -5.863 1.00 0.00 C ATOM 558 NE1 TRP A 36 8.806 5.685 -3.893 1.00 0.00 N ATOM 559 CE2 TRP A 36 9.597 5.897 -4.993 1.00 0.00 C ATOM 560 CE3 TRP A 36 10.110 4.783 -7.072 1.00 0.00 C ATOM 561 CZ2 TRP A 36 10.461 6.948 -5.291 1.00 0.00 C ATOM 562 CZ3 TRP A 36 10.966 5.825 -7.368 1.00 0.00 C ATOM 563 CH2 TRP A 36 11.134 6.896 -6.481 1.00 0.00 C ATOM 0 H TRP A 36 9.333 0.375 -5.214 1.00 0.00 H new ATOM 0 HA TRP A 36 7.326 2.060 -3.828 1.00 0.00 H new ATOM 0 HB2 TRP A 36 8.708 2.238 -6.501 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.061 2.823 -6.373 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.431 4.081 -3.345 1.00 0.00 H new ATOM 0 HE1 TRP A 36 8.731 6.306 -3.087 1.00 0.00 H new ATOM 0 HE3 TRP A 36 9.984 3.963 -7.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 10.595 7.774 -4.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 11.515 5.814 -8.298 1.00 0.00 H new ATOM 0 HH2 TRP A 36 11.809 7.698 -6.742 1.00 0.00 H new ATOM 574 N TYR A 37 5.446 0.638 -4.562 1.00 0.00 N ATOM 575 CA TYR A 37 4.370 -0.272 -4.936 1.00 0.00 C ATOM 576 C TYR A 37 3.098 0.454 -5.381 1.00 0.00 C ATOM 577 O TYR A 37 2.797 1.549 -4.904 1.00 0.00 O ATOM 578 CB TYR A 37 4.066 -1.224 -3.781 1.00 0.00 C ATOM 579 CG TYR A 37 4.905 -2.480 -3.822 1.00 0.00 C ATOM 580 CD1 TYR A 37 6.290 -2.415 -3.771 1.00 0.00 C ATOM 581 CD2 TYR A 37 4.311 -3.730 -3.928 1.00 0.00 C ATOM 582 CE1 TYR A 37 7.058 -3.562 -3.823 1.00 0.00 C ATOM 583 CE2 TYR A 37 5.073 -4.881 -3.979 1.00 0.00 C ATOM 584 CZ TYR A 37 6.446 -4.791 -3.928 1.00 0.00 C ATOM 585 OH TYR A 37 7.210 -5.936 -3.982 1.00 0.00 O ATOM 0 H TYR A 37 5.244 1.241 -3.765 1.00 0.00 H new ATOM 0 HA TYR A 37 4.719 -0.840 -5.799 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.238 -0.708 -2.836 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.011 -1.496 -3.808 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.775 -1.453 -3.689 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.234 -3.804 -3.971 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.135 -3.495 -3.781 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.595 -5.846 -4.058 1.00 0.00 H new ATOM 0 HH TYR A 37 6.623 -6.718 -4.054 1.00 0.00 H new ATOM 595 N ARG A 38 2.414 -0.107 -6.375 1.00 0.00 N ATOM 596 CA ARG A 38 1.193 0.500 -6.899 1.00 0.00 C ATOM 597 C ARG A 38 0.030 -0.124 -6.136 1.00 0.00 C ATOM 598 O ARG A 38 -0.291 -1.301 -6.318 1.00 0.00 O ATOM 599 CB ARG A 38 1.062 0.270 -8.408 1.00 0.00 C ATOM 600 CG ARG A 38 1.495 1.462 -9.248 1.00 0.00 C ATOM 601 CD ARG A 38 0.409 2.525 -9.320 1.00 0.00 C ATOM 602 NE ARG A 38 -0.803 2.020 -9.961 1.00 0.00 N ATOM 603 CZ ARG A 38 -1.536 2.709 -10.831 1.00 0.00 C ATOM 604 NH1 ARG A 38 -1.216 3.960 -11.148 1.00 0.00 N ATOM 605 NH2 ARG A 38 -2.603 2.146 -11.380 1.00 0.00 N ATOM 0 H ARG A 38 2.683 -0.978 -6.833 1.00 0.00 H new ATOM 0 HA ARG A 38 1.207 1.581 -6.760 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.661 -0.597 -8.688 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.025 0.030 -8.641 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.401 1.896 -8.824 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.743 1.126 -10.255 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.171 2.870 -8.314 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.781 3.387 -9.873 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.107 1.075 -9.725 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.401 4.401 -10.723 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.786 4.478 -11.817 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.858 1.189 -11.135 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.169 2.669 -12.048 1.00 0.00 H new ATOM 619 N ALA A 39 -0.594 0.675 -5.275 1.00 0.00 N ATOM 620 CA ALA A 39 -1.718 0.210 -4.469 1.00 0.00 C ATOM 621 C ALA A 39 -3.029 0.855 -4.905 1.00 0.00 C ATOM 622 O ALA A 39 -3.048 1.762 -5.737 1.00 0.00 O ATOM 623 CB ALA A 39 -1.460 0.448 -2.991 1.00 0.00 C ATOM 0 H ALA A 39 -0.339 1.650 -5.118 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.814 -0.864 -4.630 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.312 0.093 -2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.564 -0.092 -2.687 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.319 1.514 -2.813 1.00 0.00 H new ATOM 629 N GLU A 40 -4.119 0.363 -4.332 1.00 0.00 N ATOM 630 CA GLU A 40 -5.440 0.875 -4.657 1.00 0.00 C ATOM 631 C GLU A 40 -6.241 1.106 -3.376 1.00 0.00 C ATOM 632 O GLU A 40 -5.942 0.524 -2.332 1.00 0.00 O ATOM 633 CB GLU A 40 -6.129 -0.091 -5.646 1.00 0.00 C ATOM 634 CG GLU A 40 -7.452 -0.695 -5.191 1.00 0.00 C ATOM 635 CD GLU A 40 -7.798 -1.952 -5.976 1.00 0.00 C ATOM 636 OE1 GLU A 40 -7.353 -2.065 -7.139 1.00 0.00 O ATOM 637 OE2 GLU A 40 -8.510 -2.823 -5.431 1.00 0.00 O ATOM 0 H GLU A 40 -4.113 -0.388 -3.642 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.368 1.844 -5.151 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.300 0.442 -6.581 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.439 -0.906 -5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.397 -0.933 -4.129 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.248 0.040 -5.312 1.00 0.00 H new ATOM 644 N LEU A 41 -7.181 2.038 -3.437 1.00 0.00 N ATOM 645 CA LEU A 41 -7.970 2.406 -2.268 1.00 0.00 C ATOM 646 C LEU A 41 -9.236 3.131 -2.704 1.00 0.00 C ATOM 647 O LEU A 41 -9.180 4.058 -3.512 1.00 0.00 O ATOM 648 CB LEU A 41 -7.130 3.288 -1.331 1.00 0.00 C ATOM 649 CG LEU A 41 -7.810 3.714 -0.027 1.00 0.00 C ATOM 650 CD1 LEU A 41 -8.048 2.510 0.871 1.00 0.00 C ATOM 651 CD2 LEU A 41 -6.966 4.758 0.693 1.00 0.00 C ATOM 0 H LEU A 41 -7.417 2.554 -4.284 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.260 1.505 -1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.214 2.752 -1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.836 4.186 -1.875 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.776 4.156 -0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.532 2.833 1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.689 1.794 0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.094 2.039 1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.462 5.052 1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.987 4.338 0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.845 5.632 0.053 1.00 0.00 H new ATOM 663 N ASP A 42 -10.374 2.715 -2.161 1.00 0.00 N ATOM 664 CA ASP A 42 -11.652 3.335 -2.491 1.00 0.00 C ATOM 665 C ASP A 42 -11.912 3.315 -4.001 1.00 0.00 C ATOM 666 O ASP A 42 -12.536 2.386 -4.516 1.00 0.00 O ATOM 667 CB ASP A 42 -11.685 4.770 -1.955 1.00 0.00 C ATOM 668 CG ASP A 42 -13.044 5.156 -1.412 1.00 0.00 C ATOM 669 OD1 ASP A 42 -13.531 4.472 -0.488 1.00 0.00 O ATOM 670 OD2 ASP A 42 -13.620 