USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 481 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+ 158:sc= -0.372 (180deg=-1.29!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc=-0.00326 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0129 K(o=-0.013,f=-1.9!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 52 HIS :FLIP no HD1:sc= -0.126 F(o=-1.8,f=-0.13) USER MOD Single : A 53 HIS : no HD1:sc= -0.979 K(o=-0.98,f=-2.7!) USER MOD Single : A 54 HIS : no HE2:sc= 0.611 K(o=0.61,f=-6.4!) USER MOD Single : A 55 HIS : no HD1:sc= -0.208 K(o=-0.21,f=-1.6) USER MOD Single : A 56 HIS :FLIP no HE2:sc= -0.0511 F(o=-0.68,f=-0.051) USER MOD Single : A 57 HIS : no HD1:sc= -0.427 X(o=-0.43,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.454 -45.456 7.175 1.00 0.00 N ATOM 2 CA MET A 1 0.566 -44.415 7.125 1.00 0.00 C ATOM 3 C MET A 1 -0.058 -43.070 6.769 1.00 0.00 C ATOM 4 O MET A 1 -0.603 -42.897 5.680 1.00 0.00 O ATOM 5 CB MET A 1 1.630 -44.777 6.087 1.00 0.00 C ATOM 6 CG MET A 1 0.951 -45.281 4.813 1.00 0.00 C ATOM 7 SD MET A 1 2.206 -45.917 3.673 1.00 0.00 S ATOM 8 CE MET A 1 1.159 -45.990 2.199 1.00 0.00 C ATOM 0 H1 MET A 1 -0.007 -46.386 7.045 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.934 -45.428 8.097 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.149 -45.297 6.418 1.00 0.00 H new ATOM 0 HA MET A 1 1.029 -44.338 8.109 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.246 -43.906 5.863 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.295 -45.544 6.485 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.234 -46.065 5.056 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.392 -44.473 4.342 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.742 -46.363 1.357 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.318 -46.658 2.383 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.786 -44.992 1.968 1.00 0.00 H new ATOM 18 N THR A 2 0.027 -42.120 7.695 1.00 0.00 N ATOM 19 CA THR A 2 -0.533 -40.793 7.468 1.00 0.00 C ATOM 20 C THR A 2 0.546 -39.831 6.984 1.00 0.00 C ATOM 21 O THR A 2 0.260 -38.873 6.266 1.00 0.00 O ATOM 22 CB THR A 2 -1.150 -40.259 8.762 1.00 0.00 C ATOM 23 OG1 THR A 2 -0.120 -40.009 9.708 1.00 0.00 O ATOM 24 CG2 THR A 2 -2.127 -41.291 9.330 1.00 0.00 C ATOM 0 H THR A 2 0.475 -42.243 8.603 1.00 0.00 H new ATOM 0 HA THR A 2 -1.304 -40.871 6.702 1.00 0.00 H new ATOM 0 HB THR A 2 -1.685 -39.333 8.553 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.514 -39.665 10.537 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.565 -40.908 10.252 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.918 -41.482 8.604 1.00 0.00 H new ATOM 0 HG23 THR A 2 -1.595 -42.219 9.539 1.00 0.00 H new ATOM 32 N TYR A 3 1.787 -40.092 7.381 1.00 0.00 N ATOM 33 CA TYR A 3 2.901 -39.239 6.980 1.00 0.00 C ATOM 34 C TYR A 3 2.807 -38.898 5.497 1.00 0.00 C ATOM 35 O TYR A 3 2.986 -37.746 5.103 1.00 0.00 O ATOM 36 CB TYR A 3 4.229 -39.950 7.263 1.00 0.00 C ATOM 37 CG TYR A 3 5.109 -39.065 8.116 1.00 0.00 C ATOM 38 CD1 TYR A 3 5.766 -37.969 7.542 1.00 0.00 C ATOM 39 CD2 TYR A 3 5.267 -39.341 9.479 1.00 0.00 C ATOM 40 CE1 TYR A 3 6.581 -37.150 8.332 1.00 0.00 C ATOM 41 CE2 TYR A 3 6.082 -38.521 10.269 1.00 0.00 C ATOM 42 CZ TYR A 3 6.739 -37.426 9.695 1.00 0.00 C ATOM 43 OH TYR A 3 7.543 -36.617 10.474 1.00 0.00 O ATOM 0 H TYR A 3 2.046 -40.880 7.975 1.00 0.00 H new ATOM 0 HA TYR A 3 2.855 -38.314 7.555 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.045 -40.896 7.773 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.733 -40.186 6.326 1.00 0.00 H new ATOM 0 HD1 TYR A 3 5.644 -37.756 6.490 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.760 -40.186 9.921 1.00 0.00 H new ATOM 0 HE1 TYR A 3 7.088 -36.305 7.890 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.204 -38.733 11.321 1.00 0.00 H new ATOM 0 HH TYR A 3 7.543 -36.947 11.397 1.00 0.00 H new ATOM 53 N PHE A 4 2.522 -39.906 4.679 1.00 0.00 N ATOM 54 CA PHE A 4 2.405 -39.700 3.241 1.00 0.00 C ATOM 55 C PHE A 4 1.665 -38.400 2.945 1.00 0.00 C ATOM 56 O PHE A 4 2.039 -37.652 2.042 1.00 0.00 O ATOM 57 CB PHE A 4 1.658 -40.874 2.605 1.00 0.00 C ATOM 58 CG PHE A 4 1.347 -40.554 1.163 1.00 0.00 C ATOM 59 CD1 PHE A 4 2.324 -40.743 0.177 1.00 0.00 C ATOM 60 CD2 PHE A 4 0.082 -40.069 0.810 1.00 0.00 C ATOM 61 CE1 PHE A 4 2.035 -40.448 -1.160 1.00 0.00 C ATOM 62 CE2 PHE A 4 -0.207 -39.773 -0.527 1.00 0.00 C ATOM 63 CZ PHE A 4 0.770 -39.962 -1.513 1.00 0.00 C ATOM 0 H PHE A 4 2.369 -40.867 4.985 1.00 0.00 H new ATOM 0 HA PHE A 4 3.408 -39.637 2.818 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.263 -41.779 2.665 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.736 -41.070 3.152 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.300 -41.116 0.449 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.671 -39.923 1.570 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.788 -40.595 -1.920 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.183 -39.399 -0.799 1.00 0.00 H new ATOM 0 HZ PHE A 4 0.548 -39.733 -2.545 1.00 0.00 H new ATOM 73 N TYR A 5 0.613 -38.136 3.714 1.00 0.00 N ATOM 74 CA TYR A 5 -0.172 -36.922 3.526 1.00 0.00 C ATOM 75 C TYR A 5 0.624 -35.699 3.967 1.00 0.00 C ATOM 76 O TYR A 5 0.658 -34.685 3.271 1.00 0.00 O ATOM 77 CB TYR A 5 -1.468 -37.009 4.331 1.00 0.00 C ATOM 78 CG TYR A 5 -2.600 -37.422 3.421 1.00 0.00 C ATOM 79 CD1 TYR A 5 -3.201 -36.479 2.580 1.00 0.00 C ATOM 80 CD2 TYR A 5 -3.047 -38.749 3.418 1.00 0.00 C ATOM 81 CE1 TYR A 5 -4.251 -36.861 1.737 1.00 0.00 C ATOM 82 CE2 TYR A 5 -4.097 -39.132 2.574 1.00 0.00 C ATOM 83 CZ TYR A 5 -4.699 -38.188 1.733 1.00 0.00 C ATOM 84 OH TYR A 5 -5.734 -38.563 0.901 1.00 0.00 O ATOM 0 H TYR A 5 0.287 -38.741 4.467 1.00 0.00 H new ATOM 0 HA TYR A 5 -0.410 -36.824 2.467 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.357 -37.730 5.141 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.689 -36.045 4.789 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.855 -35.456 2.581 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.582 -39.477 4.066 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.716 -36.132 1.089 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -4.442 -40.155 2.572 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.921 -39.518 1.021 1.00 0.00 H new ATOM 94 N VAL A 6 1.266 -35.802 5.126 1.00 0.00 N ATOM 95 CA VAL A 6 2.061 -34.697 5.648 1.00 0.00 C ATOM 96 C VAL A 6 3.214 -34.376 4.703 1.00 0.00 C ATOM 97 O VAL A 6 3.747 -33.267 4.711 1.00 0.00 O ATOM 98 CB VAL A 6 2.613 -35.054 7.029 1.00 0.00 C ATOM 99 CG1 VAL A 6 3.370 -33.853 7.601 1.00 0.00 C ATOM 100 CG2 VAL A 6 1.457 -35.418 7.962 1.00 0.00 C ATOM 0 H VAL A 6 1.252 -36.633 5.718 1.00 0.00 H new ATOM 0 HA VAL A 6 1.419 -33.820 5.732 1.00 0.00 H new ATOM 0 HB VAL A 6 3.290 -35.903 6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.764 -34.106 8.585 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.194 -33.592 6.937 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.692 -33.004 7.689 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.850 -35.672 8.946 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.779 -34.569 8.050 