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 Set 1.1: A 11 SER OG : rot 180:sc= -0.0213 USER MOD Set 1.2: A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 THR N :NH3+ -162:sc= -0.325 (180deg=-1.35!) USER MOD Single : A 1 THR OG1 : rot -8:sc= 0.317 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 8 CYS SG : 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 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.567 K(o=0.57,f=0) 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 -31.238 26.787 6.574 1.00 0.00 N ATOM 2 CA THR A 1 -31.169 25.813 5.499 1.00 0.00 C ATOM 3 C THR A 1 -32.313 24.804 5.619 1.00 0.00 C ATOM 4 O THR A 1 -32.270 23.910 6.463 1.00 0.00 O ATOM 5 CB THR A 1 -29.782 25.167 5.534 1.00 0.00 C ATOM 6 OG1 THR A 1 -29.859 24.240 6.614 1.00 0.00 O ATOM 7 CG2 THR A 1 -28.690 26.148 5.963 1.00 0.00 C ATOM 0 H1 THR A 1 -30.669 27.621 6.324 1.00 0.00 H new ATOM 0 H2 THR A 1 -32.227 27.074 6.720 1.00 0.00 H new ATOM 0 H3 THR A 1 -30.867 26.365 7.449 1.00 0.00 H new ATOM 0 HA THR A 1 -31.297 26.288 4.526 1.00 0.00 H new ATOM 0 HB THR A 1 -29.543 24.766 4.549 1.00 0.00 H new ATOM 0 HG1 THR A 1 -30.700 24.373 7.100 1.00 0.00 H new ATOM 0 HG21 THR A 1 -27.726 25.639 5.971 1.00 0.00 H new ATOM 0 HG22 THR A 1 -28.654 26.982 5.262 1.00 0.00 H new ATOM 0 HG23 THR A 1 -28.910 26.524 6.962 1.00 0.00 H new ATOM 15 N SER A 2 -33.308 24.982 4.763 1.00 0.00 N ATOM 16 CA SER A 2 -34.461 24.098 4.763 1.00 0.00 C ATOM 17 C SER A 2 -34.486 23.270 3.476 1.00 0.00 C ATOM 18 O SER A 2 -35.196 22.269 3.391 1.00 0.00 O ATOM 19 CB SER A 2 -35.762 24.890 4.909 1.00 0.00 C ATOM 20 OG SER A 2 -36.346 24.723 6.198 1.00 0.00 O ATOM 0 H SER A 2 -33.340 25.725 4.065 1.00 0.00 H new ATOM 0 HA SER A 2 -34.377 23.427 5.618 1.00 0.00 H new ATOM 0 HB2 SER A 2 -35.564 25.948 4.735 1.00 0.00 H new ATOM 0 HB3 SER A 2 -36.470 24.568 4.145 1.00 0.00 H new ATOM 0 HG SER A 2 -37.173 25.245 6.252 1.00 0.00 H new ATOM 26 N SER A 3 -33.702 23.719 2.507 1.00 0.00 N ATOM 27 CA SER A 3 -33.625 23.032 1.228 1.00 0.00 C ATOM 28 C SER A 3 -32.312 22.254 1.131 1.00 0.00 C ATOM 29 O SER A 3 -31.815 22.002 0.034 1.00 0.00 O ATOM 30 CB SER A 3 -33.746 24.018 0.065 1.00 0.00 C ATOM 31 OG SER A 3 -34.573 23.513 -0.980 1.00 0.00 O ATOM 0 H SER A 3 -33.115 24.550 2.581 1.00 0.00 H new ATOM 0 HA SER A 3 -34.459 22.333 1.164 1.00 0.00 H new ATOM 0 HB2 SER A 3 -34.157 24.960 0.429 1.00 0.00 H new ATOM 0 HB3 SER A 3 -32.754 24.235 -0.331 1.00 0.00 H new ATOM 0 HG SER A 3 -34.626 24.173 -1.703 1.00 0.00 H new ATOM 37 N ILE A 4 -31.786 21.894 2.293 1.00 0.00 N ATOM 38 CA ILE A 4 -30.539 21.150 2.352 1.00 0.00 C ATOM 39 C ILE A 4 -30.651 20.061 3.420 1.00 0.00 C ATOM 40 O ILE A 4 -30.348 18.898 3.160 1.00 0.00 O ATOM 41 CB ILE A 4 -29.358 22.100 2.562 1.00 0.00 C ATOM 42 CG1 ILE A 4 -29.106 22.946 1.313 1.00 0.00 C ATOM 43 CG2 ILE A 4 -28.108 21.332 2.996 1.00 0.00 C ATOM 44 CD1 ILE A 4 -29.769 24.319 1.437 1.00 0.00 C ATOM 0 H ILE A 4 -32.201 22.104 3.201 1.00 0.00 H new ATOM 0 HA ILE A 4 -30.349 20.648 1.403 1.00 0.00 H new ATOM 0 HB ILE A 4 -29.611 22.787 3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -28.033 23.069 1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -29.494 22.429 0.435 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -27.283 22.030 3.138 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -28.308 20.811 3.932 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -27.841 20.607 2.227 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -29.574 24.900 0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -30.844 24.194 1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -29.361 24.843 2.302 1.00 0.00 H new ATOM 56 N VAL A 5 -31.086 20.477 4.601 1.00 0.00 N ATOM 57 CA VAL A 5 -31.241 19.552 5.710 1.00 0.00 C ATOM 58 C VAL A 5 -32.101 18.367 5.264 1.00 0.00 C ATOM 59 O VAL A 5 -31.659 17.220 5.316 1.00 0.00 O ATOM 60 CB VAL A 5 -31.815 20.283 6.925 1.00 0.00 C ATOM 61 CG1 VAL A 5 -32.227 19.293 8.017 1.00 0.00 C ATOM 62 CG2 VAL A 5 -30.821 21.312 7.466 1.00 0.00 C ATOM 0 H VAL A 5 -31.336 21.443 4.813 1.00 0.00 H new ATOM 0 HA VAL A 5 -30.273 19.155 6.014 1.00 