USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 262 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 2 THR OG1 : rot -33:sc= 0.351 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.735 F(o=-2.8!,f=-0.73) USER MOD Single : A 13 HIS : no HE2:sc= -0.835 K(o=-0.84,f=-3.6!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.543 F(o=-1.4,f=-0.54) USER MOD Single : A 29 TYR OH : rot 30:sc= 0.648 USER MOD Single : A 31 ASN :FLIP amide:sc= -0.41 F(o=-7.5!,f=-0.41) USER MOD Single : A 33 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0803) USER MOD Single : A 40 ASN : amide:sc= -0.0185 X(o=-0.018,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 13 N THR A 2 -5.957 9.562 -3.415 1.00 0.00 N ATOM 14 CA THR A 2 -5.634 8.194 -2.904 1.00 0.00 C ATOM 15 C THR A 2 -4.145 8.154 -2.531 1.00 0.00 C ATOM 16 O THR A 2 -3.500 9.184 -2.499 1.00 0.00 O ATOM 17 CB THR A 2 -5.984 7.179 -4.020 1.00 0.00 C ATOM 18 OG1 THR A 2 -5.287 7.634 -5.174 1.00 0.00 O ATOM 19 CG2 THR A 2 -7.477 7.280 -4.393 1.00 0.00 C ATOM 0 HA THR A 2 -6.208 7.940 -2.013 1.00 0.00 H new ATOM 0 HB THR A 2 -5.739 6.167 -3.697 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.240 8.613 -5.163 1.00 0.00 H new ATOM 0 HG21 THR A 2 -7.705 6.560 -5.179 1.00 0.00 H new ATOM 0 HG22 THR A 2 -8.087 7.065 -3.515 1.00 0.00 H new ATOM 0 HG23 THR A 2 -7.696 8.287 -4.749 1.00 0.00 H new ATOM 27 N CYS A 3 -3.645 6.975 -2.261 1.00 0.00 N ATOM 28 CA CYS A 3 -2.207 6.821 -1.884 1.00 0.00 C ATOM 29 C CYS A 3 -1.449 6.068 -2.981 1.00 0.00 C ATOM 30 O CYS A 3 -1.634 4.881 -3.170 1.00 0.00 O ATOM 31 CB CYS A 3 -2.137 6.056 -0.573 1.00 0.00 C ATOM 32 SG CYS A 3 -0.522 5.841 0.210 1.00 0.00 S ATOM 0 H CYS A 3 -4.176 6.105 -2.286 1.00 0.00 H new ATOM 0 HA CYS A 3 -1.744 7.801 -1.768 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.788 6.560 0.141 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.558 5.065 -0.744 1.00 0.00 H new ATOM 37 N ASP A 4 -0.621 6.804 -3.671 1.00 0.00 N ATOM 38 CA ASP A 4 0.208 6.253 -4.779 1.00 0.00 C ATOM 39 C ASP A 4 1.697 6.494 -4.438 1.00 0.00 C ATOM 40 O ASP A 4 2.152 6.043 -3.403 1.00 0.00 O ATOM 41 CB ASP A 4 -0.249 6.972 -6.086 1.00 0.00 C ATOM 42 CG ASP A 4 -0.099 8.507 -5.984 1.00 0.00 C ATOM 43 OD1 ASP A 4 -0.779 9.087 -5.155 1.00 0.00 O ATOM 44 OD2 ASP A 4 0.701 9.014 -6.751 1.00 0.00 O ATOM 0 H ASP A 4 -0.481 7.801 -3.505 1.00 0.00 H new ATOM 0 HA ASP A 4 0.085 5.179 -4.917 1.00 0.00 H new ATOM 0 HB2 ASP A 4 0.340 6.605 -6.927 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -1.290 6.722 -6.293 1.00 0.00 H new ATOM 49 N LEU A 5 2.402 7.183 -5.300 1.00 0.00 N ATOM 50 CA LEU A 5 3.853 7.488 -5.093 1.00 0.00 C ATOM 51 C LEU A 5 4.060 9.012 -5.034 1.00 0.00 C ATOM 52 O LEU A 5 4.890 9.492 -4.288 1.00 0.00 O ATOM 53 CB LEU A 5 4.662 6.896 -6.259 1.00 0.00 C ATOM 54 CG LEU A 5 4.423 5.362 -6.374 1.00 0.00 C ATOM 55 CD1 LEU A 5 5.219 4.816 -7.570 1.00 0.00 C ATOM 56 CD2 LEU A 5 4.891 4.625 -5.089 1.00 0.00 C ATOM 0 H LEU A 5 2.019 7.559 -6.167 1.00 0.00 H new ATOM 0 