USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 274 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 THR N :NH3+ 175:sc= -0.267 (180deg=-0.32) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -49:sc= 0.377 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.36) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.024) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -28.494 27.178 3.878 1.00 0.00 N ATOM 2 CA THR A 1 -27.404 26.296 4.260 1.00 0.00 C ATOM 3 C THR A 1 -27.909 25.203 5.204 1.00 0.00 C ATOM 4 O THR A 1 -27.603 24.026 5.018 1.00 0.00 O ATOM 5 CB THR A 1 -26.292 27.155 4.865 1.00 0.00 C ATOM 6 OG1 THR A 1 -25.328 26.207 5.315 1.00 0.00 O ATOM 7 CG2 THR A 1 -26.734 27.872 6.142 1.00 0.00 C ATOM 0 H1 THR A 1 -28.121 27.963 3.306 1.00 0.00 H new ATOM 0 H2 THR A 1 -29.193 26.645 3.321 1.00 0.00 H new ATOM 0 H3 THR A 1 -28.949 27.558 4.733 1.00 0.00 H new ATOM 0 HA THR A 1 -26.997 25.772 3.395 1.00 0.00 H new ATOM 0 HB THR A 1 -25.963 27.891 4.132 1.00 0.00 H new ATOM 0 HG1 THR A 1 -24.570 26.678 5.720 1.00 0.00 H new ATOM 0 HG21 THR A 1 -25.907 28.467 6.530 1.00 0.00 H new ATOM 0 HG22 THR A 1 -27.578 28.525 5.919 1.00 0.00 H new ATOM 0 HG23 THR A 1 -27.032 27.136 6.888 1.00 0.00 H new ATOM 15 N SER A 2 -28.674 25.631 6.198 1.00 0.00 N ATOM 16 CA SER A 2 -29.224 24.703 7.172 1.00 0.00 C ATOM 17 C SER A 2 -30.572 24.169 6.682 1.00 0.00 C ATOM 18 O SER A 2 -31.141 23.262 7.288 1.00 0.00 O ATOM 19 CB SER A 2 -29.383 25.370 8.539 1.00 0.00 C ATOM 20 OG SER A 2 -28.267 25.119 9.389 1.00 0.00 O ATOM 0 H SER A 2 -28.926 26.608 6.350 1.00 0.00 H new ATOM 0 HA SER A 2 -28.529 23.871 7.283 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.503 26.445 8.406 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.292 25.005 9.017 1.00 0.00 H new ATOM 0 HG SER A 2 -28.406 25.563 10.251 1.00 0.00 H new ATOM 26 N SER A 3 -31.043 24.754 5.591 1.00 0.00 N ATOM 27 CA SER A 3 -32.313 24.348 5.013 1.00 0.00 C ATOM 28 C SER A 3 -32.075 23.364 3.865 1.00 0.00 C ATOM 29 O SER A 3 -32.869 23.294 2.929 1.00 0.00 O ATOM 30 CB SER A 3 -33.105 25.559 4.518 1.00 0.00 C ATOM 31 OG SER A 3 -34.446 25.218 4.178 1.00 0.00 O ATOM 0 H SER A 3 -30.568 25.506 5.092 1.00 0.00 H new ATOM 0 HA SER A 3 -32.900 23.856 5.789 1.00 0.00 H new ATOM 0 HB2 SER A 3 -33.111 26.328 5.290 1.00 0.00 H new ATOM 0 HB3 SER A 3 -32.608 25.986 3.647 1.00 0.00 H new ATOM 0 HG SER A 3 -34.446 24.429 3.597 1.00 0.00 H new ATOM 37 N ILE A 4 -30.979 22.628 3.976 1.00 0.00 N ATOM 38 CA ILE A 4 -30.627 21.652 2.960 1.00 0.00 C ATOM 39 C ILE A 4 -30.145 20.368 3.638 1.00 0.00 C ATOM 40 O ILE A 4 -30.741 19.307 3.461 1.00 0.00 O ATOM 41 CB ILE A 4 -29.616 22.244 1.975 1.00 0.00 C ATOM 42 CG1 ILE A 4 -30.308 23.162 0.966 1.00 0.00 C ATOM 43 CG2 ILE A 4 -28.810 21.141 1.287 1.00 0.00 C ATOM 44 CD1 ILE A 4 -29.574 24.499 0.848 1.00 0.00 C ATOM 0 H ILE A 4 -30.323 22.688 4.755 1.00 0.00 H new ATOM 0 HA ILE A 4 -31.502 21.390 2.364 1.00 0.00 H new ATOM 0 HB ILE A 4 -28.910 22.856 2.536 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -30.344 22.675 -0.009 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -31.339 23.335 1.274 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -28.099 21.589 0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -28.270 20.563 2.037 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -29.486 20.483 0.740 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -30.087 25.133 0.124 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -29.561 24.994 1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -28.550 24.324 0.516 1.00 0.00 H new ATOM 56 N VAL A 5 -29.070 20.506 4.400 1.00 0.00 N ATOM 57 CA VAL A 5 -28.501 19.370 5.105 1.00 0.00 C ATOM 58 C VAL A 5 -29.631 18.514 5.679 1.00 0.00 C ATOM 59 O VAL A 5 -29.745 17.332 5.357 1.00 0.00 O ATOM 60 CB VAL A 5 -27.517 19.856 6.172 1.00 0.00 C ATOM 61 CG1 VAL A 5 -27.188 18.738 7.163 1.00 0.00 C ATOM 62 CG2 VAL A 5 -26.245 20.413 5.531 1.00 0.00 C ATOM 0 H VAL A 5 -28.578 21.388 4.545 1.00 0.00 H new ATOM 0 HA VAL A 5 -27.932 18.741 4.420 1.00 0.00 H new ATOM 0 HB VAL A 5 -27.994 20.665 6.726 