0.00 H new ATOM 0 HB VAL A 5 -32.709 20.817 6.602 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -32.632 19.839 8.869 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -32.986 18.616 7.626 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -31.357 18.718 8.334 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -31.254 21.817 8.329 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -29.902 20.808 7.764 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -30.598 22.045 6.691 1.00 0.00 H new ATOM 72 N HIS A 6 -33.313 18.686 4.835 1.00 0.00 N ATOM 73 CA HIS A 6 -34.239 17.662 4.380 1.00 0.00 C ATOM 74 C HIS A 6 -33.495 16.650 3.505 1.00 0.00 C ATOM 75 O HIS A 6 -33.651 15.443 3.677 1.00 0.00 O ATOM 76 CB HIS A 6 -35.439 18.292 3.669 1.00 0.00 C ATOM 77 CG HIS A 6 -36.738 17.553 3.887 1.00 0.00 C ATOM 78 ND1 HIS A 6 -37.372 17.498 5.116 1.00 0.00 N ATOM 79 CD2 HIS A 6 -37.515 16.842 3.021 1.00 0.00 C ATOM 80 CE1 HIS A 6 -38.479 16.783 4.984 1.00 0.00 C ATOM 81 NE2 HIS A 6 -38.566 16.376 3.685 1.00 0.00 N ATOM 0 H HIS A 6 -33.676 19.638 4.793 1.00 0.00 H new ATOM 0 HA HIS A 6 -34.641 17.122 5.238 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -35.555 19.319 4.014 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -35.233 18.336 2.600 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -37.310 16.685 1.972 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -39.188 16.561 5.767 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -39.315 15.808 3.289 1.00 0.00 H new ATOM 90 N LEU A 7 -32.704 17.181 2.584 1.00 0.00 N ATOM 91 CA LEU A 7 -31.936 16.340 1.682 1.00 0.00 C ATOM 92 C LEU A 7 -31.037 15.410 2.499 1.00 0.00 C ATOM 93 O LEU A 7 -31.234 14.196 2.503 1.00 0.00 O ATOM 94 CB LEU A 7 -31.175 17.197 0.668 1.00 0.00 C ATOM 95 CG LEU A 7 -31.142 16.667 -0.767 1.00 0.00 C ATOM 96 CD1 LEU A 7 -30.931 17.806 -1.767 1.00 0.00 C ATOM 97 CD2 LEU A 7 -30.090 15.567 -0.921 1.00 0.00 C ATOM 0 H LEU A 7 -32.579 18.183 2.443 1.00 0.00 H new ATOM 0 HA LEU A 7 -32.600 15.706 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -31.620 18.192 0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -30.148 17.311 1.016 1.00 0.00 H new ATOM 0 HG LEU A 7 -32.111 16.219 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -30.911 17.402 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -31.746 18.524 -1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -29.985 18.304 -1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -30.087 15.208 -1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -29.107 15.967 -0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -30.326 14.742 -0.249 1.00 0.00 H new ATOM 109 N CYS A 8 -30.070 16.016 3.172 1.00 0.00 N ATOM 110 CA CYS A 8 -29.140 15.257 3.991 1.00 0.00 C ATOM 111 C CYS A 8 -29.948 14.348 4.919 1.00 0.00 C ATOM 112 O CYS A 8 -29.453 13.316 5.369 1.00 0.00 O ATOM 113 CB CYS A 8 -28.195 16.173 4.771 1.00 0.00 C ATOM 114 SG CYS A 8 -26.623 16.375 3.857 1.00 0.00 S ATOM 0 H CYS A 8 -29.910 17.023 3.167 1.00 0.00 H new ATOM 0 HA CYS A 8 -28.503 14.647 3.351 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -28.663 17.145 4.925 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -28.000 15.753 5.758 1.00 0.00 H new ATOM 0 HG CYS A 8 -25.829 17.156 4.527 1.00 0.00 H new ATOM 120 N ALA A 9 -31.179 14.764 5.178 1.00 0.00 N ATOM 121 CA ALA A 9 -32.061 14.000 6.044 1.00 0.00 C ATOM 122 C ALA A 9 -32.387 12.661 5.380 1.00 0.00 C ATOM 123 O ALA A 9 -32.489 11.638 6.055 1.00 0.00 O ATOM 124 CB ALA A 9 -33.316 14.821 6.346 1.00 0.00 C ATOM 0 H ALA A 9 -31.587 15.621 4.803 1.00 0.00 H new ATOM 0 HA ALA A 9 -31.574 13.786 6.995 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -33.978 14.248 6.996 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -33.033 15.749 6.843 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -33.833 15.052 5.414 1.00 0.00 H new ATOM 130 N ILE A 10 -32.540 12.711 4.064 1.00 0.00 N ATOM 131 CA ILE A 10 -32.851 11.514 3.302 1.00 0.00 C ATOM 132 C ILE A 10 -31.575 10.694 3.104 1.00 0.00 C ATOM 133 O ILE A 10 -31.552 9.497 3.387 1.00 0.00 O ATOM 134 CB ILE A 10 -33.556 11.880 1.994 1.00 0.00 C