HA LEU A 5 4.191 7.049 -4.154 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.376 7.384 -7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.723 7.093 -6.108 1.00 0.00 H new ATOM 0 HG LEU A 5 3.355 5.191 -6.509 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.056 3.742 -7.656 1.00 0.00 H new ATOM 0 HD12 LEU A 5 4.886 5.308 -8.484 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.281 5.011 -7.420 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.712 3.555 -5.197 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.956 4.801 -4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.334 5.001 -4.231 1.00 0.00 H new ATOM 68 N LEU A 6 3.299 9.711 -5.846 1.00 0.00 N ATOM 69 CA LEU A 6 3.328 11.210 -5.954 1.00 0.00 C ATOM 70 C LEU A 6 4.601 11.650 -6.688 1.00 0.00 C ATOM 71 O LEU A 6 4.531 12.135 -7.801 1.00 0.00 O ATOM 72 CB LEU A 6 3.276 11.850 -4.529 1.00 0.00 C ATOM 73 CG LEU A 6 2.064 11.289 -3.721 1.00 0.00 C ATOM 74 CD1 LEU A 6 2.198 11.730 -2.255 1.00 0.00 C ATOM 75 CD2 LEU A 6 0.743 11.869 -4.286 1.00 0.00 C ATOM 0 H LEU A 6 2.621 9.277 -6.473 1.00 0.00 H new ATOM 0 HA LEU A 6 2.459 11.547 -6.519 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.204 11.641 -3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.194 12.934 -4.613 1.00 0.00 H new ATOM 0 HG LEU A 6 2.052 10.202 -3.797 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.356 11.344 -1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.129 11.341 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.204 12.819 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.100 11.474 -3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.758 12.956 -4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.640 11.586 -5.333 1.00 0.00 H new ATOM 87 N SER A 7 5.722 11.466 -6.042 1.00 0.00 N ATOM 88 CA SER A 7 7.037 11.844 -6.632 1.00 0.00 C ATOM 89 C SER A 7 7.956 10.625 -6.515 1.00 0.00 C ATOM 90 O SER A 7 7.912 9.942 -5.511 1.00 0.00 O ATOM 91 CB SER A 7 7.615 13.031 -5.850 1.00 0.00 C ATOM 92 OG SER A 7 6.649 14.061 -6.022 1.00 0.00 O ATOM 0 H SER A 7 5.781 11.060 -5.108 1.00 0.00 H new ATOM 0 HA SER A 7 6.937 12.138 -7.677 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.753 12.786 -4.797 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.589 13.329 -6.239 1.00 0.00 H new ATOM 0 HG SER A 7 6.942 14.867 -5.547 1.00 0.00 H new ATOM 98 N GLY A 8 8.740 10.402 -7.544 1.00 0.00 N ATOM 99 CA GLY A 8 9.715 9.258 -7.614 1.00 0.00 C ATOM 100 C GLY A 8 10.121 8.667 -6.255 1.00 0.00 C ATOM 101 O GLY A 8 9.915 7.497 -5.996 1.00 0.00 O ATOM 0 H GLY A 8 8.745 10.992 -8.376 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.279 8.465 -8.222 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.614 9.597 -8.129 1.00 0.00 H new ATOM 105 N THR A 9 10.685 9.521 -5.439 1.00 0.00 N ATOM 106 CA THR A 9 11.148 9.126 -4.075 1.00 0.00 C ATOM 107 C THR A 9 10.430 9.932 -2.971 1.00 0.00 C ATOM 108 O THR A 9 11.052 10.550 -2.128 1.00 0.00 O ATOM 109 CB THR A 9 12.679 9.350 -4.025 1.00 0.00 C ATOM 