6.144 -1.912 1.00 0.00 O ATOM 0 H ASP A 42 -10.438 1.950 -1.489 1.00 0.00 H new ATOM 0 HA ASP A 42 -12.446 2.758 -2.017 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.939 4.877 -1.167 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.407 5.459 -2.753 1.00 0.00 H new ATOM 675 N GLY A 43 -11.436 4.340 -4.709 1.00 0.00 N ATOM 676 CA GLY A 43 -11.639 4.410 -6.141 1.00 0.00 C ATOM 677 C GLY A 43 -10.461 5.028 -6.868 1.00 0.00 C ATOM 678 O GLY A 43 -10.618 5.555 -7.970 1.00 0.00 O ATOM 0 H GLY A 43 -10.914 5.121 -4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.814 3.406 -6.529 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.536 4.993 -6.349 1.00 0.00 H new ATOM 682 N LYS A 44 -9.300 5.050 -6.220 1.00 0.00 N ATOM 683 CA LYS A 44 -8.115 5.669 -6.799 1.00 0.00 C ATOM 684 C LYS A 44 -6.902 4.756 -6.665 1.00 0.00 C ATOM 685 O LYS A 44 -6.637 4.218 -5.590 1.00 0.00 O ATOM 686 CB LYS A 44 -7.814 6.983 -6.082 1.00 0.00 C ATOM 687 CG LYS A 44 -8.730 8.123 -6.482 1.00 0.00 C ATOM 688 CD LYS A 44 -8.004 9.458 -6.436 1.00 0.00 C ATOM 689 CE LYS A 44 -8.957 10.621 -6.660 1.00 0.00 C ATOM 690 NZ LYS A 44 -10.049 10.649 -5.648 1.00 0.00 N ATOM 0 H LYS A 44 -9.156 4.646 -5.294 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.314 5.850 -7.855 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.894 6.826 -5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.782 7.269 -6.286 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.112 7.949 -7.488 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.591 8.152 -5.814 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.511 9.572 -5.471 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.223 9.475 -7.197 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.401 11.558 -6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.389 10.549 -7.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.176 11.621 -5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.934 10.317 -6.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.800 10.028 -4.852 1.00 0.00 H new ATOM 704 N GLU A 45 -6.143 4.618 -7.742 1.00 0.00 N ATOM 705 CA GLU A 45 -4.940 3.795 -7.719 1.00 0.00 C ATOM 706 C GLU A 45 -3.697 4.677 -7.692 1.00 0.00 C ATOM 707 O GLU A 45 -3.601 5.613 -8.487 1.00 0.00 O ATOM 708 CB GLU A 45 -4.904 2.874 -8.934 1.00 0.00 C ATOM 709 CG GLU A 45 -4.894 3.624 -10.252 1.00 0.00 C ATOM 710 CD GLU A 45 -5.860 3.041 -11.266 1.00 0.00 C ATOM 711 OE1 GLU A 45 -6.043 1.805 -11.270 1.00 0.00 O ATOM 712 OE2 GLU A 45 -6.434 3.822 -12.052 1.00 0.00 O ATOM 0 H GLU A 45 -6.336 5.062 -8.640 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.956 3.183 -6.817 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.018 2.242 -8.876 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.770 2.213 -8.906 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.149 4.668 -10.073 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.886 3.608 -10.666 1.00 0.00 H new ATOM 719 N GLY A 46 -2.749 4.420 -6.794 1.00 0.00 N ATOM 720 CA GLY A 46 -1.579 5.281 -6.764 1.00 0.00 C ATOM 721 C GLY A 46 -0.366 4.735 -6.030 1.00 0.00 C ATOM 722 O GLY A 46 -0.488 3.909 -5.123 1.00 0.00 O ATOM 0 H GLY A 46 -2.765 3.662 -6.112 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.288 5.501 -7.791 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.861 6.228 -6.303 1.00 0.00 H new