ATOM 135 CG1 ILE A 10 -34.863 12.628 2.266 1.00 0.00 C ATOM 136 CG2 ILE A 10 -33.775 10.641 1.123 1.00 0.00 C ATOM 137 CD1 ILE A 10 -35.331 13.384 1.020 1.00 0.00 C ATOM 0 H ILE A 10 -32.454 13.561 3.507 1.00 0.00 H new ATOM 0 HA ILE A 10 -33.552 10.885 3.850 1.00 0.00 H new ATOM 0 HB ILE A 10 -32.909 12.556 1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -35.632 11.922 2.578 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -34.721 13.328 3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -34.278 10.929 0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -32.812 10.188 0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -34.391 9.922 1.662 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -36.262 13.907 1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -34.570 14.106 0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -35.495 12.678 0.206 1.00 0.00 H new ATOM 149 N SER A 11 -30.544 11.370 2.620 1.00 0.00 N ATOM 150 CA SER A 11 -29.267 10.719 2.381 1.00 0.00 C ATOM 151 C SER A 11 -28.536 10.499 3.707 1.00 0.00 C ATOM 152 O SER A 11 -27.471 11.070 3.935 1.00 0.00 O ATOM 153 CB SER A 11 -28.399 11.542 1.427 1.00 0.00 C ATOM 154 OG SER A 11 -27.202 10.857 1.069 1.00 0.00 O ATOM 0 H SER A 11 -30.567 12.363 2.387 1.00 0.00 H new ATOM 0 HA SER A 11 -29.458 9.753 1.913 1.00 0.00 H new ATOM 0 HB2 SER A 11 -28.968 11.772 0.526 1.00 0.00 H new ATOM 0 HB3 SER A 11 -28.146 12.493 1.896 1.00 0.00 H new ATOM 0 HG SER A 11 -26.676 11.415 0.458 1.00 0.00 H new ATOM 160 N LEU A 12 -29.137 9.669 4.547 1.00 0.00 N ATOM 161 CA LEU A 12 -28.556 9.366 5.844 1.00 0.00 C ATOM 162 C LEU A 12 -29.223 8.113 6.416 1.00 0.00 C ATOM 163 O LEU A 12 -28.543 7.150 6.767 1.00 0.00 O ATOM 164 CB LEU A 12 -28.642 10.583 6.766 1.00 0.00 C ATOM 165 CG LEU A 12 -27.318 11.288 7.070 1.00 0.00 C ATOM 166 CD1 LEU A 12 -27.542 12.520 7.949 1.00 0.00 C ATOM 167 CD2 LEU A 12 -26.310 10.318 7.690 1.00 0.00 C ATOM 0 H LEU A 12 -30.020 9.197 4.355 1.00 0.00 H new ATOM 0 HA LEU A 12 -27.493 9.145 5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -29.322 11.307 6.317 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -29.089 10.269 7.709 1.00 0.00 H new ATOM 0 HG LEU A 12 -26.893 11.637 6.129 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -26.585 13.002 8.150 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -28.200 13.220 7.434 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -28.000 12.217 8.890 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -25.378 10.844 7.896 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -26.714 9.918 8.620 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -26.119 9.499 6.996 1.00 0.00 H new ATOM 179 N ASP A 13 -30.544 8.166 6.491 1.00 0.00 N ATOM 180 CA ASP A 13 -31.310 7.047 7.015 1.00 0.00 C ATOM 181 C ASP A 13 -31.352 5.931 5.970 1.00 0.00 C ATOM 182 O ASP A 13 -31.255 4.753 6.311 1.00 0.00 O ATOM 183 CB ASP A 13 -32.750 7.462 7.322 1.00 0.00 C ATOM 184 CG ASP A 13 -33.307 6.931 8.644 1.00 0.00 C ATOM 185 OD1 ASP A 13 -33.475 5.696 8.735 1.00 0.00 O ATOM 186 OD2 ASP A 13 -33.553 7.773 9.535 1.00 0.00 O ATOM 0 H ASP A 13 -31.104 8.966 6.198 1.00 0.00 H new ATOM 0 HA ASP A 13 -30.829 6.708 7.933 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -32.804 8.551 7.333 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -33.392 7.119 6.511 1.00 0.00 H new ATOM 191 N ARG A 14 -31.496 6.340 4.718 1.00 0.00 N ATOM 192 CA ARG A 14 -31.552 5.388 3.621 1.00 0.00 C ATOM 193 C ARG A 14 -30.417 4.370 3.744 1.00 0.00 C ATOM 194 O ARG A 14 -30.551 3.230 3.301 1.00 0.00 O ATOM 195 CB ARG A 14 -31.447 6.098 2.270 1.00 0.00 C ATOM 196 CG ARG A 14 -32.001 5.221 1.145 1.00 0.00 C ATOM 197 CD ARG A 14 -30.880 4.745 0.219 1.00 0.00 C ATOM 198 NE ARG A 14 -31.436 3.877 -0.843 1.00 0.00 N ATOM 199 CZ ARG A 14 -30.815 3.617 -2.002 1.00 0.00 C ATOM 200 NH1 ARG A 14 -29.614 4.156 -2.254 1.00 0.00 N ATOM 201 NH2 ARG A 14 -31.394 2.817 -2.907 1.00 0.00 N ATOM 0 H ARG A 14 -31.576 7.318 4.439 1.00 0.00 H new ATOM 0 HA ARG A 14 -32.512 4.875 3.675 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -31.996 7.039 2.306 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -30.405 