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -26.487 19.109 7.911 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -28.103 18.408 7.655 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -26.740 17.900 6.630 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -25.563 20.751 6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -25.763 19.633 4.941 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -26.501 21.252 4.884 1.00 0.00 H new ATOM 72 N HIS A 6 -30.439 19.143 6.521 1.00 0.00 N ATOM 73 CA HIS A 6 -31.556 18.454 7.143 1.00 0.00 C ATOM 74 C HIS A 6 -32.226 17.535 6.119 1.00 0.00 C ATOM 75 O HIS A 6 -32.422 16.349 6.379 1.00 0.00 O ATOM 76 CB HIS A 6 -32.530 19.453 7.770 1.00 0.00 C ATOM 77 CG HIS A 6 -33.234 18.935 9.001 1.00 0.00 C ATOM 78 ND1 HIS A 6 -32.635 18.900 10.248 1.00 0.00 N ATOM 79 CD2 HIS A 6 -34.491 18.433 9.164 1.00 0.00 C ATOM 80 CE1 HIS A 6 -33.501 18.397 11.115 1.00 0.00 C ATOM 81 NE2 HIS A 6 -34.651 18.107 10.441 1.00 0.00 N ATOM 0 H HIS A 6 -30.341 20.123 6.787 1.00 0.00 H new ATOM 0 HA HIS A 6 -31.194 17.829 7.959 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -31.986 20.361 8.030 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -33.277 19.731 7.027 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -35.231 18.320 8.386 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -33.327 18.244 12.170 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -35.495 17.706 10.851 1.00 0.00 H new ATOM 90 N LEU A 7 -32.559 18.118 4.977 1.00 0.00 N ATOM 91 CA LEU A 7 -33.203 17.366 3.913 1.00 0.00 C ATOM 92 C LEU A 7 -32.287 16.221 3.477 1.00 0.00 C ATOM 93 O LEU A 7 -32.733 15.084 3.335 1.00 0.00 O ATOM 94 CB LEU A 7 -33.611 18.298 2.770 1.00 0.00 C ATOM 95 CG LEU A 7 -34.858 17.888 1.984 1.00 0.00 C ATOM 96 CD1 LEU A 7 -36.094 18.636 2.487 1.00 0.00 C ATOM 97 CD2 LEU A 7 -34.645 18.079 0.481 1.00 0.00 C ATOM 0 H LEU A 7 -32.395 19.102 4.765 1.00 0.00 H new ATOM 0 HA LEU A 7 -34.128 16.915 4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -33.776 19.294 3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -32.776 18.374 2.074 1.00 0.00 H new ATOM 0 HG LEU A 7 -35.034 16.826 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -36.966 18.326 1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -36.254 18.407 3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -35.943 19.709 2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -35.546 17.780 -0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -34.430 19.127 0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -33.807 17.465 0.151 1.00 0.00 H new ATOM 109 N CYS A 8 -31.022 16.562 3.275 1.00 0.00 N ATOM 110 CA CYS A 8 -30.039 15.577 2.858 1.00 0.00 C ATOM 111 C CYS A 8 -30.195 14.338 3.742 1.00 0.00 C ATOM 112 O CYS A 8 -29.869 13.228 3.324 1.00 0.00 O ATOM 113 CB CYS A 8 -28.617 16.139 2.910 1.00 0.00 C ATOM 114 SG CYS A 8 -27.480 15.052 1.975 1.00 0.00 S ATOM 0 H CYS A 8 -30.656 17.507 3.393 1.00 0.00 H new ATOM 0 HA CYS A 8 -30.214 15.304 1.817 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -28.599 17.145 2.490 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -28.287 16.220 3.946 1.00 0.00 H new ATOM 0 HG CYS A 8 -26.276 15.539 2.024 1.00 0.00 H new ATOM 120 N ALA A 9 -30.694 14.569 4.947 1.00 0.00 N ATOM 121 CA ALA A 9 -30.897 13.485 5.894 1.00 0.00 C ATOM 122 C ALA A 9 -32.275 12.862 5.660 1.00 0.00 C ATOM 123 O ALA A 9 -33.037 12.661 6.604 1.00 0.00 O ATOM 124 CB ALA A 9 -30.731 14.015 7.319 1.00 0.00 C ATOM 0 H ALA A 9 -30.964 15.491 5.290 1.00 0.00 H new ATOM 0 HA ALA A 9 -30.152 12.703 5.749 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -30.883 13.202 8.029 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -29.727 14.421 7.442 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -31.465 14.800 7.503 1.00 0.00 H new ATOM 130 N ILE A 10 -32.552 12.572 4.397 1.00 0.00 N ATOM 131 CA ILE A 10 -33.824 11.976 4.028 1.00 0.00 C ATOM 132 C ILE A 10 -33.587 10.887 2.980 1.00 0.00 C ATOM 133 O ILE A 10 -34.006 9.744 3.161 1.00 0.00 O ATOM 134 CB ILE A 10 -34.812 13.055 3.580 1.00 0.00 C ATOM 135 CG1 ILE A 10 -35.127 14.019 4.725 1.00 0.00 C ATOM 136 CG2 ILE A 10 -36.078 12.429 2.992 1.00 0.00 C ATOM 137 CD1 ILE A 10 -35.957 13.330 5.810 1.00 0.00 C ATOM 0 H ILE A 10 -31.917 12.739 3.617 1.00 0.00 H new ATOM 0 HA ILE A 10 -34.283 11.494 4.891 1.00 0.00 H new ATOM 0 HB ILE A 10 -34.344 13.639 2.787 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -34.198 14.393 5.156 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -35.670 14.882 4.340 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -36.763 13.218 2.682 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -35.814 11.817 2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -36.559 11.806 3.746 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -36.167 14.038 6.612 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -36.896 12.978 5.382 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -35.401 12.482 6.210 1.00 0.00 H new ATOM 149 N SER A 11 -32.915 11.278 1.907 1.00 0.00 N ATOM 150 CA SER A 11 -32.617 10.349 0.830 1.00 0.00 C ATOM 151 C SER A 11 -31.649 9.271 1.323 1.00 0.00 C ATOM 152 O SER A 11 -31.822 8.092 1.018 1.00 0.00 O ATOM 153 CB SER A 11 -32.028 11.079 -0.379 1.00 0.00 C ATOM 154 OG SER A 11 -32.390 10.454 -1.607 1.00 0.00 O ATOM 0 H SER A 11 -32.568 12.226 1.760 1.00 0.00 H new ATOM 0 HA SER A 11 -33.548 9.877 0.517 1.00 0.00 H new ATOM 0 HB2 SER A 11 -32.374 12.113 -0.382 1.00 0.00 H new ATOM 0 HB3 SER A 11 -30.942 11.106 -0.292 1.00 0.00 H new ATOM 0 HG SER A 11 -31.997 10.950 -2.355 1.00 0.00 H new ATOM 160 N LEU A 12 -30.652 9.714 2.075 1.00 0.00 N ATOM 161 CA LEU A 12 -29.657 8.802 2.612 1.00 0.00 C ATOM 162 C LEU A 12 -30.337 7.815 3.563 1.00 0.00 C ATOM 163 O LEU A 12 -30.187 6.602 3.416 1.00 0.00 O ATOM 164 CB LEU A 12 -28.507 9.580 3.253 1.00 0.00 C ATOM 165 CG LEU A 12 -27.815 10.612 2.360 1.00 0.00 C ATOM 166 CD1 LEU A 12 -26.894 11.517 3.180 1.00 0.00 C ATOM 167 CD2 LEU A 12 -27.073 9.931 1.209 1.00 0.00 C ATOM 0 H LEU A 12 -30.512 10.693 2.325 1.00 0.00 H new ATOM 0 HA LEU A 12 -29.207 8.215 1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -28.889 10.091 4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -27.758 8.866 3.596 1.00 0.00 H new ATOM 0 HG LEU A 12 -28.581 11.249 1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -26.415 12.241 2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -27.479 12.044 3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -26.131 10.912 3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -26.590 10.687 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -26.318 9.256 1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -27.781 9.365 0.604 1.00 0.00 H new ATOM 179 N ASP A 13 -31.071 8.370 4.516 1.00 0.00 N ATOM 180 CA ASP A 13 -31.774 7.554 5.491 1.00 0.00 C ATOM 181 C ASP A 13 -32.493 6.412 4.769 1.00 0.00 C ATOM 182 O ASP A 13 -32.601 5.308 5.300 1.00 0.00 O ATOM 183 CB ASP A 13 -32.825 8.375 6.241 1.00 0.00 C ATOM 184 CG ASP A 13 -33.118 7.902 7.666 1.00 0.00 C ATOM 185 OD1 ASP A 13 -32.198 7.306 8.267 1.00 0.00 O ATOM 186 OD2 ASP A 13 -34.255 8.148 8.123 1.00 0.00 O ATOM 0 H ASP A 13 -31.194 9.376 4.634 1.00 0.00 H new ATOM 0 HA ASP A 13 -31.042 7.171 6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -32.494 9.413 6.279 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -33.753 8.357 5.670 1.00 0.00 H new ATOM 191 N ARG A 14 -32.967 6.717 3.570 1.00 0.00 N ATOM 192 CA ARG A 14 -33.672 5.731 2.771 1.00 0.00 C ATOM 193 C ARG A 14 -32.808 4.482 2.585 1.00 0.00 C ATOM 194 O ARG A 14 -33.317 3.362 2.601 1.00 0.00 O ATOM 195 CB ARG A 14 -34.042 6.296 1.398 1.00 0.00 C ATOM 196 CG ARG A 14 -35.286 5.604 0.837 1.00 0.00 C ATOM 197 CD ARG A 14 -35.338 5.723 -0.688 1.00 0.00 C ATOM 198 NE ARG A 14 -36.744 5.699 -1.149 1.00 0.00 N ATOM 199 CZ ARG A 14 -37.546 6.772 -1.172 1.00 0.00 C ATOM 200 NH1 ARG A 14 -37.085 7.961 -0.760 1.00 0.00 N ATOM 201 NH2 ARG A 14 -38.808 6.657 -1.607 1.00 0.00 N ATOM 0 H ARG A 14 -32.876 7.634 3.133 1.00 0.00 H new ATOM 0 HA ARG A 14 -34.587 5.468 3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -34.223 7.368 1.479 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -33.207 