ATOM 726 N LEU A 47 0.808 5.222 -6.427 1.00 0.00 N ATOM 727 CA LEU A 47 2.091 4.822 -5.847 1.00 0.00 C ATOM 728 C LEU A 47 2.134 5.031 -4.330 1.00 0.00 C ATOM 729 O LEU A 47 1.524 5.958 -3.800 1.00 0.00 O ATOM 730 CB LEU A 47 3.201 5.660 -6.497 1.00 0.00 C ATOM 731 CG LEU A 47 4.220 4.889 -7.342 1.00 0.00 C ATOM 732 CD1 LEU A 47 4.993 3.904 -6.484 1.00 0.00 C ATOM 733 CD2 LEU A 47 3.534 4.178 -8.495 1.00 0.00 C ATOM 0 H LEU A 47 0.897 5.915 -7.170 1.00 0.00 H new ATOM 0 HA LEU A 47 2.231 3.758 -6.037 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.735 6.417 -7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.738 6.188 -5.709 1.00 0.00 H new ATOM 0 HG LEU A 47 4.929 5.605 -7.759 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.711 3.367 -7.104 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.523 4.443 -5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.301 3.193 -6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.276 3.637 -9.082 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.798 3.475 -8.103 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.034 4.911 -9.129 1.00 0.00 H new ATOM 745 N ILE A 48 2.869 4.154 -3.646 1.00 0.00 N ATOM 746 CA ILE A 48 3.012 4.221 -2.192 1.00 0.00 C ATOM 747 C ILE A 48 4.333 3.584 -1.743 1.00 0.00 C ATOM 748 O ILE A 48 5.132 3.162 -2.580 1.00 0.00 O ATOM 749 CB ILE A 48 1.822 3.533 -1.480 1.00 0.00 C ATOM 750 CG1 ILE A 48 1.294 2.340 -2.278 1.00 0.00 C ATOM 751 CG2 ILE A 48 0.710 4.540 -1.238 1.00 0.00 C ATOM 752 CD1 ILE A 48 2.105 1.070 -2.102 1.00 0.00 C ATOM 0 H ILE A 48 3.378 3.384 -4.080 1.00 0.00 H new ATOM 0 HA ILE A 48 3.018 5.274 -1.911 1.00 0.00 H new ATOM 0 HB ILE A 48 2.181 3.153 -0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.264 2.145 -1.980 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.276 2.603 -3.336 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.124 4.048 -0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.083 5.350 -0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.372 4.945 -2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.666 0.272 -2.700 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.130 1.245 -2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.103 0.779 -1.051 1.00 0.00 H new ATOM 764 N PRO A 49 4.550 3.412 -0.419 1.00 0.00 N ATOM 765 CA PRO A 49 5.764 2.807 0.102 1.00 0.00 C ATOM 766 C PRO A 49 5.650 1.337 0.482 1.00 0.00 C ATOM 767 O PRO A 49 4.677 0.904 1.100 1.00 0.00 O ATOM 768 CB PRO A 49 5.991 3.637 1.354 1.00 0.00 C ATOM 769 CG PRO A 49 4.613 3.930 1.859 1.00 0.00 C ATOM 770 CD PRO A 49 3.663 3.794 0.691 1.00 0.00 C ATOM 0 HA PRO A 49 6.558 2.810 -0.644 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.577 3.090 2.093 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.536 4.554 1.130 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.342 3.238 2.656 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.564 4.935 2.278 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.901 3.037 0.877 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.140 4.728 0.486 1.00 0.00 H new ATOM 778 N SER A 50 6.641 0.578 0.044 1.00 0.00 N ATOM 779 CA SER A 50 6.693 -0.844 0.349 1.00 0.00 C ATOM 780 C SER A 50 7.041 -1.011 1.835 1.00 0.00 C ATOM 781 O SER A 50 6.640 -1.980 2.477 1.00 0.00 O ATOM 782 CB SER A 50 7.706 -1.556 -0.545 1.00 0.00 C ATOM 783 