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.916 -36.273 7.555 1.00 0.00 H new ATOM 110 N THR A 7 3.594 -35.355 3.889 1.00 0.00 N ATOM 111 CA THR A 7 4.688 -35.166 2.941 1.00 0.00 C ATOM 112 C THR A 7 4.305 -34.142 1.877 1.00 0.00 C ATOM 113 O THR A 7 5.116 -33.299 1.495 1.00 0.00 O ATOM 114 CB THR A 7 5.033 -36.497 2.270 1.00 0.00 C ATOM 115 OG1 THR A 7 5.028 -37.531 3.243 1.00 0.00 O ATOM 116 CG2 THR A 7 6.418 -36.402 1.628 1.00 0.00 C ATOM 0 H THR A 7 3.165 -36.280 3.865 1.00 0.00 H new ATOM 0 HA THR A 7 5.557 -34.798 3.487 1.00 0.00 H new ATOM 0 HB THR A 7 4.294 -36.720 1.501 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.247 -38.385 2.814 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.663 -37.350 1.150 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.419 -35.608 0.881 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.160 -36.179 2.395 1.00 0.00 H new ATOM 124 N ASP A 8 3.066 -34.222 1.402 1.00 0.00 N ATOM 125 CA ASP A 8 2.589 -33.296 0.381 1.00 0.00 C ATOM 126 C ASP A 8 2.397 -31.905 0.968 1.00 0.00 C ATOM 127 O ASP A 8 2.396 -30.907 0.249 1.00 0.00 O ATOM 128 CB ASP A 8 1.269 -33.794 -0.208 1.00 0.00 C ATOM 129 CG ASP A 8 0.537 -32.644 -0.892 1.00 0.00 C ATOM 130 OD1 ASP A 8 0.970 -32.244 -1.960 1.00 0.00 O ATOM 131 OD2 ASP A 8 -0.446 -32.180 -0.336 1.00 0.00 O ATOM 0 H ASP A 8 2.379 -34.913 1.705 1.00 0.00 H new ATOM 0 HA ASP A 8 3.337 -33.243 -0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.459 -34.593 -0.925 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.645 -34.215 0.580 1.00 0.00 H new ATOM 136 N TYR A 9 2.235 -31.856 2.280 1.00 0.00 N ATOM 137 CA TYR A 9 2.041 -30.587 2.973 1.00 0.00 C ATOM 138 C TYR A 9 3.353 -29.813 3.048 1.00 0.00 C ATOM 139 O TYR A 9 3.374 -28.644 3.435 1.00 0.00 O ATOM 140 CB TYR A 9 1.511 -30.837 4.385 1.00 0.00 C ATOM 141 CG TYR A 9 0.466 -29.800 4.722 1.00 0.00 C ATOM 142 CD1 TYR A 9 0.858 -28.505 5.085 1.00 0.00 C ATOM 143 CD2 TYR A 9 -0.894 -30.131 4.670 1.00 0.00 C ATOM 144 CE1 TYR A 9 -0.110 -27.542 5.395 1.00 0.00 C ATOM 145 CE2 TYR A 9 -1.862 -29.167 4.981 1.00 0.00 C ATOM 146 CZ TYR A 9 -1.469 -27.873 5.343 1.00 0.00 C ATOM 147 OH TYR A 9 -2.423 -26.923 5.649 1.00 0.00 O ATOM 0 H TYR A 9 2.233 -32.675 2.887 1.00 0.00 H new ATOM 0 HA TYR A 9 1.315 -29.997 2.414 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.081 -31.837 4.452 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.328 -30.792 5.105 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.907 -28.249 5.126 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -1.196 -31.129 4.390 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.192 -26.543 5.674 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -2.911 -29.422 4.941 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.316 -27.317 5.563 1.00 0.00 H new ATOM 157 N LEU A 10 4.446 -30.471 2.676 1.00 0.00 N ATOM 158 CA LEU A 10 5.758 -29.835 2.705 1.00 0.00 C ATOM 159 C LEU A 10 6.048 -29.146 1.373 1.00 0.00 C ATOM 160 O LEU A 10 7.167 -29.197 0.865 1.00 0.00 O ATOM 161 CB LEU A 10 6.838 -30.882 2.995 1.00 0.00 C ATOM 162 CG LEU A 10 7.270 -30.777 4.459 1.00 0.00 C ATOM 163 CD1 LEU A 10 7.806 -32.129 4.932 1.00 0.00 C ATOM 164 CD2 LEU A 10 8.369 -29.720 4.592 1.00 0.00 C ATOM 0 H LEU A 10 4.450 -31.438 2.353 1.00 0.00 H new ATOM 0 HA LEU A 10 5.763 -29.084 3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.455 -31.882 2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.695 -30.727 2.340 1.00 0.00 H new ATOM 0 HG LEU A 10 6.414 -30.491 5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.114 -32.054 5.975 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.025 -32.883 4.838 1.00 0.00 H new ATOM 0 HD13 LEU A 10 8.662 -32.415 4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.677 -29.645 5.635 1.00 0.00 H new ATOM 0 HD22 LEU A 10 9.225 -30.006 3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.989 -28.755 4.256 1.00 0.00 H new ATOM 176 N ASP A 11 5.030 -28.498 0.815 1.00 0.00 N ATOM 177 CA ASP A 11 5.185 -27.799 -0.453 1.00 0.00 C ATOM 178 C ASP A 11 4.515 -26.433 -0.388 1.00 0.00 C ATOM 179 O ASP A 11 3.341 -26.321 -0.035 1.00 0.00 O ATOM 180 CB ASP A 11 4.563 -28.620 -1.584 1.00 0.00 C ATOM 181 CG ASP A 11 5.123 -28.166 -2.928 1.00 0.00 C ATOM 182 OD1 ASP A 11 6.333 -28.184 -3.080 1.00 0.00 O ATOM 183 OD2 ASP A 11 4.333 -27.806 -3.784 1.00 0.00 O ATOM 0 H ASP A 11 4.095 -28.443 1.219 1.00 0.00 H new ATOM 0 HA ASP A 11 6.249 -27.665 -0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.772 -29.679 -1.433 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.479 -28.504 -1.575 1.00 0.00 H new ATOM 188 N VAL A 12 5.270 -25.398 -0.729 1.00 0.00 N ATOM 189 CA VAL A 12 4.744 -24.039 -0.706 1.00 0.00 C ATOM 190 C VAL A 12 5.126 -23.290 -1.979 1.00 0.00 C ATOM 191 O VAL A 12 6.142 -22.597 -2.024 1.00 0.00 O ATOM 192 CB VAL A 12 5.290 -23.288 0.508 1.00 0.00 C ATOM 193 CG1 VAL A 12 6.815 -23.402 0.535 1.00 0.00 C ATOM 194 CG2 VAL A 12 4.891 -21.814 0.414 1.00 0.00 C ATOM 0 H VAL A 12 6.244 -25.472 -1.024 1.00 0.00 H new ATOM 0 HA VAL A 12 3.657 -24.095 -0.643 1.00 0.00 H new ATOM 0 HB VAL A 12 4.878 -23.720 1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.205 -22.866 1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.100 -24.452 0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.228 -22.969 -0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.279 -21.276 1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.305 -21.382 -0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.804 -21.732 0.394 1.00 0.00 H new ATOM 204 N PRO A 13 4.330 -23.419 -3.004 1.00 0.00 N ATOM 205 CA PRO A 13 4.578 -22.742 -4.311 1.00 0.00 C ATOM 206 C PRO A 13 4.699 -21.229 -4.153 1.00 0.00 C ATOM 207 O PRO A 13 4.043 -20.630 -3.300 1.00 0.00 O ATOM 208 CB PRO A 13 3.355 -23.105 -5.161 1.00 0.00 C ATOM 209 CG PRO A 13 2.749 -24.306 -4.511 1.00 0.00 C ATOM 210 CD PRO A 13 3.104 -24.227 -3.028 1.00 0.00 C ATOM 0 HA PRO A 13 5.517 -23.062 -4.762 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.644 -22.279 -5.196 1.00 0.00 H new ATOM 0 HB3 PRO A 13 3.644 -23.321 -6.190 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.668 -24.318 -4.650 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.137 -25.223 -4.954 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.306 -23.761 -2.450 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.269 -25.217 -2.603 1.00 0.00 H new ATOM 218 N SER A 14 5.543 -20.616 -4.978 1.00 0.00 N ATOM 219 CA SER A 14 5.740 -19.172 -4.916 1.00 0.00 C ATOM 220 C SER A 14 4.481 -18.439 -5.361 1.00 0.00 C ATOM 221 O SER A 14 4.352 -17.230 -5.164 1.00 0.00 O ATOM 222 CB SER A 14 6.916 -18.763 -5.803 1.00 0.00 C ATOM 223 OG SER A 14 6.672 -19.198 -7.135 1.00 0.00 O ATOM 0 H SER A 14 6.096 -21.091 -5.691 1.00 0.00 H new ATOM 0 HA SER A 14 5.957 -18.900 -3.883 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.046 -17.681 -5.779 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.840 -19.203 -5.428 1.00 0.00 H new ATOM 0 HG SER A 14 7.423 -18.936 -7.707 1.00 0.00 H new ATOM 229 N ASN A 15 3.552 -19.176 -5.956 1.00 0.00 N ATOM 230 CA ASN A 15 2.308 -18.577 -6.412 1.00 0.00 C ATOM 231 C ASN A 15 1.613 -17.880 -5.251 