110 OG1 THR A 9 12.867 10.688 -4.471 1.00 0.00 O ATOM 111 CG2 THR A 9 13.407 8.469 -5.064 1.00 0.00 C ATOM 0 H THR A 9 10.848 10.501 -5.669 1.00 0.00 H new ATOM 0 HA THR A 9 10.908 8.079 -3.889 1.00 0.00 H new ATOM 0 HB THR A 9 13.057 9.129 -3.027 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.823 10.904 -4.464 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.480 8.648 -5.005 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.203 7.418 -4.857 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.052 8.718 -6.064 1.00 0.00 H new ATOM 119 N GLY A 10 9.124 9.890 -3.015 1.00 0.00 N ATOM 120 CA GLY A 10 8.276 10.611 -2.013 1.00 0.00 C ATOM 121 C GLY A 10 7.741 9.543 -1.058 1.00 0.00 C ATOM 122 O GLY A 10 8.444 8.585 -0.807 1.00 0.00 O ATOM 0 H GLY A 10 8.596 9.375 -3.719 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.860 11.357 -1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.458 11.139 -2.503 1.00 0.00 H new ATOM 126 N ILE A 11 6.543 9.754 -0.559 1.00 0.00 N ATOM 127 CA ILE A 11 5.829 8.825 0.395 1.00 0.00 C ATOM 128 C ILE A 11 6.412 7.392 0.445 1.00 0.00 C ATOM 129 O ILE A 11 6.682 6.857 1.502 1.00 0.00 O ATOM 130 CB ILE A 11 4.319 8.856 -0.045 1.00 0.00 C ATOM 131 CG1 ILE A 11 3.337 8.258 1.006 1.00 0.00 C ATOM 132 CG2 ILE A 11 4.097 8.191 -1.423 1.00 0.00 C ATOM 133 CD1 ILE A 11 3.459 6.732 1.194 1.00 0.00 C ATOM 0 H ILE A 11 5.996 10.584 -0.788 1.00 0.00 H new ATOM 0 HA ILE A 11 5.958 9.165 1.422 1.00 0.00 H new ATOM 0 HB ILE A 11 4.082 9.917 -0.125 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.510 8.745 1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.316 8.495 0.708 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.040 8.237 -1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.680 8.717 -2.179 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.415 7.149 -1.380 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.740 6.399 1.943 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.255 6.231 0.247 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.468 6.486 1.525 1.00 0.00 H new ATOM 145 N ASN A 12 6.586 6.838 -0.729 1.00 0.00 N ATOM 146 CA ASN A 12 7.138 5.461 -0.919 1.00 0.00 C ATOM 147 C ASN A 12 6.472 4.418 0.008 1.00 0.00 C ATOM 148 O ASN A 12 7.114 3.807 0.840 1.00 0.00 O ATOM 149 CB ASN A 12 8.680 5.537 -0.668 1.00 0.00 C ATOM 150 CG ASN A 12 9.399 4.221 -1.019 1.00 0.00 C ATOM 151 OD1 ASN A 12 8.856 3.389 -1.863 1.00 0.00 O flip ATOM 152 ND2 ASN A 12 10.475 3.936 -0.534 1.00 0.00 N flip ATOM 0 H ASN A 12 6.356 7.309 -1.604 1.00 0.00 H new ATOM 0 HA ASN A 12 6.925 5.124 -1.934 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.102 6.348 -1.262 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.863 5.780 0.379 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.920 4.571 0.129 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.934 3.062 -0.789 1.00 0.00 H new ATOM 159 N HIS A 13 5.184 4.236 -0.170 1.00 0.00 N ATOM 160 CA HIS A 13 4.450 3.240 0.683 1.00 0.00 C ATOM 161 C HIS A 13 4.915 1.791 