OG SER A 50 7.722 -0.979 -1.832 1.00 0.00 O ATOM 0 H SER A 50 7.418 0.920 -0.522 1.00 0.00 H new ATOM 0 HA SER A 50 5.723 -1.301 0.153 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.699 -1.494 -0.100 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.455 -2.614 -0.618 1.00 0.00 H new ATOM 0 HG SER A 50 7.606 -1.680 -2.506 1.00 0.00 H new ATOM 789 N ASN A 51 7.802 -0.045 2.361 1.00 0.00 N ATOM 790 CA ASN A 51 8.238 -0.063 3.762 1.00 0.00 C ATOM 791 C ASN A 51 7.096 0.214 4.748 1.00 0.00 C ATOM 792 O ASN A 51 7.223 -0.069 5.940 1.00 0.00 O ATOM 793 CB ASN A 51 9.325 0.997 3.964 1.00 0.00 C ATOM 794 CG ASN A 51 10.694 0.399 4.215 1.00 0.00 C ATOM 795 OD1 ASN A 51 11.040 0.064 5.348 1.00 0.00 O ATOM 796 ND2 ASN A 51 11.484 0.267 3.155 1.00 0.00 N ATOM 0 H ASN A 51 8.131 0.764 1.834 1.00 0.00 H new ATOM 0 HA ASN A 51 8.614 -1.066 3.966 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.370 1.636 3.082 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.052 1.633 4.806 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.419 -0.126 3.262 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.155 0.558 2.234 1.00 0.00 H new ATOM 803 N TYR A 52 5.975 0.733 4.254 1.00 0.00 N ATOM 804 CA TYR A 52 4.820 1.011 5.112 1.00 0.00 C ATOM 805 C TYR A 52 3.850 -0.175 5.114 1.00 0.00 C ATOM 806 O TYR A 52 2.945 -0.246 5.961 1.00 0.00 O ATOM 807 CB TYR A 52 4.073 2.249 4.619 1.00 0.00 C ATOM 808 CG TYR A 52 4.698 3.580 5.006 1.00 0.00 C ATOM 809 CD1 TYR A 52 6.076 3.748 5.063 1.00 0.00 C ATOM 810 CD2 TYR A 52 3.897 4.679 5.299 1.00 0.00 C ATOM 811 CE1 TYR A 52 6.633 4.970 5.405 1.00 0.00 C ATOM 812 CE2 TYR A 52 4.445 5.899 5.637 1.00 0.00 C ATOM 813 CZ TYR A 52 5.812 6.040 5.691 1.00 0.00 C ATOM 814 OH TYR A 52 6.359 7.257 6.032 1.00 0.00 O ATOM 0 H TYR A 52 5.839 0.969 3.271 1.00 0.00 H new ATOM 0 HA TYR A 52 5.192 1.182 6.122 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.002 2.202 3.532 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.055 2.218 5.007 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.723 2.913 4.837 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.823 4.575 5.261 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.706 5.084 5.447 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.804 6.739 5.858 1.00 0.00 H new ATOM 0 HH TYR A 52 5.641 7.902 6.201 1.00 0.00 H new ATOM 824 N ILE A 53 4.129 -1.166 4.252 1.00 0.00 N ATOM 825 CA ILE A 53 3.311 -2.374 4.154 1.00 0.00 C ATOM 826 C ILE A 53 4.147 -3.646 4.209 1.00 0.00 C ATOM 827 O ILE A 53 5.355 -3.633 3.969 1.00 0.00 O ATOM 828 CB ILE A 53 2.522 -2.389 2.793 1.00 0.00 C ATOM 829 CG1 ILE A 53 3.363 -2.988 1.651 1.00 0.00 C ATOM 830 CG2 ILE A 53 2.081 -0.988 2.383 1.00 0.00 C ATOM 831 CD1 ILE A 53 2.543 -3.412 0.447 1.00 0.00 C ATOM 0 H ILE A 53 4.922 -1.148 3.611 1.00 0.00 H new ATOM 0 HA ILE A 53 2.632 -2.353 5.007 1.00 0.00 H new ATOM 0 HB ILE A 53 1.644 -3.013 2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.104 -2.254 1.334 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.910 -3.852 2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.539 -1.039 1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.431 -0.572 3.152 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.957 -0.351 2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.203 -3.824 -0.316 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.819 -4.169 0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.016 -2.547 0.043 1.00 0.00 H new ATOM 843 N GLU A 54 3.462 -4.757 4.508 1.00 0.00 N ATOM 844 CA GLU A 54 4.046 -6.088 4.590 1.00 0.00 C ATOM 845 C GLU A 54 3.029 -7.137 4.122 1.00 0.00 C ATOM 846 O GLU A 54 1.831 -6.985 4.371 1.00 0.00 O ATOM 847 CB GLU A 54 4.446 -6.421 6.029 1.00 0.00 C ATOM 848 CG GLU A 54 5.750 -7.194 6.130 1.00 0.00 C ATOM 849 CD GLU A 54 6.617 -6.725 7.280 1.00 0.00 C ATOM 850 OE1 GLU A 54 7.054 -5.554 7.256 1.00 0.00 O ATOM 851 OE2 GLU A 54 6.859 -7.526 8.205 1.00 0.00 O ATOM 0 H GLU A 54 2.461 -4.747 4.703 1.00 0.00 H new ATOM 0 HA GLU A 54 4.930 -6.102 3.952 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.537 -5.495 6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.650 -7.003 6.494 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.531 -8.255 6.254 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.303 -7.090 5.197 1.00 0.00 H new ATOM 858 N MET A 55 3.491 -8.221 3.504 1.00 0.00 N ATOM 859 CA MET A 55 2.580 -9.266 3.036 1.00 0.00 C ATOM 860 C MET A 55 1.889 -9.995 4.188 1.00 0.00 C ATOM 861 O MET A 55 2.546 -10.575 5.053 1.00 0.00 O ATOM 862 CB MET A 55 3.336 -10.271 2.160 1.00 0.00 C ATOM 863 CG MET A 55 2.726 -10.446 0.779 1.00 0.00 C ATOM 864 SD MET A 55 3.279 -9.192 -0.389 1.00 0.00 S ATOM 865 CE MET A 55 5.052 -9.437 -0.330 1.00 0.00 C ATOM 0 H MET A 55 4.478 -8.399 3.317 1.00 0.00 H new ATOM 0 HA MET A 55 1.803 -8.776 2.449 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.370 -9.943 2.054 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.358 -11.237 2.664 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.984 -11.433 0.395 1.00 0.00 H new ATOM 0 HG3 MET A 55 1.640 -10.408 0.859 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.490 -9.157 -1.288 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.479 -8.818 0.459 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.268 -10.486 -0.125 1.00 0.00 H new ATOM 875 N LYS A 56 0.552 -10.022 4.150 1.00 0.00 N ATOM 876 CA LYS A 56 -0.251 -10.734 5.146 1.00 0.00 C ATOM 877 C LYS A 56 -0.375 -12.218 4.786 1.00 0.00 C ATOM 878 O LYS A 56 -1.439 -12.812 4.960 1.00 0.00 O ATOM 879 CB LYS A 56 -1.658 -10.131 5.250 1.00 0.00 C ATOM 880 CG LYS A 56 -2.395 -10.543 6.518 1.00 0.00 C ATOM 881 CD LYS A 56 -3.751 -9.863 6.635 1.00 0.00 C ATOM 882 CE LYS A 56 -4.816 -10.829 7.132 1.00 0.00 C ATOM 883 NZ LYS A 56 -5.857 -11.086 6.100 1.00 0.00 N ATOM 0 H LYS A 56 0.000 -9.553 3.432 1.00 0.00 H new ATOM 0 HA LYS A 56 0.258 -10.633 6.105 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.584 -9.044 5.218 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.242 -10.437 4.382 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.530 -11.625 6.524 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.788 -10.293 7.388 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.678 -9.017 7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.044 -9.464 5.664 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.347 -11.771 7.417 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.285 -10.422 8.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.564 -11.749 6.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.322 -10.191 5.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.413 -11.498 5.254 1.00 0.00 H new