6.344 2.065 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -32.516 4.360 1.570 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -32.738 5.782 0.571 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -30.377 5.603 -0.227 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -30.131 4.198 0.792 1.00 0.00 H new ATOM 0 HE ARG A 14 -32.348 3.450 -0.683 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -29.173 4.764 -1.564 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -29.141 3.958 -3.136 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -32.307 2.406 -2.714 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -30.922 2.619 -3.789 1.00 0.00 H new ATOM 215 N TYR A 15 -29.326 4.817 4.347 1.00 0.00 N ATOM 216 CA TYR A 15 -28.168 3.959 4.533 1.00 0.00 C ATOM 217 C TYR A 15 -28.372 3.015 5.720 1.00 0.00 C ATOM 218 O TYR A 15 -27.863 1.894 5.720 1.00 0.00 O ATOM 219 CB TYR A 15 -26.995 4.893 4.836 1.00 0.00 C ATOM 220 CG TYR A 15 -26.547 5.736 3.640 1.00 0.00 C ATOM 221 CD1 TYR A 15 -25.617 5.234 2.752 1.00 0.00 C ATOM 222 CD2 TYR A 15 -27.072 6.998 3.449 1.00 0.00 C ATOM 223 CE1 TYR A 15 -25.195 6.027 1.627 1.00 0.00 C ATOM 224 CE2 TYR A 15 -26.650 7.791 2.324 1.00 0.00 C ATOM 225 CZ TYR A 15 -25.732 7.266 1.468 1.00 0.00 C ATOM 226 OH TYR A 15 -25.333 8.016 0.405 1.00 0.00 O ATOM 0 H TYR A 15 -29.219 5.763 4.713 1.00 0.00 H new ATOM 0 HA TYR A 15 -27.997 3.347 3.647 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -27.275 5.559 5.652 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -26.151 4.298 5.185 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -25.206 4.246 2.901 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -27.800 7.391 4.144 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -24.468 5.646 0.925 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -27.053 8.780 2.163 1.00 0.00 H new ATOM 0 HH TYR A 15 -25.801 8.877 0.418 1.00 0.00 H new ATOM 236 N TRP A 16 -29.116 3.501 6.702 1.00 0.00 N ATOM 237 CA TRP A 16 -29.392 2.715 7.892 1.00 0.00 C ATOM 238 C TRP A 16 -29.750 1.295 7.448 1.00 0.00 C ATOM 239 O TRP A 16 -29.013 0.350 7.723 1.00 0.00 O ATOM 240 CB TRP A 16 -30.484 3.369 8.740 1.00 0.00 C ATOM 241 CG TRP A 16 -30.870 2.567 9.985 1.00 0.00 C ATOM 242 CD1 TRP A 16 -32.088 2.145 10.350 1.00 0.00 C ATOM 243 CD2 TRP A 16 -29.977 2.106 11.021 1.00 0.00 C ATOM 244 NE1 TRP A 16 -32.046 1.448 11.541 1.00 0.00 N ATOM 245 CE2 TRP A 16 -30.721 1.424 11.962 1.00 0.00 C ATOM 246 CE3 TRP A 16 -28.586 2.261 11.159 1.00 0.00 C ATOM 247 CZ2 TRP A 16 -30.163 0.842 13.106 1.00 0.00 C ATOM 248 CZ3 TRP A 16 -28.043 1.673 12.308 1.00 0.00 C ATOM 249 CH2 TRP A 16 -28.779 0.983 13.264 1.00 0.00 C ATOM 0 H TRP A 16 -29.537 4.430 6.698 1.00 0.00 H new ATOM 0 HA TRP A 16 -28.513 2.668 8.535 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -30.146 4.359 9.048 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -31.371 3.513 8.123 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -32.989 2.327 9.784 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -32.841 1.028 12.023 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -27.984 2.792 10.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -30.767 0.313 13.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -26.978 1.762 12.462 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -28.285 0.557 14.125 1.00 0.00 H new ATOM 260 N SER A 17 -30.882 1.190 6.767 1.00 0.00 N ATOM 261 CA SER A 17 -31.347 -0.098 6.282 1.00 0.00 C ATOM 262 C SER A 17 -30.215 -0.821 5.549 1.00 0.00 C ATOM 263 O SER A 17 -29.847 -1.936 5.915 1.00 0.00 O ATOM 264 CB SER A 17 -32.557 0.065 5.360 1.00 0.00 C ATOM 265 OG SER A 17 -33.781 0.106 6.088 1.00 0.00 O ATOM 0 H SER A 17 -31.491 1.976 6.540 1.00 0.00 H new ATOM 0 HA SER A 17 -31.656 -0.695 7.140 1.00 0.00 H new ATOM 0 HB2 SER A 17 -32.450 0.981 4.779 1.00 0.00 H new ATOM 0 HB3 SER A 17 -32.585 -0.761 4.649 1.00 0.00 H new ATOM 0 HG SER A 17 -34.529 0.213 5.464 1.00 0.00 H new ATOM 271 N ILE A 18 -29.695 -0.156 4.528 1.00 0.00 N ATOM 272 CA ILE A 18 -28.612 -0.721 3.741 1.00 0.00 C ATOM 273 C ILE A 18 -27.598 -1.382 4.676 1.00 