6.165 0.710 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -35.282 4.552 1.123 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -36.181 6.049 1.271 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -34.858 6.649 -1.005 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -34.783 4.903 -1.144 1.00 0.00 H new ATOM 0 HE ARG A 14 -37.127 4.809 -1.469 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -36.124 8.049 -0.429 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -37.695 8.778 -0.777 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -39.159 5.752 -1.921 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -39.418 7.474 -1.624 1.00 0.00 H new ATOM 215 N TYR A 15 -31.515 4.716 2.412 1.00 0.00 N ATOM 216 CA TYR A 15 -30.576 3.624 2.223 1.00 0.00 C ATOM 217 C TYR A 15 -30.029 3.133 3.565 1.00 0.00 C ATOM 218 O TYR A 15 -29.605 1.985 3.684 1.00 0.00 O ATOM 219 CB TYR A 15 -29.424 4.198 1.395 1.00 0.00 C ATOM 220 CG TYR A 15 -29.845 4.721 0.021 1.00 0.00 C ATOM 221 CD1 TYR A 15 -30.439 3.870 -0.889 1.00 0.00 C ATOM 222 CD2 TYR A 15 -29.632 6.044 -0.309 1.00 0.00 C ATOM 223 CE1 TYR A 15 -30.836 4.363 -2.183 1.00 0.00 C ATOM 224 CE2 TYR A 15 -30.029 6.537 -1.602 1.00 0.00 C ATOM 225 CZ TYR A 15 -30.611 5.672 -2.476 1.00 0.00 C ATOM 226 OH TYR A 15 -30.986 6.137 -3.697 1.00 0.00 O ATOM 0 H TYR A 15 -31.096 5.646 2.399 1.00 0.00 H new ATOM 0 HA TYR A 15 -31.062 2.779 1.735 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -28.958 5.009 1.954 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -28.666 3.426 1.262 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -30.606 2.835 -0.631 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -29.167 6.710 0.403 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -31.302 3.708 -2.904 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -29.868 7.570 -1.872 1.00 0.00 H new ATOM 0 HH TYR A 15 -30.765 7.089 -3.766 1.00 0.00 H new ATOM 236 N TRP A 16 -30.055 4.028 4.542 1.00 0.00 N ATOM 237 CA TRP A 16 -29.567 3.701 5.870 1.00 0.00 C ATOM 238 C TRP A 16 -30.209 2.379 6.297 1.00 0.00 C ATOM 239 O TRP A 16 -29.588 1.581 6.999 1.00 0.00 O ATOM 240 CB TRP A 16 -29.840 4.842 6.852 1.00 0.00 C ATOM 241 CG TRP A 16 -29.693 4.447 8.323 1.00 0.00 C ATOM 242 CD1 TRP A 16 -30.613 4.522 9.293 1.00 0.00 C ATOM 243 CD2 TRP A 16 -28.512 3.908 8.954 1.00 0.00 C ATOM 244 NE1 TRP A 16 -30.114 4.074 10.499 1.00 0.00 N ATOM 245 CE2 TRP A 16 -28.796 3.688 10.286 1.00 0.00 C ATOM 246 CE3 TRP A 16 -27.246 3.615 8.417 1.00 0.00 C ATOM 247 CZ2 TRP A 16 -27.865 3.166 11.193 1.00 0.00 C ATOM 248 CZ3 TRP A 16 -26.327 3.095 9.335 1.00 0.00 C ATOM 249 CH2 TRP A 16 -26.597 2.868 10.680 1.00 0.00 C ATOM 0 H TRP A 16 -30.407 4.980 4.440 1.00 0.00 H new ATOM 0 HA TRP A 16 -28.484 3.577 5.863 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -29.157 5.664 6.637 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -30.850 5.216 6.686 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -31.619 4.887 9.150 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -30.619 4.034 11.384 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -27.002 3.778 7.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -28.112 3.002 12.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -25.338 2.853 8.974 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -25.832 2.464 11.326 1.00 0.00 H new ATOM 260 N SER A 17 -31.443 2.187 5.856 1.00 0.00 N ATOM 261 CA SER A 17 -32.176 0.976 6.183 1.00 0.00 C ATOM 262 C SER A 17 -32.073 -0.025 5.030 1.00 0.00 C ATOM 263 O SER A 17 -33.023 -0.755 4.751 1.00 0.00 O ATOM 264 CB SER A 17 -33.642 1.285 6.489 1.00 0.00 C ATOM 265 OG SER A 17 -34.055 0.736 7.737 1.00 0.00 O ATOM 0 H SER A 17 -31.954 2.851 5.274 1.00 0.00 H new ATOM 0 HA SER A 17 -31.732 0.538 7.077 1.00 0.00 H new ATOM 0 HB2 SER A 17 -33.790 2.365 6.502 1.00 0.00 H new ATOM 0 HB3 SER A 17 -34.270 0.887 5.692 1.00 0.00 H new ATOM 0 HG SER A 17 -34.996 0.957 7.896 1.00 0.00 H new ATOM 271 N ILE A 18 -30.912 -0.028 4.392 1.00 0.00 N ATOM 272 CA ILE A 18 -30.673 -0.927 3.277 1.00 0.00 C ATOM 273 C ILE A 18 -29.244 -1.468 3.360 1.00 0.00 C ATOM 274 O ILE A 18 -29.026 -2.674 3.253 1.00 0.00 O ATOM 275 CB ILE A 18 -30.991 -0.232 1.951 1.00 0.00 C ATOM 276 CG1 ILE A 18 -32.499 -0.210 1.692 1.00 0.00 C ATOM 277 CG2 ILE A 18 -30.220 -0.876 0.796 1.00 0.00 C ATOM 278 CD1 ILE A 18 -32.850 0.790 0.588 1.00 0.00 C ATOM 0 H ILE A 18 -30.126 0.579 4.627 1.00 0.00 H new ATOM 0 HA ILE A 18 -31.343 -1.785 3.330 1.00 0.00 H new ATOM 0 HB ILE A 18 -30.661 0.805 2.020 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -32.837 -1.206 1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -33.025 0.055 2.609 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -30.464 -0.364 -0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -29.149 -0.797 0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -30.497 -1.927 0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -33.927 0.787 0.423 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -32.532 1.789 0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -32.341 0.508 -0.334 1.00 0.00 H new ATOM 290 N THR A 19 -28.308 -0.550 3.551 1.00 0.00 N ATOM 291 CA THR A 19 -26.907 -0.920 3.650 1.00 0.00 C ATOM 292 C THR A 19 -26.732 -2.097 4.612 1.00 0.00 C ATOM 293 O THR A 19 -25.897 -2.970 4.386 1.00 0.00 O ATOM 294 CB THR A 19 -26.117 0.324 4.062 1.00 0.00 C ATOM 295 OG1 THR A 19 -25.987 1.069 2.854 1.00 0.00 O ATOM 296 CG2 THR A 19 -24.675 -0.001 4.456 1.00 0.00 C ATOM 0 H THR A 19 -28.493 0.449 3.640 1.00 0.00 H new ATOM 0 HA THR A 19 -26.521 -1.265 2.691 1.00 0.00 H new ATOM 0 HB THR A 19 -26.620 0.812 4.897 1.00 0.00 H new ATOM 0 HG1 THR A 19 -25.488 1.894 3.030 1.00 0.00 H new ATOM 0 HG21 THR A 19 -24.160 0.917 4.739 1.00 0.00 H new ATOM 0 HG22 THR A 19 -24.675 -0.692 5.299 1.00 0.00 H new ATOM 0 HG23 THR A 19 -24.161 -0.459 3.611 1.00 0.00 H new ATOM 304 N GLN A 20 -27.535 -2.081 5.666 1.00 0.00 N ATOM 305 CA GLN A 20 -27.480 -3.136 6.664 1.00 0.00 C ATOM 306 C GLN A 20 -27.743 -4.496 6.014 1.00 0.00 C ATOM 307 O GLN A 20 -27.136 -5.496 6.393 1.00 0.00 O ATOM 308 CB GLN A 20 -28.471 -2.869 7.799 1.00 0.00 C ATOM 309 CG GLN A 20 -27.741 -2.656 9.126 1.00 0.00 C ATOM 310 CD GLN A 20 -26.840 -3.848 9.455 1.00 0.00 C ATOM 311 OE1 GLN A 20 -27.251 -4.997 9.422 1.00 0.00 O ATOM 312 NE2 GLN A 20 -25.593 -3.513 9.773 1.00 0.00 N ATOM 0 H GLN A 20 -28.227 -1.355 5.851 1.00 0.00 H new ATOM 0 HA GLN A 20 -26.479 -3.150 7.096 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -29.070 -1.989 7.564 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -29.160 -3.709 7.890 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -27.142 -1.747 9.074 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -28.468 -2.513 9.926 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -25.315 -2.532 9.781 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -24.915 -4.237 10.009 1.00 0.00 H new ATOM 321 N ALA A 21 -28.648 -4.488 5.047 1.00 0.00 N ATOM 322 CA ALA A 21 -28.999 -5.709 4.341 1.00 0.00 C ATOM 323 C ALA A 21 -28.155 -5.818 3.070 1.00 0.00 C ATOM 324 O ALA A 21 -28.694 -5.911 1.968 1.00 0.00 O ATOM 325 CB ALA A 21 -30.501 -5.715 4.046 1.00 0.00 C ATOM 0 H ALA A 21 -29.149 -3.656 4.735 1.00 0.00 H new ATOM 0 HA ALA A 21 -28.784 -6.583 4.956 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -30.764 -6.631 3.517 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -31.056 -5.665 4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -30.754 -4.853 3.428 1.00 0.00 H new ATOM 331 N ILE A 22 -26.844 -5.804 3.265 1.00 0.00 N ATOM 332 CA ILE A 22 -25.920 -5.900 2.148 1.00 0.00 C ATOM 333 C ILE A 22 -24.584 -6.456 2.644 1.00 0.00 C ATOM 334 O ILE A 22 -24.150 -7.521 2.209 1.00 0.00 O ATOM 335 CB ILE A 22 -25.800 -4.552 1.435 1.00 0.00 C ATOM 336 CG1 ILE A 22 -27.080 -4.223 0.664 1.00 0.00 C ATOM 337 CG2 ILE A 22 -24.563 -4.517 0.534 1.00 0.00 C ATOM 338 CD1 ILE A 22 -26.850 -3.067 -0.312 1.00 0.00 C ATOM 0 H ILE A 22 -26.400 -5.728 4.180 1.00 0.00 H new ATOM 0 HA ILE A 22 -26.297 -6.597 1.400 1.00 0.00 H new ATOM 0 HB ILE A 22 -25.671 -3.777 2.190 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -27.416 -5.104 