1.00 0.00 C ATOM 232 O ASN A 15 0.895 -16.898 -5.441 1.00 0.00 O ATOM 233 CB ASN A 15 1.387 -19.655 -6.992 1.00 0.00 C ATOM 234 CG ASN A 15 1.876 -20.069 -8.375 1.00 0.00 C ATOM 235 OD1 ASN A 15 3.050 -19.885 -8.702 1.00 0.00 O ATOM 236 ND2 ASN A 15 1.043 -20.623 -9.213 1.00 0.00 N ATOM 0 H ASN A 15 3.635 -20.177 -6.132 1.00 0.00 H new ATOM 0 HA ASN A 15 2.533 -17.845 -7.188 1.00 0.00 H new ATOM 0 HB2 ASN A 15 1.365 -20.521 -6.330 1.00 0.00 H new ATOM 0 HB3 ASN A 15 0.367 -19.277 -7.056 1.00 0.00 H new ATOM 0 HD21 ASN A 15 1.363 -20.904 -10.140 1.00 0.00 H new ATOM 0 HD22 ASN A 15 0.072 -20.775 -8.941 1.00 0.00 H new ATOM 243 N ILE A 16 1.840 -18.389 -4.043 1.00 0.00 N ATOM 244 CA ILE A 16 1.238 -17.801 -2.853 1.00 0.00 C ATOM 245 C ILE A 16 1.983 -16.541 -2.455 1.00 0.00 C ATOM 246 O ILE A 16 1.451 -15.674 -1.768 1.00 0.00 O ATOM 247 CB ILE A 16 1.254 -18.805 -1.698 1.00 0.00 C ATOM 248 CG1 ILE A 16 0.171 -19.865 -1.925 1.00 0.00 C ATOM 249 CG2 ILE A 16 0.986 -18.072 -0.382 1.00 0.00 C ATOM 250 CD1 ILE A 16 0.818 -21.249 -2.006 1.00 0.00 C ATOM 0 H ILE A 16 2.432 -19.201 -3.864 1.00 0.00 H new ATOM 0 HA ILE A 16 0.204 -17.542 -3.080 1.00 0.00 H new ATOM 0 HB ILE A 16 2.229 -19.290 -1.651 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.554 -19.838 -1.112 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.373 -19.652 -2.845 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.997 -18.786 0.441 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.758 -17.320 -0.220 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.011 -17.587 -0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.047 -22.002 -2.167 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.526 -21.272 -2.834 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.342 -21.461 -1.074 1.00 0.00 H new ATOM 262 N ALA A 17 3.216 -16.464 -2.905 1.00 0.00 N ATOM 263 CA ALA A 17 4.070 -15.316 -2.622 1.00 0.00 C ATOM 264 C ALA A 17 3.685 -14.133 -3.501 1.00 0.00 C ATOM 265 O ALA A 17 3.910 -12.976 -3.145 1.00 0.00 O ATOM 266 CB ALA A 17 5.530 -15.682 -2.879 1.00 0.00 C ATOM 0 H ALA A 17 3.659 -17.186 -3.474 1.00 0.00 H new ATOM 0 HA ALA A 17 3.939 -15.038 -1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.164 -14.821 -2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.816 -16.512 -2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.654 -15.975 -3.922 1.00 0.00 H new ATOM 272 N LYS A 18 3.098 -14.439 -4.650 1.00 0.00 N ATOM 273 CA LYS A 18 2.674 -13.409 -5.588 1.00 0.00 C ATOM 274 C LYS A 18 1.254 -12.997 -5.269 1.00 0.00 C ATOM 275 O LYS A 18 0.846 -11.859 -5.506 1.00 0.00 O ATOM 276 CB LYS A 18 2.751 -13.936 -7.023 1.00 0.00 C ATOM 277 CG LYS A 18 2.376 -12.820 -7.999 1.00 0.00 C ATOM 278 CD LYS A 18 3.267 -12.908 -9.239 1.00 0.00 C ATOM 279 CE LYS A 18 2.915 -14.169 -10.030 1.00 0.00 C ATOM 280 NZ LYS A 18 2.202 -13.786 -11.281 1.00 0.00 N ATOM 0 H LYS A 18 2.905 -15.393 -4.955 1.00 0.00 H new ATOM 0 HA LYS A 18 3.335 -12.547 -5.497 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.758 -14.296 -7.236 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.077 -14.783 -7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.328 -12.908 -8.284 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.495 -11.848 -7.520 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.130 -12.024 -9.862 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.316 -12.931 -8.945 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.821 -14.725 -10.271 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.288 -14.826 -9.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.962 -14.642 -11.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.330 -13.273 -11.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.816 -13.175 -11.857 1.00 0.00 H new ATOM 294 N ILE A 19 0.516 -13.937 -4.707 1.00 0.00 N ATOM 295 CA ILE A 19 -0.861 -13.688 -4.320 1.00 0.00 C ATOM 296 C ILE A 19 -0.880 -13.096 -2.922 1.00 0.00 C ATOM 297 O ILE A 19 -1.866 -12.491 -2.500 1.00 0.00 O ATOM 298 CB ILE A 19 -1.663 -14.989 -4.341 1.00 0.00 C ATOM 299 CG1 ILE A 19 -1.818 -15.470 -5.786 1.00 0.00 C ATOM 300 CG2 ILE A 19 -3.046 -14.746 -3.735 1.00 0.00 C ATOM 301 CD1 ILE A 19 -2.511 -16.834 -5.798 1.00 0.00 C ATOM 0 H ILE A 19 0.847 -14.881 -4.508 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.314 -12.991 -5.025 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.139 -15.747 -3.759 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.400 -14.749 -6.360 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.841 -15.542 -6.263 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.618 -15.674 -3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.937 -14.403 -2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.570 -13.987 -4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.622 -17.177 -6.827 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.911 -17.552 -5.239 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.495 -16.746 -5.337 1.00 0.00 H new ATOM 313 N ILE A 20 0.228 -13.277 -2.209 1.00 0.00 N ATOM 314 CA ILE A 20 0.339 -12.755 -0.851 1.00 0.00 C ATOM 315 C ILE A 20 0.816 -11.306 -0.867 1.00 0.00 C ATOM 316 O ILE A 20 0.163 -10.422 -0.313 1.00 0.00 O ATOM 317 CB ILE A 20 1.318 -13.602 -0.036 1.00 0.00 C ATOM 318 CG1 ILE A 20 0.591 -14.834 0.506 1.00 0.00 C ATOM 319 CG2 ILE A 20 1.859 -12.778 1.134 1.00 0.00 C ATOM 320 CD1 ILE A 20 -0.167 -14.458 1.781 1.00 0.00 C ATOM 0 H ILE A 20 1.053 -13.775 -2.544 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.648 -12.798 -0.391 1.00 0.00 H new ATOM 0 HB ILE A 20 2.146 -13.914 -0.673 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.102 -15.219 -0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.307 -15.629 0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.556 -13.383 1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.374 -11.897 0.751 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.032 -12.466 1.772 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.685 -15.335 2.168 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.537 -14.093 2.529 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.893 -13.677 1.556 1.00 0.00 H new ATOM 332 N ILE A 21 1.958 -11.071 -1.503 1.00 0.00 N ATOM 333 CA ILE A 21 2.512 -9.725 -1.580 1.00 0.00 C ATOM 334 C ILE A 21 1.835 -8.921 -2.686 1.00 0.00 C ATOM 335 O ILE A 21 1.585 -7.728 -2.530 1.00 0.00 O ATOM 336 CB ILE A 21 4.017 -9.796 -1.843 1.00 0.00 C ATOM 337 CG1 ILE A 21 4.651 -10.811 -0.890 1.00 0.00 C ATOM 338 CG2 ILE A 21 4.641 -8.420 -1.608 1.00 0.00 C ATOM 339 CD1 ILE A 21 6.175 -10.723 -0.987 1.00 0.00 C ATOM 0 H ILE A 21 2.514 -11.788 -1.969 1.00 0.00 H new ATOM 0 HA ILE A 21 2.331 -9.226 -0.628 1.00 0.00 H new ATOM 0 HB ILE A 21 4.193 -10.103 -2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.330 -10.615 0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.318 -11.818 -1.141 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.714 -8.470 -1.795 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.188 -7.695 -2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.467 -8.113 -0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.625 -11.447 -0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.488 -10.941 -2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.500 -9.719 -0.714 1.00 0.00 H new ATOM 351 N GLY A 22 1.544 -9.581 -3.802 1.00 0.00 N ATOM 352 CA GLY A 22 0.898 -8.912 -4.929 1.00 0.00 C ATOM 353 C GLY A 22 -0.160 -7.920 -4.453 1.00 0.00 C ATOM 354 O GLY A 22 -0.119 -6.736 -4.795 1.00 0.00 O ATOM 0 H GLY A 22 1.743 -10.570 -3.952 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.648 -8.390 -5.523 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.436 -9.655 -5.580 1.00 0.00 H new ATOM 358 N PRO A 23 -1.104 -8.384 -3.680 1.00 0.00 N ATOM 359 CA PRO A 23 -2.207 -7.530 -3.147 1.00 0.00 C ATOM 360 C PRO A 23 -1.685 -6.281 -2.441 1.00 0.00 C ATOM 361 O PRO A 23 -2.239 -5.193 -2.600 1.00 0.00 O ATOM 362 CB PRO A 23 -2.937 -8.445 -2.161 1.00 0.00 C ATOM 363 CG PRO A 23 -2.610 -9.836 -2.590 1.00 0.00 C ATOM 364 CD PRO A 23 -1.225 -9.779 -3.233 1.00 0.00 C ATOM 0 HA PRO A 23 -2.849 -7.156 -3.945 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.607 -8.262 -1.138 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.013 -8.269 -2.185 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.614 -10.516 -1.738 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.351 -10.208 -3.298 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.442 -10.040 -2.521 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.142 -10.475 -4.068 1.00 0.00 H new ATOM 372 N LEU A 24 -0.621 -6.440 -1.663 1.00 0.00 N ATOM 373 CA LEU A 24 -0.046 -5.307 -0.944 1.00 0.00 C ATOM 374 C LEU A 24 0.715 -4.404 -1.899 1.00 0.00 C ATOM 375 O LEU A 24 0.647 -3.180 -1.795 1.00 0.00 O ATOM 376 CB LEU A 24 0.883 -5.799 0.166 1.00 0.00 C ATOM 377 CG LEU A 24 0.106 -5.882 1.481 1.00 0.00 C ATOM 378 CD1 LEU A 24 -1.055 -6.866 1.326 1.00 0.00 C ATOM 379 CD2 LEU A 24 1.037 -6.367 2.595 1.00 0.00 C ATOM 0 H LEU A 24 -0.143 -7.329 -1.514 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.858 -4.735 -0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.289 -6.777 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.730 -5.121 0.274 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.283 -4.896 1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.609 -6.926 2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.719 -6.523 0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.665 -7.852 1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.483 -6.426 3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.426 -7.353 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.866 -5.668 2.707 1.00 0.00 H new ATOM 391 N ILE A 25 1.424 -5.009 -2.840 1.00 0.00 N ATOM 392 CA ILE A 25 2.167 -4.234 -3.815 1.00 0.00 C ATOM 393 C ILE A 25 1.241 -3.192 -4.421 1.00 0.00 C ATOM 394 O ILE A 25 1.665 -2.087 -4.764 1.00 0.00 O ATOM 395 CB ILE A 25 2.723 -5.145 -4.913 1.00 0.00 C ATOM 396 CG1 ILE A 25 3.958 -5.883 -4.385 1.00 0.00 C ATOM 397 CG2 ILE A 25 3.113 -4.303 -6.128 1.00 0.00 C ATOM 398 CD1 ILE A 25 5.173 -4.952 -4.421 1.00 0.00 C ATOM 0 H ILE A 25 1.499 -6.021 -2.947 1.00 0.00 H new ATOM 0 HA ILE A 25 3.007 -3.743 -3.324 1.00 0.00 H new ATOM 0 HB ILE A 25 1.962 -5.869 -5.204 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.780 -6.225 -3.365 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.149 -6.769 -4.990 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.509 -4.952 -6.909 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.235 -3.777 -6.503 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.874 -3.578 -5.839 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.048 -5.481 -4.045 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.356 -4.632 -5.447 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.981 -4.079 -3.797 1.00 0.00 H new ATOM 410 N PHE A 26 -0.035 -3.552 -4.537 1.00 0.00 N ATOM 411 CA PHE A 26 -1.028 -2.639 -5.090 1.00 0.00 C ATOM 412 C PHE A 26 -1.099 -1.380 -4.235 1.00 0.00 C ATOM 413 O PHE A 26 -1.060 -0.263 -4.749 1.00 0.00 O ATOM 414 CB PHE A 26 -2.402 -3.317 -5.129 1.00 0.00 C ATOM 415 CG PHE A 26 -2.876 -3.423 -6.561 1.00 0.00 C ATOM 416 CD1 PHE A 26 -2.012 -3.908 -7.550 1.00 0.00 C ATOM 417 CD2 PHE A 26 -4.179 -3.037 -6.896 1.00 0.00 C ATOM 418 CE1 PHE A 26 -2.452 -4.007 -8.876 1.00 0.00 C ATOM 419 CE2 PHE A 26 -4.619 -3.135 -8.222 1.00 0.00 C ATOM 420 CZ PHE A 26 -3.754 -3.620 -9.212 1.00 0.00 C ATOM 0 H PHE A 26 -0.402 -4.462 -4.258 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.737 -2.370 -6.106 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.342 -4.309 -4.681 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.118 -2.744 -4.540 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.007 -4.206 -7.291 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.845 -2.664 -6.132 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.786 -4.382 -9.639 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.624 -2.837 -8.481 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.092 -3.695 -10.235 1.00 0.00 H new ATOM 430 N VAL A 27 -1.187 -1.573 -2.923 1.00 0.00 N ATOM 431 CA VAL A 27 -1.245 -0.450 -1.998 1.00 0.00 C ATOM 432 C VAL A 27 0.065 0.325 -2.052 1.00 0.00 C ATOM 433 O VAL A 27 0.089 1.542 -1.874 1.00 0.00 O ATOM 434 CB VAL A 27 -1.485 -0.955 -0.574 1.00 0.00 C ATOM 435 CG1 VAL A 27 -1.632 0.236 0.374 1.00 0.00 C ATOM 436 CG2 VAL A 27 -2.766 -1.792 -0.542 1.00 0.00 C ATOM 0 H VAL A 27 -1.219 -2.491 -2.480 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.067 0.205 -2.286 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.640 -1.567 -0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.803 -0.125 1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.721 0.834 0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.477 0.849 0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.939 -2.153 0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.610 -1.178 -0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.663 -2.642 -1.217 1.00 0.00 H new ATOM 446 N PHE A 28 1.152 -0.395 -2.309 1.00 0.00 N ATOM 447 CA PHE A 28 2.468 0.223 -2.398 1.00 0.00 C ATOM 448 C PHE A 28 2.522 1.168 -3.591 1.00 0.00 C ATOM 449 O PHE A 28 3.104 2.250 -3.514 1.00 0.00 O ATOM 450 CB PHE A 28 3.542 -0.857 -2.548 1.00 0.00 C ATOM 451 CG PHE A 28 4.808 -0.417 -1.852 1.00 0.00 C ATOM 452 CD1 PHE A 28 4.909 -0.508 -0.458 1.00 0.00 C ATOM 453 CD2 PHE A 28 5.880 0.082 -2.600 1.00 0.00 C ATOM 454 CE1 PHE A 28 6.083 -0.101 0.186 1.00 0.00 C ATOM 455 CE2 PHE A 28 7.055 0.490 -1.955 1.00 0.00 C ATOM 456 CZ PHE A 28 7.155 0.398 -0.562 1.00 0.00 C ATOM 0 H PHE A 28 1.147 -1.404 -2.459 1.00 0.00 H new ATOM 0 HA PHE A 28 2.653 0.790 -1.485 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.189 -1.796 -2.122 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.741 -1.041 -3.604 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.081 -0.892 0.120 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.802 0.153 -3.675 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.162 -0.172 1.261 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.883 0.875 -2.532 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.060 0.712 -0.064 1.00 0.00 H new ATOM 466 N LEU A 29 1.900 0.755 -4.690 1.00 0.00 