0.00 C ATOM 274 O ILE A 18 -27.349 -2.583 4.579 1.00 0.00 O ATOM 275 CB ILE A 18 -28.002 0.344 2.826 1.00 0.00 C ATOM 276 CG1 ILE A 18 -29.015 0.815 1.781 1.00 0.00 C ATOM 277 CG2 ILE A 18 -26.709 -0.161 2.184 1.00 0.00 C ATOM 278 CD1 ILE A 18 -29.613 -0.372 1.023 1.00 0.00 C ATOM 0 H ILE A 18 -30.003 0.769 4.228 1.00 0.00 H new ATOM 0 HA ILE A 18 -28.989 -1.500 3.078 1.00 0.00 H new ATOM 0 HB ILE A 18 -27.742 1.210 3.435 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -29.811 1.378 2.269 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -28.530 1.493 1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -26.296 0.615 1.539 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -25.988 -0.407 2.963 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -26.920 -1.051 1.592 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -30.330 -0.009 0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -28.817 -0.919 0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -30.118 -1.035 1.725 1.00 0.00 H new ATOM 290 N THR A 19 -27.041 -0.570 5.562 1.00 0.00 N ATOM 291 CA THR A 19 -26.059 -1.061 6.514 1.00 0.00 C ATOM 292 C THR A 19 -26.501 -2.409 7.087 1.00 0.00 C ATOM 293 O THR A 19 -25.782 -3.401 6.974 1.00 0.00 O ATOM 294 CB THR A 19 -25.857 0.016 7.582 1.00 0.00 C ATOM 295 OG1 THR A 19 -25.019 0.980 6.949 1.00 0.00 O ATOM 296 CG2 THR A 19 -25.023 -0.482 8.765 1.00 0.00 C ATOM 0 H THR A 19 -27.251 0.425 5.641 1.00 0.00 H new ATOM 0 HA THR A 19 -25.099 -1.246 6.033 1.00 0.00 H new ATOM 0 HB THR A 19 -26.828 0.358 7.940 1.00 0.00 H new ATOM 0 HG1 THR A 19 -24.839 1.716 7.571 1.00 0.00 H new ATOM 0 HG21 THR A 19 -24.910 0.321 9.494 1.00 0.00 H new ATOM 0 HG22 THR A 19 -25.525 -1.329 9.233 1.00 0.00 H new ATOM 0 HG23 THR A 19 -24.040 -0.793 8.412 1.00 0.00 H new ATOM 304 N GLN A 20 -27.681 -2.402 7.690 1.00 0.00 N ATOM 305 CA GLN A 20 -28.226 -3.612 8.281 1.00 0.00 C ATOM 306 C GLN A 20 -28.126 -4.777 7.293 1.00 0.00 C ATOM 307 O GLN A 20 -27.531 -5.808 7.603 1.00 0.00 O ATOM 308 CB GLN A 20 -29.673 -3.398 8.731 1.00 0.00 C ATOM 309 CG GLN A 20 -29.885 -3.916 10.155 1.00 0.00 C ATOM 310 CD GLN A 20 -31.219 -3.426 10.723 1.00 0.00 C ATOM 311 OE1 GLN A 20 -31.289 -2.464 11.471 1.00 0.00 O ATOM 312 NE2 GLN A 20 -32.270 -4.139 10.327 1.00 0.00 N ATOM 0 H GLN A 20 -28.275 -1.578 7.782 1.00 0.00 H new ATOM 0 HA GLN A 20 -27.637 -3.859 9.165 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -29.919 -2.337 8.685 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -30.350 -3.912 8.048 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -29.863 -5.006 10.157 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -29.068 -3.580 10.794 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -32.141 -4.933 9.700 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -33.205 -3.892 10.651 1.00 0.00 H new ATOM 321 N ALA A 21 -28.717 -4.573 6.125 1.00 0.00 N ATOM 322 CA ALA A 21 -28.702 -5.593 5.091 1.00 0.00 C ATOM 323 C ALA A 21 -27.739 -5.171 3.979 1.00 0.00 C ATOM 324 O ALA A 21 -28.155 -4.955 2.842 1.00 0.00 O ATOM 325 CB ALA A 21 -30.124 -5.819 4.575 1.00 0.00 C ATOM 0 H ALA A 21 -29.209 -3.716 5.872 1.00 0.00 H new ATOM 0 HA ALA A 21 -28.347 -6.542 5.493 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -30.112 -6.584 3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -30.762 -6.145 5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -30.513 -4.889 4.161 1.00 0.00 H new ATOM 331 N ILE A 22 -26.470 -5.067 4.346 1.00 0.00 N ATOM 332 CA ILE A 22 -25.445 -4.675 3.394 1.00 0.00 C ATOM 333 C ILE A 22 -25.120 -5.861 2.484 1.00 0.00 C ATOM 334 O ILE A 22 -24.939 -5.692 1.279 1.00 0.00 O ATOM 335 CB ILE A 22 -24.226 -4.106 4.123 1.00 0.00 C ATOM 336 CG1 ILE A 22 -23.616 -2.939 3.343 1.00 0.00 C ATOM 337 CG2 ILE A 22 -23.199 -5.203 4.410 1.00 0.00 C ATOM 338 CD1 ILE A 22 -22.872 -1.984 4.279 1.00 0.00 C ATOM 0 H ILE A 22 -26.128 -5.248 5.290 1.00 0.00 H new ATOM 0 HA ILE A 22 -25.807 -3.871 2.753 1.00 0.00 H new ATOM 0 HB ILE A 22 -24.555 -3.713 5.085 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -22.930 -3.321 2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -24.402 -2.399 2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -22.342 -4.773 4.929 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -23.653 -5.972 5.035 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -22.869 -5.647 3.471 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -22.448 -1.164 3.700 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -23.566 -1.585 5.019 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -22.071 -2.522 4.786 1.00 0.00 H new ATOM 350 N GLU A 23 -25.055 -7.034 3.096 1.00 0.00 N ATOM 351 CA GLU A 23 -24.755 -8.248 2.356 1.00 0.00 C ATOM 352 C GLU A 23 -25.765 -8.443 1.223 1.00 0.00 C ATOM 353 O GLU A 23 -25.470 -9.108 0.231 1.00 0.00 O ATOM 354 CB GLU A 23 -24.730 -9.464 3.284 1.00 0.00 C ATOM 355 CG GLU A 23 -23.330 -10.078 3.348 1.00 0.00 C ATOM 356 CD GLU A 23 -23.401 -11.574 3.660 1.00 0.00 C ATOM 357 OE1 GLU A 23 -24.248 -11.938 4.504 1.00 0.00 O ATOM 358 OE2 GLU A 23 -22.606 -12.320 3.048 1.00 0.00 O ATOM 0 H GLU A 23 -25.205 -7.170 4.096 1.00 0.00 H new ATOM 0 HA GLU A 23 -23.762 -8.147 1.918 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -25.047 -9.169 4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -25.442 -10.210 2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -22.818 -9.925 2.398 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -22.741 -9.571 4.113 1.00 0.00 H new ATOM 365 N TYR A 24 -26.936 -7.852 1.409 1.00 0.00 N ATOM 366 CA TYR A 24 -27.991 -7.952 0.415 1.00 0.00 C ATOM 367 C TYR A 24 -27.509 -7.453 -0.948 1.00 0.00 C ATOM 368 O TYR A 24 -27.865 -8.017 -1.982 1.00 0.00 O ATOM 369 CB TYR A 24 -29.121 -7.045 0.907 1.00 0.00 C ATOM 370 CG TYR A 24 -30.353 -7.039 0.000 1.00 0.00 C ATOM 371 CD1 TYR A 24 -31.173 -8.148 -0.057 1.00 0.00 C ATOM 372 CD2 TYR A 24 -30.645 -5.925 -0.760 1.00 0.00 C ATOM 373 CE1 TYR A 24 -32.333 -8.142 -0.911 1.00 0.00 C ATOM 374 CE2 TYR A 24 -31.805 -5.919 -1.614 1.00 0.00 C ATOM 375 CZ TYR A 24 -32.591 -7.028 -1.647 1.00 0.00 C ATOM 376 OH TYR A 24 -33.687 -7.023 -2.453 1.00 0.00 O ATOM 0 H TYR A 24 -27.178 -7.302 2.233 1.00 0.00 H new ATOM 0 HA TYR A 24 -28.309 -8.988 0.295 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -29.419 -7.363 1.906 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -28.743 -6.027 0.996 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -30.945 -9.020 0.538 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -30.004 -5.057 -0.715 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -32.983 -9.003 -0.966 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -32.045 -5.054 -2.214 1.00 0.00 H new ATOM 0 HH TYR A 24 -33.747 -6.162 -2.918 1.00 0.00 H new ATOM 386 N ASN A 25 -26.706 -6.399 -0.908 1.00 0.00 N ATOM 387 CA ASN A 25 -26.172 -5.818 -2.127 1.00 0.00 C ATOM 388 C ASN A 25 -24.724 -5.384 -1.888 1.00 0.00 C ATOM 389 O ASN A 25 -24.459 -4.213 -1.621 1.00 0.00 O ATOM 390 CB ASN A 25 -26.972 -4.583 -2.545 1.00 0.00 C ATOM 391 CG ASN A 25 -27.818 -4.873 -3.787 1.00 0.00 C ATOM 392 OD1 ASN A 25 -27.331 -4.923 -4.904 1.00 0.00 O ATOM 393 ND2 ASN A 25 -29.110 -5.060 -3.530 1.00 0.00 N ATOM 0 H ASN A 25 -26.413 -5.933 -0.050 1.00 0.00 H new ATOM 0 HA ASN A 25 -26.232 -6.570 -2.914 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -27.618 -4.269 -1.725 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -26.292 -3.756 -2.749 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -29.758 -5.259 -4.292 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -29.452 -5.004 -2.571 1.00 0.00 H new ATOM 400 N LEU A 26 -23.825 -6.351 -1.994 1.00 0.00 N ATOM 401 CA LEU A 26 -22.411 -6.084 -1.793 1.00 0.00 C ATOM 402 C LEU A 26 -21.640 -6.465 -3.058 1.00 0.00 C ATOM 403 O LEU A 26 -21.081 -5.601 -3.733 1.00 0.00 O ATOM 404 CB LEU A 26 -21.907 -6.787 -0.531 1.00 0.00 C ATOM 405 CG LEU A 26 -20.400 -7.042 -0.461 1.00 0.00 C ATOM 406 CD1 LEU A 26 -19.624 -5.725 -0.392 1.00 0.00 C ATOM 407 CD2 LEU A 26 -20.055 -7.973 0.702 1.00 0.00 C ATOM 0 H LEU A 26 -24.048 -7.321 -2.217 1.00 0.00 H new ATOM 0 HA LEU A 26 -22.244 -5.020 -1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -22.195 -6.189 0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -22.422 -7.744 -0.442 1.00 0.00 H new ATOM 0 HG LEU A 26 -20.096 -7.547 -1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.555 -5.934 -0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -19.837 -5.130 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.926 -5.171 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -18.978 -8.138 0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -20.376 -7.519 1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -20.565 -8.927 0.568 1.00 0.00 H new ATOM 419 N LYS A 27 -21.633 -7.759 -3.342 1.00 0.00 N ATOM 420 CA LYS A 27 -20.939 -8.265 -4.514 1.00 0.00 C ATOM 421 C LYS A 27 -21.957 -8.872 -5.481 1.00 0.00 C ATOM 422 O LYS A 27 -22.063 -10.093 -5.590 1.00 0.00 O ATOM 423 CB LYS A 27 -19.827 -9.233 -4.103 1.00 0.00 C ATOM 424 CG LYS A 27 -18.447 -8.631 -4.377 1.00 0.00 C ATOM 425 CD LYS A 27 -17.874 -9.152 -5.696 1.00 0.00 C ATOM 426 CE LYS A 27 -17.002 -10.387 -5.465 1.00 0.00 C ATOM 427 NZ LYS A 27 -16.497 -10.913 -6.753 1.00 0.00 N ATOM 0 H LYS A 27 -22.097 -8.473 -2.780 1.00 0.00 H new ATOM 0 HA LYS A 27 -20.442 -7.452 -5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -19.920 -9.471 -3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -19.934 -10.169 -4.650 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -18.521 -7.544 -4.413 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -17.770 -8.878 -3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -18.688 -9.399 -6.378 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -17.284 -8.370 -6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.164 -10.132 -4.816 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -17.579 -11.156 -4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.907 -11.751 -6.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -17.300 -11.175 -7.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.929 -10.182 -7.227 1.00 0.00 H new ATOM 441 N ARG A 28 -22.680 -7.993 -6.159 1.00 0.00 N ATOM 442 CA ARG A 28 -23.685 -8.427 -7.113 1.00 0.00 C ATOM 443 C ARG A 28 -23.710 -7.490 -8.322 1.00 0.00 C ATOM 444 O ARG A 28 -24.053 -6.316 -8.196 1.00 0.00 O ATOM 445 CB ARG A 28 -25.075 -8.459 -6.473 1.00 0.00 C ATOM 446 CG ARG A 28 -26.056 -9.259 -7.332 1.00 0.00 C ATOM 447 CD ARG A 28 -27.124 -8.347 -7.940 1.00 0.00 C ATOM 448 NE ARG A 28 -28.455 -8.983 -7.829 1.00 0.00 N ATOM 449 CZ ARG A 28 -29.500 -8.679 -8.611 1.00 0.00 C ATOM 450 NH1 ARG A 28 -29.374 -7.746 -9.564 1.00 0.00 N ATOM 451 NH2 ARG A 28 -30.671 -9.307 -8.439 1.00 0.00 N ATOM 0 H ARG A 28 -22.589 -6.981 -6.066 1.00 0.00 H new ATOM 0 HA ARG A 28 -23.422 -9.435 -7.435 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -25.011 -8.902 -5.479 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -25.444 -7.441 -6.345 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -25.514 -9.771 -8.127 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -26.533 -10.028 -6.725 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -27.127 -7.385 -7.427 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -26.892 -8.149 -8.987 1.00 0.00 H new ATOM 0 HE ARG A 28 -28.585 -9.697 -7.113 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -28.483 -7.267 -9.694 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -30.169 -7.514 -10.159 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -30.767 -10.017 -7.713 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -31.466 -9.075 -9.034 1.00 0.00 H new ATOM 465 N THR A 29 -23.341 -8.045 -9.468 1.00 0.00 N ATOM 466 CA THR A 29 -23.316 -7.273 -10.699 1.00 0.00 C ATOM 467 C THR A 29 -23.775 -8.134 -11.877 1.00 0.00 C ATOM 468 O THR A 29 -23.720 -9.361 -11.813 1.00 0.00 O ATOM 469 CB THR A 29 -21.905 -6.707 -10.874 1.00 0.00 C ATOM 470 OG1 THR A 29 -21.064 -7.857 -10.848 1.00 0.00 O ATOM 471 CG2 THR A 29 -21.450 -5.886 -9.666 1.00 0.00 C ATOM 0 H THR A 29 -23.057 -9.019 -9.570 1.00 0.00 H new ATOM 0 HA THR A 29 -24.014 -6.437 -10.656 1.00 0.00 H new ATOM 0 HB THR A 29 -21.872 -6.086 -11.769 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.130 -7.582 -10.957 1.00 0.00 H new ATOM 0 HG21 THR A 29 -20.443 -5.508 -9.842 1.00 0.00 H new ATOM 0 HG22 THR