0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -27.873 -3.960 1.364 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -24.501 -3.548 0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -23.669 -4.674 1.137 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -24.637 -5.304 -0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -27.775 -2.853 -0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -26.537 -2.181 0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -26.073 -3.342 -1.026 1.00 0.00 H new ATOM 350 N GLU A 23 -23.968 -5.708 3.548 1.00 0.00 N ATOM 351 CA GLU A 23 -22.689 -6.112 4.108 1.00 0.00 C ATOM 352 C GLU A 23 -22.752 -7.567 4.578 1.00 0.00 C ATOM 353 O GLU A 23 -21.729 -8.247 4.640 1.00 0.00 O ATOM 354 CB GLU A 23 -22.273 -5.184 5.251 1.00 0.00 C ATOM 355 CG GLU A 23 -20.857 -5.507 5.732 1.00 0.00 C ATOM 356 CD GLU A 23 -19.834 -4.557 5.105 1.00 0.00 C ATOM 357 OE1 GLU A 23 -19.699 -4.607 3.863 1.00 0.00 O ATOM 358 OE2 GLU A 23 -19.211 -3.802 5.882 1.00 0.00 O ATOM 0 H GLU A 23 -24.331 -4.825 3.907 1.00 0.00 H new ATOM 0 HA GLU A 23 -21.932 -6.035 3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -22.320 -4.147 4.918 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -22.974 -5.285 6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -20.812 -5.430 6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -20.608 -6.536 5.475 1.00 0.00 H new ATOM 365 N TYR A 24 -23.962 -8.000 4.898 1.00 0.00 N ATOM 366 CA TYR A 24 -24.171 -9.362 5.361 1.00 0.00 C ATOM 367 C TYR A 24 -23.647 -10.374 4.340 1.00 0.00 C ATOM 368 O TYR A 24 -23.126 -11.424 4.714 1.00 0.00 O ATOM 369 CB TYR A 24 -25.685 -9.532 5.499 1.00 0.00 C ATOM 370 CG TYR A 24 -26.102 -10.561 6.552 1.00 0.00 C ATOM 371 CD1 TYR A 24 -26.306 -10.166 7.859 1.00 0.00 C ATOM 372 CD2 TYR A 24 -26.275 -11.883 6.195 1.00 0.00 C ATOM 373 CE1 TYR A 24 -26.698 -11.134 8.850 1.00 0.00 C ATOM 374 CE2 TYR A 24 -26.668 -12.851 7.186 1.00 0.00 C ATOM 375 CZ TYR A 24 -26.860 -12.429 8.465 1.00 0.00 C ATOM 376 OH TYR A 24 -27.230 -13.343 9.401 1.00 0.00 O ATOM 0 H TYR A 24 -24.808 -7.432 4.846 1.00 0.00 H new ATOM 0 HA TYR A 24 -23.644 -9.534 6.299 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -26.127 -8.568 5.752 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -26.097 -9.828 4.534 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -26.172 -9.131 8.138 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -26.116 -12.191 5.172 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -26.860 -10.839 9.876 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -26.807 -13.888 6.920 1.00 0.00 H new ATOM 0 HH TYR A 24 -27.309 -14.226 8.983 1.00 0.00 H new ATOM 386 N ASN A 25 -23.803 -10.024 3.072 1.00 0.00 N ATOM 387 CA ASN A 25 -23.352 -10.889 1.996 1.00 0.00 C ATOM 388 C ASN A 25 -22.350 -10.130 1.123 1.00 0.00 C ATOM 389 O ASN A 25 -22.626 -9.848 -0.042 1.00 0.00 O ATOM 390 CB ASN A 25 -24.521 -11.319 1.108 1.00 0.00 C ATOM 391 CG ASN A 25 -25.303 -12.468 1.750 1.00 0.00 C ATOM 392 OD1 ASN A 25 -26.483 -12.363 2.042 1.00 0.00 O ATOM 393 ND2 ASN A 25 -24.581 -13.566 1.952 1.00 0.00 N ATOM 0 H ASN A 25 -24.236 -9.153 2.766 1.00 0.00 H new ATOM 0 HA ASN A 25 -22.895 -11.772 2.443 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -25.185 -10.472 0.939 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -24.147 -11.629 0.133 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -25.011 -14.388 2.375 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -23.597 -13.586 1.684 1.00 0.00 H new ATOM 400 N LEU A 26 -21.209 -9.820 1.720 1.00 0.00 N ATOM 401 CA LEU A 26 -20.165 -9.099 1.012 1.00 0.00 C ATOM 402 C LEU A 26 -18.860 -9.894 1.089 1.00 0.00 C ATOM 403 O LEU A 26 -18.351 -10.360 0.071 1.00 0.00 O ATOM 404 CB LEU A 26 -20.047 -7.669 1.542 1.00 0.00 C ATOM 405 CG LEU A 26 -19.528 -6.627 0.550 1.00 0.00 C ATOM 406 CD1 LEU A 26 -19.765 -5.208 1.071 1.00 0.00 C ATOM 407 CD2 LEU A 26 -18.056 -6.875 0.213 1.00 0.00 C ATOM 0 H LEU A 26 -20.984 -10.055 2.687 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.418 -9.002 -0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -21.029 -7.350 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -19.386 -7.677 2.409 1.00 0.00 H new ATOM 0 HG LEU A 26 -20.092 -6.728 -0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.387 -4.487 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -20.833 -5.048 1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.244 -5.077 2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -17.712 -6.120 -0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -17.460 -6.817 1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.946 -7.864 -0.231 1.00 0.00 H new ATOM 419 N LYS A 27 -18.355 -10.023 2.308 1.00 0.00 N ATOM 420 CA LYS A 27 -17.119 -10.753 2.532 1.00 0.00 C ATOM 421 C LYS A 27 -17.288 -11.677 3.739 1.00 0.00 C ATOM 422 O LYS A 27 -16.682 -11.455 4.786 1.00 0.00 O ATOM 423 CB LYS A 27 -15.941 -9.785 2.659 1.00 0.00 C ATOM 424 CG LYS A 27 -14.614 -10.543 2.739 1.00 0.00 C ATOM 425 CD LYS A 27 -13.445 -9.581 2.964 1.00 0.00 C ATOM 426 CE LYS A 27 -12.291 -10.280 3.685 1.00 0.00 C ATOM 427 NZ LYS A 27 -11.822 -9.462 4.825 1.00 0.00 N ATOM 0 H LYS A 27 -18.780 -9.634 3.150 1.00 0.00 H new ATOM 0 HA LYS A 27 -16.891 -11.387 1.675 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -15.927 -9.110 1.804 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -16.066 -9.169 3.550 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.654 -11.268 3.552 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -14.456 -11.104 1.818 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.099 -9.194 2.006 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.781 -8.726 3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.615 -11.258 4.040 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.469 -10.450 2.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.039 -9.951 5.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.493 -8.538 4.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.604 -9.321 5.496 1.00 0.00 H new ATOM 441 N ARG A 28 -18.117 -12.694 3.553 1.00 0.00 N ATOM 442 CA ARG A 28 -18.374 -13.653 4.614 1.00 0.00 C ATOM 443 C ARG A 28 -18.095 -15.075 4.124 1.00 0.00 C ATOM 444 O ARG A 28 -17.907 -15.298 2.929 1.00 0.00 O ATOM 445 CB ARG A 28 -19.823 -13.563 5.098 1.00 0.00 C ATOM 446 CG ARG A 28 -19.885 -13.440 6.622 1.00 0.00 C ATOM 447 CD ARG A 28 -21.315 -13.165 7.092 1.00 0.00 C ATOM 448 NE ARG A 28 -21.532 -13.759 8.430 1.00 0.00 N ATOM 449 CZ ARG A 28 -21.806 -15.054 8.641 1.00 0.00 C ATOM 450 NH1 ARG A 28 -21.898 -15.897 7.604 1.00 0.00 N ATOM 451 NH2 ARG A 28 -21.987 -15.505 9.890 1.00 0.00 N ATOM 0 H ARG A 28 -18.619 -12.875 2.684 1.00 0.00 H new ATOM 0 HA ARG A 28 -17.709 -13.415 5.444 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -20.310 -12.702 4.640 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -20.373 -14.448 4.778 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -19.518 -14.359 7.080 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -19.229 -12.635 6.953 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -21.494 -12.090 7.129 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -22.027 -13.582 6.380 1.00 0.00 H new ATOM 0 HE ARG A 28 -21.469 -13.145 9.242 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -21.760 -15.553 6.654 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -22.106 -16.882 7.765 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -21.916 -14.863 10.679 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -22.196 -16.490 10.051 1.00 0.00 H new ATOM 465 N THR A 29 -18.076 -16.001 5.072 1.00 0.00 N ATOM 466 CA THR A 29 -17.822 -17.395 4.751 1.00 0.00 C ATOM 467 C THR A 29 -16.431 -17.557 4.136 1.00 0.00 C ATOM 468 O THR A 29 -16.303 -17.826 2.943 1.00 0.00 O ATOM 469 CB THR A 29 -18.950 -17.883 3.840 1.00 0.00 C ATOM 470 OG1 THR A 29 -20.099 -17.890 4.683 1.00 0.00 O ATOM 471 CG2 THR A 29 -18.779 -19.348 3.430 1.00 0.00 C ATOM 0 H THR A 29 -18.232 -15.813 6.062 1.00 0.00 H new ATOM 0 HA THR A 29 -17.819 -18.013 5.649 1.00 0.00 H new ATOM 0 HB THR A 29 -18.992 -17.259 2.947 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.878 -18.193 4.171 1.00 0.00 H new ATOM 0 HG21 THR