N ATOM 467 CA LEU A 29 1.873 1.577 -5.893 1.00 0.00 C ATOM 468 C LEU A 29 0.991 2.799 -5.668 1.00 0.00 C ATOM 469 O LEU A 29 1.277 3.887 -6.167 1.00 0.00 O ATOM 470 CB LEU A 29 1.335 0.763 -7.071 1.00 0.00 C ATOM 471 CG LEU A 29 2.502 0.299 -7.946 1.00 0.00 C ATOM 472 CD1 LEU A 29 3.230 1.518 -8.517 1.00 0.00 C ATOM 473 CD2 LEU A 29 3.474 -0.526 -7.100 1.00 0.00 C ATOM 0 H LEU A 29 1.412 -0.137 -4.772 1.00 0.00 H new ATOM 0 HA LEU A 29 2.888 1.904 -6.119 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.775 -0.098 -6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.644 1.367 -7.659 1.00 0.00 H new ATOM 0 HG LEU A 29 2.122 -0.312 -8.765 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.061 1.187 -9.140 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.537 2.107 -9.119 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.611 2.130 -7.700 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.306 -0.858 -7.721 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.853 0.086 -6.281 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.956 -1.395 -6.694 1.00 0.00 H new ATOM 485 N PHE A 30 -0.080 2.609 -4.903 1.00 0.00 N ATOM 486 CA PHE A 30 -0.997 3.702 -4.608 1.00 0.00 C ATOM 487 C PHE A 30 -0.348 4.685 -3.639 1.00 0.00 C ATOM 488 O PHE A 30 -0.548 5.896 -3.739 1.00 0.00 O ATOM 489 CB PHE A 30 -2.288 3.153 -3.997 1.00 0.00 C ATOM 490 CG PHE A 30 -3.338 3.019 -5.074 1.00 0.00 C ATOM 491 CD1 PHE A 30 -2.983 2.544 -6.342 1.00 0.00 C ATOM 492 CD2 PHE A 30 -4.665 3.372 -4.805 1.00 0.00 C ATOM 493 CE1 PHE A 30 -3.956 2.420 -7.340 1.00 0.00 C ATOM 494 CE2 PHE A 30 -5.639 3.248 -5.804 1.00 0.00 C ATOM 495 CZ PHE A 30 -5.284 2.772 -7.071 1.00 0.00 C ATOM 0 H PHE A 30 -0.332 1.716 -4.480 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.233 4.221 -5.537 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.101 2.184 -3.535 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.642 3.819 -3.210 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.958 2.273 -6.550 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.938 3.740 -3.827 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.682 2.053 -8.318 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.663 3.520 -5.596 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.035 2.676 -7.842 1.00 0.00 H new ATOM 505 N SER A 31 0.434 4.155 -2.705 1.00 0.00 N ATOM 506 CA SER A 31 1.115 4.993 -1.727 1.00 0.00 C ATOM 507 C SER A 31 2.183 5.835 -2.409 1.00 0.00 C ATOM 508 O SER A 31 2.366 7.010 -2.089 1.00 0.00 O ATOM 509 CB SER A 31 1.756 4.124 -0.644 1.00 0.00 C ATOM 510 OG SER A 31 1.874 4.879 0.554 1.00 0.00 O ATOM 0 H SER A 31 0.611 3.155 -2.605 1.00 0.00 H new ATOM 0 HA SER A 31 0.382 5.655 -1.266 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.150 3.235 -0.469 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.738 3.782 -0.970 1.00 0.00 H new ATOM 0 HG SER A 31 2.283 4.325 1.251 1.00 0.00 H new ATOM 516 N VAL A 32 2.879 5.224 -3.357 1.00 0.00 N ATOM 517 CA VAL A 32 3.927 5.922 -4.093 1.00 0.00 C ATOM 518 C VAL A 32 3.347 7.136 -4.809 1.00 0.00 C ATOM 519 O VAL A 32 3.913 8.229 -4.757 1.00 0.00 O ATOM 520 CB VAL A 32 4.568 4.983 -5.115 1.00 0.00 C ATOM 521 CG1 VAL A 32 5.436 5.795 -6.079 1.00 0.00 C ATOM 522 CG2 VAL A 32 5.438 3.953 -4.390 1.00 0.00 C ATOM 0 H VAL A 32 2.740 4.252 -3.635 1.00 0.00 H new ATOM 0 HA VAL A 32 4.687 6.253 -3.385 1.00 0.00 H new ATOM 0 HB VAL A 32 3.787 4.468 -5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.893 5.126 -6.808 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.817 6.528 -6.597 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.217 6.310 -5.520 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.894 3.284 -5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.219 4.467 -3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.820 3.374 -3.703 1.00 0.00 H new ATOM 532 N VAL A 33 2.213 6.937 -5.474 1.00 0.00 N ATOM 533 CA VAL A 33 1.564 8.026 -6.193 1.00 0.00 C ATOM 534 C VAL A 33 1.159 9.132 -5.223 1.00 0.00 C ATOM 535 O VAL A 33 1.564 10.284 -5.375 1.00 0.00 O ATOM 536 CB VAL A 33 0.325 7.505 -6.923 1.00 0.00 C ATOM 537 CG1 VAL A 33 -0.426 8.678 -7.556 1.00 0.00 C ATOM 538 CG2 VAL A 33 0.754 6.525 -8.018 1.00 0.00 C ATOM 0 H VAL A 33 1.729 6.041 -5.530 1.00 0.00 H new ATOM 0 HA VAL A 33 2.267 8.431 -6.920 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.328 6.996 -6.213 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.309 8.307 -8.076 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.731 9.377 -6.778 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.226 9.187 -8.266 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.128 6.153 -8.539 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.406 7.035 -8.727 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.290 5.689 -7.568 1.00 0.00 H new ATOM 548 N ILE A 34 0.362 8.770 -4.223 1.00 0.00 N ATOM 549 CA ILE A 34 -0.089 9.735 -3.227 1.00 0.00 C ATOM 550 C ILE A 34 1.098 10.451 -2.604 1.00 0.00 C ATOM 551 O ILE A 34 0.956 11.524 -2.019 1.00 0.00 O ATOM 552 CB ILE A 34 -0.895 9.027 -2.137 1.00 0.00 C ATOM 553 CG1 ILE A 34 -2.224 8.543 -2.724 1.00 0.00 C ATOM 554 CG2 ILE A 34 -1.169 10.001 -0.990 1.00 0.00 C ATOM 555 CD1 ILE A 34 -2.863 7.528 -1.774 1.00 0.00 C ATOM 0 H ILE A 34 0.017 7.821 -4.081 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.723 10.471 -3.722 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.329 8.175 -1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.896 9.388 -2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.058 8.088 -3.701 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.743 9.496 -0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.223 10.348 -0.574 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.736 10.854 -1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.809 7.184 -2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.193 6.678 -1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.043 7.998 -0.807 1.00 0.00 H new ATOM 567 N GLY A 35 2.266 9.845 -2.735 1.00 0.00 N ATOM 568 CA GLY A 35 3.481 10.424 -2.180 1.00 0.00 C ATOM 569 C GLY A 35 3.934 11.627 -2.988 1.00 0.00 C ATOM 570 O GLY A 35 4.081 12.726 -2.456 1.00 0.00 O ATOM 0 H GLY A 35 2.400 8.957 -3.218 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.306 10.722 -1.146 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.271 9.673 -2.166 1.00 0.00 H new ATOM 574 N SER A 36 4.139 11.414 -4.280 1.00 0.00 N ATOM 575 CA SER A 36 4.556 12.496 -5.151 1.00 0.00 C ATOM 576 C SER A 36 3.457 13.537 -5.193 1.00 0.00 C ATOM 577 O SER A 36 3.704 14.721 -5.418 1.00 0.00 O ATOM 578 CB SER A 36 4.831 11.970 -6.559 1.00 0.00 C ATOM 579 OG SER A 36 4.356 12.912 -7.513 1.00 0.00 O ATOM 0 H SER A 36 4.024 10.512 -4.741 1.00 0.00 H new ATOM 0 HA SER A 36 5.474 12.940 -4.767 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.900 11.804 -6.695 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.338 11.009 -6.703 1.00 0.00 H new ATOM 0 HG SER A 36 4.532 12.579 -8.418 1.00 0.00 H new ATOM 585 N ILE A 37 2.238 13.075 -4.953 1.00 0.00 N ATOM 586 CA ILE A 37 1.087 13.969 -4.942 1.00 0.00 C ATOM 587 C ILE A 37 1.085 14.786 -3.660 1.00 