A 29 -22.132 -5.048 -9.518 1.00 0.00 H new ATOM 0 HG23 THR A 29 -21.451 -6.516 -8.777 1.00 0.00 H new ATOM 479 N PRO A 30 -24.230 -7.439 -12.954 1.00 0.00 N ATOM 480 CA PRO A 30 -24.699 -8.126 -14.145 1.00 0.00 C ATOM 481 C PRO A 30 -23.525 -8.682 -14.955 1.00 0.00 C ATOM 482 O PRO A 30 -22.366 -8.462 -14.607 1.00 0.00 O ATOM 483 CB PRO A 30 -25.507 -7.088 -14.906 1.00 0.00 C ATOM 484 CG PRO A 30 -25.078 -5.739 -14.354 1.00 0.00 C ATOM 485 CD PRO A 30 -24.309 -5.985 -13.066 1.00 0.00 C ATOM 0 HA PRO A 30 -25.312 -8.997 -13.914 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -25.314 -7.151 -15.977 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -26.576 -7.245 -14.765 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -24.454 -5.212 -15.076 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -25.948 -5.110 -14.165 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -23.316 -5.536 -13.105 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -24.822 -5.549 -12.209 1.00 0.00 H new ATOM 493 N ARG A 31 -23.867 -9.391 -16.021 1.00 0.00 N ATOM 494 CA ARG A 31 -22.856 -9.979 -16.884 1.00 0.00 C ATOM 495 C ARG A 31 -22.977 -9.418 -18.302 1.00 0.00 C ATOM 496 O ARG A 31 -23.985 -9.631 -18.974 1.00 0.00 O ATOM 497 CB ARG A 31 -22.993 -11.502 -16.932 1.00 0.00 C ATOM 498 CG ARG A 31 -22.218 -12.159 -15.788 1.00 0.00 C ATOM 499 CD ARG A 31 -21.678 -13.528 -16.206 1.00 0.00 C ATOM 500 NE ARG A 31 -22.626 -14.590 -15.802 1.00 0.00 N ATOM 501 CZ ARG A 31 -22.722 -15.079 -14.558 1.00 0.00 C ATOM 502 NH1 ARG A 31 -21.928 -14.605 -13.589 1.00 0.00 N ATOM 503 NH2 ARG A 31 -23.612 -16.043 -14.284 1.00 0.00 N ATOM 0 H ARG A 31 -24.829 -9.572 -16.307 1.00 0.00 H new ATOM 0 HA ARG A 31 -21.879 -9.726 -16.472 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -24.046 -11.778 -16.869 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -22.623 -11.874 -17.887 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -21.392 -11.515 -15.487 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -22.868 -12.270 -14.920 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -21.527 -13.555 -17.285 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -20.706 -13.701 -15.744 1.00 0.00 H new ATOM 0 HE ARG A 31 -23.246 -14.974 -16.515 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -21.250 -13.872 -13.798 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -22.001 -14.977 -12.642 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -24.216 -16.404 -15.022 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -23.685 -16.415 -13.337 1.00 0.00 H new ATOM 517 N ARG A 32 -21.935 -8.712 -18.715 1.00 0.00 N ATOM 518 CA ARG A 32 -21.911 -8.118 -20.041 1.00 0.00 C ATOM 519 C ARG A 32 -21.233 -9.064 -21.034 1.00 0.00 C ATOM 520 O ARG A 32 -21.705 -9.233 -22.157 1.00 0.00 O ATOM 521 CB ARG A 32 -21.168 -6.781 -20.033 1.00 0.00 C ATOM 522 CG ARG A 32 -21.184 -6.136 -21.420 1.00 0.00 C ATOM 523 CD ARG A 32 -19.886 -5.372 -21.685 1.00 0.00 C ATOM 524 NE ARG A 32 -18.761 -6.322 -21.836 1.00 0.00 N ATOM 525 CZ ARG A 32 -17.474 -5.998 -21.647 1.00 0.00 C ATOM 526 NH1 ARG A 32 -17.142 -4.748 -21.301 1.00 0.00 N ATOM 527 NH2 ARG A 32 -16.520 -6.926 -21.806 1.00 0.00 N ATOM 0 H ARG A 32 -21.101 -8.538 -18.155 1.00 0.00 H new ATOM 0 HA ARG A 32 -22.943 -7.945 -20.345 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -21.630 -6.109 -19.310 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -20.138 -6.935 -19.712 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -21.319 -6.905 -22.181 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -22.033 -5.456 -21.499 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -19.987 -4.769 -22.587 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -19.685 -4.685 -20.863 1.00 0.00 H new ATOM 0 HE ARG A 32 -18.979 -7.283 -22.100 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -17.868 -4.042 -21.181 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -16.163 -4.502 -21.157 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -16.774 -7.878 -22.071 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.541 -6.680 -21.662 1.00 0.00 H new TER 541 ARG A 32