A 29 -19.606 -19.644 2.784 1.00 0.00 H new ATOM 0 HG22 THR A 29 -17.838 -19.468 2.893 1.00 0.00 H new ATOM 0 HG23 THR A 29 -18.771 -19.977 4.321 1.00 0.00 H new ATOM 479 N PRO A 30 -15.396 -17.380 5.000 1.00 0.00 N ATOM 480 CA PRO A 30 -14.019 -17.503 4.554 1.00 0.00 C ATOM 481 C PRO A 30 -13.639 -18.971 4.345 1.00 0.00 C ATOM 482 O PRO A 30 -12.796 -19.506 5.064 1.00 0.00 O ATOM 483 CB PRO A 30 -13.193 -16.824 5.635 1.00 0.00 C ATOM 484 CG PRO A 30 -14.087 -16.758 6.862 1.00 0.00 C ATOM 485 CD PRO A 30 -15.509 -17.060 6.420 1.00 0.00 C ATOM 0 HA PRO A 30 -13.847 -17.033 3.586 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.284 -17.388 5.844 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.885 -15.826 5.322 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.759 -17.478 7.612 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.032 -15.771 7.322 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -15.929 -17.894 6.982 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.164 -16.204 6.582 1.00 0.00 H new ATOM 493 N ARG A 31 -14.280 -19.580 3.359 1.00 0.00 N ATOM 494 CA ARG A 31 -14.020 -20.975 3.046 1.00 0.00 C ATOM 495 C ARG A 31 -13.147 -21.085 1.795 1.00 0.00 C ATOM 496 O ARG A 31 -13.475 -20.520 0.753 1.00 0.00 O ATOM 497 CB ARG A 31 -15.325 -21.740 2.818 1.00 0.00 C ATOM 498 CG ARG A 31 -15.970 -21.340 1.489 1.00 0.00 C ATOM 499 CD ARG A 31 -17.450 -21.728 1.459 1.00 0.00 C ATOM 500 NE ARG A 31 -18.201 -20.791 0.595 1.00 0.00 N ATOM 501 CZ ARG A 31 -18.054 -20.713 -0.735 1.00 0.00 C ATOM 502 NH1 ARG A 31 -17.183 -21.516 -1.361 1.00 0.00 N ATOM 503 NH2 ARG A 31 -18.778 -19.833 -1.439 1.00 0.00 N ATOM 0 H ARG A 31 -14.979 -19.133 2.766 1.00 0.00 H new ATOM 0 HA ARG A 31 -13.498 -21.414 3.896 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -15.128 -22.812 2.823 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -16.016 -21.539 3.637 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.869 -20.265 1.341 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -15.446 -21.826 0.666 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -17.560 -22.747 1.087 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -17.859 -21.712 2.469 1.00 0.00 H new ATOM 0 HE ARG A 31 -18.873 -20.165 1.039 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -16.632 -22.187 -0.825 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -17.071 -21.457 -2.373 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -19.442 -19.222 -0.963 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -18.666 -19.774 -2.451 1.00 0.00 H new ATOM 517 N ARG A 32 -12.051 -21.815 1.940 1.00 0.00 N ATOM 518 CA ARG A 32 -11.128 -22.006 0.834 1.00 0.00 C ATOM 519 C ARG A 32 -11.532 -23.231 0.011 1.00 0.00 C ATOM 520 O ARG A 32 -12.440 -23.156 -0.815 1.00 0.00 O ATOM 521 CB ARG A 32 -9.695 -22.189 1.339 1.00 0.00 C ATOM 522 CG ARG A 32 -8.746 -21.193 0.669 1.00 0.00 C ATOM 523 CD ARG A 32 -7.290 -21.642 0.810 1.00 0.00 C ATOM 524 NE ARG A 32 -6.510 -20.610 1.528 1.00 0.00 N ATOM 525 CZ ARG A 32 -6.149 -19.435 0.995 1.00 0.00 C ATOM 526 NH1 ARG A 32 -6.496 -19.135 -0.264 1.00 0.00 N ATOM 527 NH2 ARG A 32 -5.441 -18.559 1.722 1.00 0.00 N ATOM 0 H ARG A 32 -11.781 -22.281 2.806 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.170 -21.114 0.209 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.666 -22.053 2.420 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.362 -23.207 1.137 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.000 -21.097 -0.387 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.871 -20.208 1.118 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.243 -22.587 1.351 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.858 -21.817 -0.175 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.230 -20.805 2.489 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.035 -19.801 -0.817 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.221 -18.240 -0.669 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.177 -18.787 2.681 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.166 -17.664 1.317 1.00 0.00 H new TER 541 ARG A 32