0.00 C ATOM 588 O ILE A 37 0.775 15.977 -3.664 1.00 0.00 O ATOM 589 CB ILE A 37 -0.211 13.170 -5.045 1.00 0.00 C ATOM 590 CG1 ILE A 37 -0.178 12.306 -6.310 1.00 0.00 C ATOM 591 CG2 ILE A 37 -1.399 14.132 -5.110 1.00 0.00 C ATOM 592 CD1 ILE A 37 -0.735 13.100 -7.494 1.00 0.00 C ATOM 0 H ILE A 37 2.021 12.096 -4.765 1.00 0.00 H new ATOM 0 HA ILE A 37 1.155 14.638 -5.800 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.314 12.528 -4.170 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.844 11.991 -6.520 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.766 11.401 -6.159 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.325 13.562 -5.184 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.421 14.745 -4.209 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.299 14.775 -5.984 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.709 12.481 -8.391 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.764 13.393 -7.284 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.129 13.992 -7.651 1.00 0.00 H new ATOM 604 N TYR A 38 1.437 14.127 -2.561 1.00 0.00 N ATOM 605 CA TYR A 38 1.479 14.790 -1.263 1.00 0.00 C ATOM 606 C TYR A 38 2.242 16.107 -1.358 1.00 0.00 C ATOM 607 O TYR A 38 1.876 17.094 -0.719 1.00 0.00 O ATOM 608 CB TYR A 38 2.154 13.879 -0.235 1.00 0.00 C ATOM 609 CG TYR A 38 1.799 14.341 1.158 1.00 0.00 C ATOM 610 CD1 TYR A 38 2.338 15.531 1.660 1.00 0.00 C ATOM 611 CD2 TYR A 38 0.931 13.578 1.948 1.00 0.00 C ATOM 612 CE1 TYR A 38 2.009 15.959 2.952 1.00 0.00 C ATOM 613 CE2 TYR A 38 0.602 14.006 3.240 1.00 0.00 C ATOM 614 CZ TYR A 38 1.141 15.196 3.742 1.00 0.00 C ATOM 615 OH TYR A 38 0.816 15.618 5.015 1.00 0.00 O ATOM 0 H TYR A 38 1.696 13.141 -2.543 1.00 0.00 H new ATOM 0 HA TYR A 38 0.456 14.999 -0.948 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.832 12.848 -0.381 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.235 13.898 -0.371 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.008 16.119 1.051 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.515 12.659 1.561 1.00 0.00 H new ATOM 0 HE1 TYR A 38 2.425 16.878 3.339 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.068 13.418 3.849 1.00 0.00 H new ATOM 0 HH TYR A 38 0.202 14.974 5.426 1.00 0.00 H new ATOM 625 N LEU A 39 3.302 16.115 -2.158 1.00 0.00 N ATOM 626 CA LEU A 39 4.108 17.319 -2.330 1.00 0.00 C ATOM 627 C LEU A 39 3.212 18.533 -2.548 1.00 0.00 C ATOM 628 O LEU A 39 3.457 19.606 -1.995 1.00 0.00 O ATOM 629 CB LEU A 39 5.047 17.154 -3.526 1.00 0.00 C ATOM 630 CG LEU A 39 6.331 17.948 -3.282 1.00 0.00 C ATOM 631 CD1 LEU A 39 7.229 17.180 -2.310 1.00 0.00 C ATOM 632 CD2 LEU A 39 7.069 18.143 -4.609 1.00 0.00 C ATOM 0 H LEU A 39 3.622 15.308 -2.694 1.00 0.00 H new ATOM 0 HA LEU A 39 4.697 17.472 -1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.282 16.100 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.559 17.503 -4.436 1.00 0.00 H new ATOM 0 HG LEU A 39 6.082 18.920 -2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.144 17.746 -2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.705 17.038 -1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.479 16.208 -2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.984 18.709 -4.436 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.318 17.170 -5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.431 18.689 -5.304 1.00 0.00 H new ATOM 644 N PHE A 40 2.174 18.356 -3.358 1.00 0.00 N ATOM 645 CA PHE A 40 1.246 19.443 -3.644 1.00 0.00 C ATOM 646 C PHE A 40 0.450 19.811 -2.396 1.00 0.00 C ATOM 647 O PHE A 40 0.120 20.978 -2.179 1.00 0.00 O ATOM 648 CB PHE A 40 0.285 19.028 -4.759 1.00 0.00 C ATOM 649 CG PHE A 40 -0.486 20.235 -5.234 1.00 0.00 C ATOM 650 CD1 PHE A 40 0.187 21.295 -5.855 1.00 0.00 C ATOM 651 CD2 PHE A 40 -1.872 20.295 -5.055 1.00 0.00 C ATOM 652 CE1 PHE A 40 -0.528 22.415 -6.295 1.00 0.00 C ATOM 653 CE2 PHE A 40 -2.587 21.416 -5.496 1.00 0.00 C ATOM 654 CZ PHE A 40 -1.915 22.476 -6.116 1.00 0.00 C ATOM 0 H PHE A 40 1.955 17.476 -3.825 1.00 0.00 H new ATOM 0 HA PHE A 40 1.821 20.312 -3.964 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.840 18.589 -5.588 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.402 18.264 -4.396 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.257 21.248 -5.994 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -2.391 19.477 -4.577 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.009 23.233 -6.773 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -3.657 21.462 -5.358 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.466 23.340 -6.456 1.00 0.00 H new ATOM 664 N LEU A 41 0.146 18.808 -1.579 1.00 0.00 N ATOM 665 CA LEU A 41 -0.611 19.037 -0.353 1.00 0.00 C ATOM 666 C LEU A 41 0.238 19.782 0.665 1.00 0.00 C ATOM 667 O LEU A 41 -0.266 20.284 1.669 1.00 0.00 O ATOM 668 CB LEU A 41 -1.078 17.705 0.235 1.00 0.00 C ATOM 669 CG LEU A 41 -2.533 17.450 -0.167 1.00 0.00 C ATOM 670 CD1 LEU A 41 -3.424 18.549 0.416 1.00 0.00 C ATOM 671 CD2 LEU A 41 -2.648 17.457 -1.693 1.00 0.00 C ATOM 0 H LEU A 41 0.409 17.836 -1.741 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.483 19.645 -0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.443 16.895 -0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.988 17.723 1.321 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.852 16.481 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.460 18.368 0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.342 18.546 1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.106 19.518 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.684 17.276 -1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.329 18.426 -2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.013 16.675 -2.109 1.00 0.00 H new ATOM 683 N ARG A 42 1.529 19.847 0.391 1.00 0.00 N ATOM 684 CA ARG A 42 2.460 20.533 1.280 1.00 0.00 C ATOM 685 C ARG A 42 2.720 21.952 0.786 1.00 0.00 C ATOM 686 O ARG A 42 3.400 22.736 1.449 1.00 0.00 O ATOM 687 CB ARG A 42 3.781 19.764 1.349 1.00 0.00 C ATOM 688 CG ARG A 42 4.781 20.543 2.206 1.00 0.00 C ATOM 689 CD ARG A 42 5.738 21.316 1.298 1.00 0.00 C ATOM 690 NE ARG A 42 6.204 22.526 1.967 1.00 0.00 N ATOM 691 CZ ARG A 42 7.101 22.469 2.946 1.00 0.00 C ATOM 692 NH1 ARG A 42 7.577 21.315 3.328 1.00 0.00 N ATOM 693 NH2 ARG A 42 7.505 23.566 3.527 1.00 0.00 N ATOM 0 H ARG A 42 1.959 19.435 -0.437 1.00 0.00 H new ATOM 0 HA ARG A 42 2.017 20.580 2.275 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.616 18.774 1.774 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.182 19.618 0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.252 21.232 2.865 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.341 19.858 2.843 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.589 20.687 1.035 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.235 21.578 0.367 1.00 0.00 H new ATOM 0 HE ARG A 42 5.835 23.432 1.678 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.260 20.458 2.875 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.265 21.271 4.079 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.132 24.468 3.230 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.193 23.521 4.278 1.00 0.00 H new ATOM 707 N LYS A 43 2.173 22.275 -0.382 1.00 0.00 N ATOM 708 CA LYS A 43 2.349 23.604 -0.955 1.00 0.00 C ATOM 709 C LYS A 43 1.608 24.644 -0.122 1.00 0.00 C ATOM 710 O LYS A 43 1.413 25.780 -0.557 1.00 0.00 O ATOM 711 CB LYS A 43 1.820 23.624 -2.392 1.00 0.00 C ATOM 712 CG LYS A 43 2.903 24.156 -3.334 1.00 0.00 C ATOM 713 CD LYS A 43 2.287 24.451 -4.704 1.00 0.00 C ATOM 714 CE LYS A 43 3.328 25.126 -5.599 1.00 0.00 C ATOM 715 NZ LYS A 43 4.028 24.091 -6.413 1.00 0.00 N ATOM 0 H LYS A 43 1.608 21.640 -0.946 1.00 0.00 H new ATOM 0 HA LYS A 43 3.412 23.846 -0.956 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.523 22.620 -2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.931 24.251 -2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.347 25.061 -2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.705 23.424 -3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.941 23.526 -5.165 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.416 25.096 -4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.845 25.853 -6.252 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.047 25.673 -4.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.736 24.549 -7.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.501 23.414 -5.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.336 23.588 -7.004 1.00 0.00 H new ATOM 729 N ARG A 44 1.197 24.247 1.077 1.00 0.00 N ATOM 730 CA ARG A 44 0.474 25.149 1.968 1.00 0.00 C ATOM 731 C ARG A 44 1.417 26.195 2.553 1.00 0.00 C ATOM 732 O ARG A 44 0.979 27.237 3.039 1.00 0.00 O ATOM 733 CB ARG A 44 -0.174 24.351 3.101 1.00 0.00 C ATOM 734 CG ARG A 44 -1.656 24.716 3.206 1.00 0.00 C ATOM 735 CD ARG A 44 -2.194 24.271 4.567 1.00 0.00 C ATOM 736 NE ARG A 44 -3.519 23.680 4.419 1.00 0.00 N ATOM 737 CZ ARG A 44 -4.336 23.559 5.460 1.00 0.00 C ATOM 738 NH1 ARG A 44 -3.956 23.971 6.638 1.00 0.00 N ATOM 739 NH2 ARG A 44 -5.517 23.027 5.304 1.00 0.00 N ATOM 0 H ARG A 44 1.351 23.312 1.454 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.299 25.657 1.392 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.065 23.283 2.915 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.331 24.564 4.043 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.786 25.791 3.085 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.218 24.235 2.406 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.514 23.547 5.016 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.243 25.125 5.243 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.824 23.354 3.502 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.032 24.386 6.760 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.583 23.878 7.437 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.813 22.704 4.383 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.144 22.934 6.103 1.00 0.00 H new ATOM 753 N GLN A 45 2.712 25.906 2.502 1.00 0.00 N ATOM 754 CA GLN A 45 3.712 26.827 3.030 1.00 0.00 C ATOM 755 C GLN A 45 4.980 26.782 2.183 1.00 0.00 C ATOM 756 O GLN A 45 5.997 26.225 2.596 1.00 0.00 O ATOM 757 CB GLN A 45 4.047 26.462 4.478 1.00 0.00 C ATOM 758 CG GLN A 45 3.981 24.943 4.651 1.00 0.00 C ATOM 759 CD GLN A 45 4.457 24.556 6.047 1.00 0.00 C ATOM 760 OE1 GLN A 45 5.572 23.893 6.186 1.00 0.00 O flip ATOM 761 NE2 GLN A 45 3.795 24.865 7.037 1.00 0.00 N flip ATOM 0 H GLN A 45 3.093 25.048 2.103 1.00 0.00 H new ATOM 0 HA GLN A 45 3.303 27.837 2.998 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.042 26.825 4.734 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.346 26.947 5.158 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.960 24.595 4.497 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.601 24.456 3.898 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.924 25.383 6.926 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.118 24.603 7.968 1.00 0.00 H new ATOM 770 N PRO A 46 4.930 27.359 1.013 1.00 0.00 N ATOM 771 CA PRO A 46 6.090 27.392 0.078 1.00 0.00 C ATOM 772 C PRO A 46 7.386 27.798 0.776 1.00 0.00 C ATOM 773 O PRO A 46 7.362 28.346 1.879 1.00 0.00 O ATOM 774 CB PRO A 46 5.684 28.436 -0.964 1.00 0.00 C ATOM 775 CG PRO A 46 4.191 28.441 -0.957 1.00 0.00 C ATOM 776 CD PRO A 46 3.755 28.043 0.454 1.00 0.00 C ATOM 0 HA PRO A 46 6.297 26.411 -0.349 1.00 0.00 H new ATOM 0 HB2 PRO A 46 6.082 29.419 -0.711 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.072 28.179 -1.950 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.806 29.427 -1.217 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.798 27.741 -1.695 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.482 28.915 1.048 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.885 27.387 0.432 1.00 0.00 H new ATOM 784 N ASP A 47 8.513 27.520 0.129 1.00 0.00 N ATOM 785 CA ASP A 47 9.809 27.853 0.690 1.00 0.00 C ATOM 786 C ASP A 47 10.001 29.359 0.743 1.00 0.00 C ATOM 787 O ASP A 47 11.091 29.873 0.488 1.00 0.00 O ATOM 788 CB ASP A 47 10.928 27.209 -0.130 1.00 0.00 C ATOM 789 CG ASP A 47 12.266 27.396 0.578 1.00 0.00 C ATOM 790 OD1 ASP A 47 12.429 26.837 1.649 1.00 0.00 O ATOM 791 OD2 ASP A 47 13.106 28.096 0.037 1.00 0.00 O ATOM 0 H ASP A 47 8.551 27.065 -0.783 1.00 0.00 H new ATOM 0 HA ASP A 47 9.849 27.463 1.707 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.725 26.147 -0.267 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.967 27.657 -1.123 1.00 0.00 H new ATOM 796 N GLY A 48 8.928 30.054 1.075 1.00 0.00 N ATOM 797 CA GLY A 48 8.962 31.510 1.165 1.00 0.00 C ATOM 798 C GLY A 48 8.853 32.144 -0.217 1.00 0.00 C ATOM 799 O GLY A 48 8.959 31.462 -1.236 1.00 0.00 O ATOM 0 H GLY A 48 8.021 29.638 1.287 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.143 31.858 1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.889 31.827 1.643 1.00 0.00 H new ATOM 803 N PRO A 49 8.645 33.432 -0.264 1.00 0.00 N ATOM 804 CA PRO A 49 8.520 34.183 -1.545 1.00 0.00 C ATOM 805 C PRO A 49 9.867 34.349 -2.245 1.00 0.00 C ATOM 806 O PRO A 49 10.888 33.848 -1.775 1.00 0.00 O ATOM 807 CB PRO A 49 7.955 35.539 -1.117 1.00 0.00 C ATOM 808 CG PRO A 49 8.383 35.715 0.303 1.00 0.00 C ATOM 809 CD PRO A 49 8.507 34.314 0.905 1.00 0.00 C ATOM 0 HA PRO A 49 7.889 33.663 -2.266 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.340 36.342 -1.746 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.869 35.558 -1.205 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.334 36.244 0.357 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.655 36.310 0.855 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.371 34.239 1.565 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.630 34.056 1.498 1.00 0.00 H new ATOM 817 N LEU A 50 9.861 35.053 -3.372 1.00 0.00 N ATOM 818 CA LEU A 50 11.088 35.277 -4.127 1.00 0.00 C ATOM 819 C LEU A 50 10.966 36.531 -4.986 1.00 0.00 C ATOM 820 O LEU A 50 11.470 36.580 -6.108 1.00 0.00 O ATOM 821 CB LEU A 50 11.380 34.067 -5.019 1.00 0.00 C ATOM 822 CG LEU A 50 10.084 33.300 -5.281 1.00 0.00 C ATOM 823 CD1 LEU A 50 9.119 34.183 -6.074 1.00 0.00 C ATOM 824 CD2 LEU A 50 10.395 32.037 -6.086 1.00 0.00 C ATOM 0 H LEU A 50 9.027 35.475 -3.780 1.00 0.00 H new ATOM 0 HA LEU A 50 11.908 35.413 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.818 34.395 -5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.110 33.415 -4.538 1.00 0.00 H new ATOM 0 HG LEU A 50 9.627 33.024 -4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.195 33.636 -6.261 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.898 35.085 -5.503 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.576 34.459 -7.025 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.472 31.489 -6.274 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.852 32.314 -7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.083 31.407 -5.523 1.00 0.00 H new ATOM 836 N GLU A 51 10.293 37.543 -4.449 1.00 0.00 N ATOM 837 CA GLU A 51 10.109 38.795 -5.173 1.00 0.00 C ATOM 838 C GLU A 51 11.406 39.216 -5.857 1.00 0.00 C ATOM 839 O GLU A 51 11.514 39.173 -7.082 1.00 0.00 O ATOM 840 CB GLU A 51 9.661 39.893 -4.205 1.00 0.00 C ATOM 841 CG GLU A 51 8.132 39.942 -4.163 1.00 0.00 C ATOM 842 CD GLU A 51 7.587 40.355 -5.525 1.00 0.00 C ATOM 843 OE1 GLU A 51 8.166 41.244 -6.127 1.00 0.00 O ATOM 844 OE2 GLU A 51 6.599 39.777 -5.945 1.00 0.00 O ATOM 0 H GLU A 51 9.869 37.522 -3.522 1.00 0.00 H new ATOM 0 HA GLU A 51 9.344 38.645 -5.935 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.057 39.698 -3.208 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.058 40.857 -4.523 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.736 38.965 -3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.803 40.649 -3.401 1.00 0.00 H new ATOM 851 N HIS A 52 12.386 39.622 -5.057 1.00 0.00 N ATOM 852 CA HIS A 52 13.671 40.048 -5.598 1.00 0.00 C ATOM 853 C HIS A 52 14.818 39.363 -4.862 1.00 0.00 C ATOM 854 O HIS A 52 15.975 39.767 -4.979 1.00 0.00 O ATOM 855 CB HIS A 52 13.814 41.567 -5.471 1.00 0.00 C ATOM 856 CG HIS A 52 14.014 41.934 -4.027 1.00 0.00 C ATOM 857 ND1 HIS A 52 13.600 41.337 -2.861 1.00 0.00 N flip ATOM 858 CD2 HIS A 52 14.731 43.057 -3.641 1.00 0.00 C flip ATOM 859 CE1 HIS A 52 14.049 42.076 -1.771 1.00 0.00 C flip ATOM 860 NE2 HIS A 52 14.724 43.101 -2.297 1.00 0.00 N flip ATOM 0 H HIS A 52 12.316 39.665 -4.040 1.00 0.00 H new ATOM 0 HA HIS A 52 13.711 39.766 -6.650 1.00 0.00 H new ATOM 0 HB2 HIS A 52 14.659 41.914 -6.066 1.00 0.00 H new ATOM 0 HB3 HIS A 52 12.924 42.060 -5.863 1.00 0.00 H new ATOM 0 HD2 HIS A 52 15.208 43.767 -4.300 1.00 0.00 H new ATOM 0 HE1 HIS A 52 13.886 41.866 -0.724 1.00 0.00 H new ATOM 0 HE2 HIS A 52 15.179 43.829 -1.746 1.00 0.00 H new ATOM 869 N HIS A 53 14.488 38.322 -4.102 1.00 0.00 N ATOM 870 CA HIS A 53 15.498 37.586 -3.349 1.00 0.00 C ATOM 871 C HIS A 53 15.914 36.327 -4.102 1.00 0.00 C ATOM 872 O HIS A 53 15.392 35.241 -3.852 1.00 0.00 O ATOM 873 CB HIS A 53 14.947 37.202 -1.974 1.00 0.00 C ATOM 874 CG HIS A 53 16.076 36.752 -1.087 1.00 0.00 C ATOM 875 ND1 HIS A 53 16.946 35.737 -1.453 1.00 0.00 N ATOM 876 CD2 HIS A 53 16.490 37.170 0.154 1.00 0.00 C ATOM 877 CE1 HIS A 53 17.830 35.579 -0.451 1.00 0.00 C ATOM 878 NE2 HIS A 53 17.596 36.428 0.553 1.00 0.00 N ATOM 0 H HIS A 53 13.536 37.972 -3.992 1.00 0.00 H new ATOM 0 HA HIS A 53 16.371 38.227 -3.224 1.00 0.00 H new ATOM 0 HB2 HIS A 53 14.435 38.053 -1.525 1.00 0.00 H new ATOM 0 HB3 HIS A 53 14.211 36.405 -2.076 1.00 0.00 H new ATOM 0 HD2 HIS A 53 16.027 37.956 0.732 1.00 0.00 H new ATOM 0 HE1 HIS A 53 18.631 34.854 -0.458 1.00 0.00 H new ATOM 0 HE2 HIS A 53 18.117 36.514 1.426 1.00 0.00 H new ATOM 887 N HIS A 54 16.858 36.479 -5.025 1.00 0.00 N ATOM 888 CA HIS A 54 17.336 35.347 -5.809 1.00 0.00 C ATOM 889 C HIS A 54 18.764 35.589 -6.286 1.00 0.00 C ATOM 890 O HIS A 54 19.238 34.936 -7.214 1.00 0.00 O ATOM 891 CB HIS A 54 16.421 35.125 -7.018 1.00 0.00 C ATOM 892 CG HIS A 54 15.634 33.857 -6.832 1.00 0.00 C ATOM 893 ND1 HIS A 54 15.218 33.421 -5.584 1.00 0.00 N ATOM 894 CD2 HIS A 54 15.179 32.920 -7.727 1.00 0.00 C ATOM 895 CE1 HIS A 54 14.547 32.268 -5.760 1.00 0.00 C ATOM 896 NE2 HIS A 54 14.493 31.918 -7.048 1.00 0.00 N ATOM 0 H HIS A 54 17.304 37.369 -5.247 1.00 0.00 H new ATOM 0 HA HIS A 54 17.323 34.460 -5.176 1.00 0.00 H new ATOM 0 HB2 HIS A 54 15.744 35.971 -7.134 1.00 0.00 H new ATOM 0 HB3 HIS A 54 17.015 35.065 -7.930 1.00 0.00 H new ATOM 0 HD1 HIS A 54 15.389 33.889 -4.694 1.00 0.00 H new ATOM 0 HD2 HIS A 54 15.331 32.956 -8.796 1.00 0.00 H new ATOM 0 HE1 HIS A 54 14.106 31.695 -4.958 1.00 0.00 H new ATOM 905 N HIS A 55 19.443 36.534 -5.644 1.00 0.00 N ATOM 906 CA HIS A 55 20.817 36.855 -6.012 1.00 0.00 C ATOM 907 C HIS A 55 20.854 37.611 -7.337 1.00 0.00 C ATOM 908 O HIS A 55 19.964 38.410 -7.632 1.00 0.00 O ATOM 909 CB HIS A 55 21.641 35.572 -6.133 1.00 0.00 C ATOM 910 CG HIS A 55 23.016 35.804 -5.571 1.00 0.00 C ATOM 911 ND1 HIS A 55 23.723 36.973 -5.805 1.00 0.00 N ATOM 912 CD2 HIS A 55 23.828 35.026 -4.783 1.00 0.00 C ATOM 913 CE1 HIS A 55 24.904 36.868 -5.169 1.00 0.00 C ATOM 914 NE2 HIS A 55 25.020 35.700 -4.531 1.00 0.00 N ATOM 0 H HIS A 55 19.068 37.087 -4.873 1.00 0.00 H new ATOM 0 HA HIS A 55 21.242 37.487 -5.232 1.00 0.00 H new ATOM 0 HB2 HIS A 55 21.150 34.760 -5.597 1.00 0.00 H new ATOM 0 HB3 HIS A 55 21.710 35.269 -7.178 1.00 0.00 H new ATOM 0 HD2 HIS A 55 23.580 34.041 -4.415 1.00 0.00 H new ATOM 0 HE1 HIS A 55 25.665 37.634 -5.174 1.00 0.00 H new ATOM 0 HE2 HIS A 55 25.812 35.372 -3.978 1.00 0.00 H new ATOM 923 N HIS A 56 21.889 37.354 -8.130 1.00 0.00 N ATOM 924 CA HIS A 56 22.032 38.015 -9.421 1.00 0.00 C ATOM 925 C HIS A 56 21.137 37.354 -10.465 1.00 0.00 C ATOM 926 O HIS A 56 21.618 36.857 -11.482 1.00 0.00 O ATOM 927 CB HIS A 56 23.489 37.952 -9.882 1.00 0.00 C ATOM 928 CG HIS A 56 23.732 39.009 -10.925 1.00 0.00 C ATOM 929 ND1 HIS A 56 23.015 39.386 -12.033 1.00 0.00 N flip ATOM 930 CD2 HIS A 56 24.846 39.833 -10.896 1.00 0.00 C flip ATOM 931 CE1 HIS A 56 23.670 40.428 -12.683 1.00 0.00 C flip ATOM 932 NE2 HIS A 56 24.767 40.658 -11.956 1.00 0.00 N flip ATOM 0 H HIS A 56 22.636 36.697 -7.903 1.00 0.00 H new ATOM 0 HA HIS A 56 21.731 39.057 -9.309 1.00 0.00 H new ATOM 0 HB2 HIS A 56 24.157 38.103 -9.034 1.00 0.00 H new ATOM 0 HB3 HIS A 56 23.710 36.966 -10.290 1.00 0.00 H new ATOM 0 HD1 HIS A 56 22.136 38.966 -12.334 1.00 0.00 H new ATOM 0 HD2 HIS A 56 25.634 39.816 -10.157 1.00 0.00 H new ATOM 0 HE1 HIS A 56 23.359 40.940 -13.581 1.00 0.00 H new ATOM 941 N HIS A 57 19.834 37.352 -10.205 1.00 0.00 N ATOM 942 CA HIS A 57 18.882 36.749 -11.130 1.00 0.00 C ATOM 943 C HIS A 57 18.852 35.234 -10.955 1.00 0.00 C ATOM 944 O HIS A 57 18.956 34.486 -11.927 1.00 0.00 O ATOM 945 CB HIS A 57 19.269 37.090 -12.570 1.00 0.00 C ATOM 946 CG HIS A 57 18.030 37.394 -13.365 1.00 0.00 C ATOM 947 ND1 HIS A 57 16.970 38.114 -12.837 1.00 0.00 N ATOM 948 CD2 HIS A 57 17.669 37.084 -14.653 1.00 0.00 C ATOM 949 CE1 HIS A 57 16.030 38.214 -13.796 1.00 0.00 C ATOM 950 NE2 HIS A 57 16.406 37.603 -14.924 1.00 0.00 N ATOM 0 H HIS A 57 19.415 37.758 -9.368 1.00 0.00 H new ATOM 0 HA HIS A 57 17.891 37.148 -10.915 1.00 0.00 H new ATOM 0 HB2 HIS A 57 19.942 37.948 -12.583 1.00 0.00 H new ATOM 0 HB3 HIS A 57 19.807 36.256 -13.020 1.00 0.00 H new ATOM 0 HD2 HIS A 57 18.273 36.523 -15.350 1.00 0.00 H new ATOM 0 HE1 HIS A 57 15.087 38.725 -13.669 1.00 0.00 H new ATOM 0 HE2 HIS A 57 15.881 37.532 -15.795 1.00 0.00 H new TER 959 HIS A 57