0.430 1.00 0.00 C ATOM 162 O HIS A 13 4.483 0.896 1.129 1.00 0.00 O ATOM 163 CB HIS A 13 2.912 3.367 0.418 1.00 0.00 C ATOM 164 CG HIS A 13 2.480 3.231 -1.061 1.00 0.00 C ATOM 165 ND1 HIS A 13 1.314 3.633 -1.506 1.00 0.00 N ATOM 166 CD2 HIS A 13 3.133 2.701 -2.178 1.00 0.00 C ATOM 167 CE1 HIS A 13 1.196 3.399 -2.778 1.00 0.00 C ATOM 168 NE2 HIS A 13 2.296 2.837 -3.172 1.00 0.00 N ATOM 0 H HIS A 13 4.614 4.726 -0.859 1.00 0.00 H new ATOM 0 HA HIS A 13 4.673 3.466 1.726 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.396 2.604 1.001 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.575 4.335 0.790 1.00 0.00 H new ATOM 0 HD1 HIS A 13 0.595 4.071 -0.930 1.00 0.00 H new ATOM 0 HD2 HIS A 13 4.122 2.269 -2.212 1.00 0.00 H new ATOM 0 HE1 HIS A 13 0.340 3.630 -3.394 1.00 0.00 H new ATOM 177 N SER A 14 5.768 1.633 -0.559 1.00 0.00 N ATOM 178 CA SER A 14 6.365 0.316 -0.990 1.00 0.00 C ATOM 179 C SER A 14 6.271 -0.829 0.033 1.00 0.00 C ATOM 180 O SER A 14 5.822 -1.905 -0.304 1.00 0.00 O ATOM 181 CB SER A 14 7.840 0.584 -1.358 1.00 0.00 C ATOM 182 OG SER A 14 8.368 -0.676 -1.746 1.00 0.00 O ATOM 0 H SER A 14 6.096 2.417 -1.122 1.00 0.00 H new ATOM 0 HA SER A 14 5.774 -0.042 -1.833 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.917 1.308 -2.169 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.388 0.995 -0.510 1.00 0.00 H new ATOM 0 HG SER A 14 9.310 -0.573 -1.996 1.00 0.00 H new ATOM 188 N ALA A 15 6.712 -0.560 1.238 1.00 0.00 N ATOM 189 CA ALA A 15 6.685 -1.560 2.357 1.00 0.00 C ATOM 190 C ALA A 15 5.428 -2.452 2.301 1.00 0.00 C ATOM 191 O ALA A 15 5.490 -3.665 2.378 1.00 0.00 O ATOM 192 CB ALA A 15 6.732 -0.792 3.686 1.00 0.00 C ATOM 0 H ALA A 15 7.104 0.344 1.502 1.00 0.00 H new ATOM 0 HA ALA A 15 7.547 -2.221 2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.713 -1.499 4.516 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.647 -0.202 3.733 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.869 -0.130 3.754 1.00 0.00 H new ATOM 198 N CYS A 16 4.311 -1.786 2.148 1.00 0.00 N ATOM 199 CA CYS A 16 2.991 -2.472 2.077 1.00 0.00 C ATOM 200 C CYS A 16 2.919 -3.263 0.768 1.00 0.00 C ATOM 201 O CYS A 16 2.619 -4.440 0.793 1.00 0.00 O ATOM 202 CB CYS A 16 1.891 -1.401 2.148 1.00 0.00 C ATOM 203 SG CYS A 16 0.189 -2.004 2.223 1.00 0.00 S ATOM 0 H CYS A 16 4.261 -0.770 2.068 1.00 0.00 H new ATOM 0 HA CYS A 16 2.857 -3.169 2.904 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.073 -0.781 3.026 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.987 -0.754 1.276 1.00 0.00 H new ATOM 208 N ALA A 17 3.186 -2.603 -0.335 1.00 0.00 N ATOM 209 CA ALA A 17 3.152 -3.288 -1.670 1.00 0.00 C ATOM 210 C ALA A 17 3.878 -4.634 -1.548 1.00 0.00 C ATOM 211 O ALA A 17 3.316 -5.666 -1.844 1.00 0.00 O ATOM 212 CB ALA A 17 3.843 -2.399 -2.721 1.00 0.00 C ATOM 0 H ALA A 17 3.428 -1.613 -0.369 1.00 0.00 H new ATOM 0 HA ALA A 17 2.122 -3.458 -1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.819 -2.896 -3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.322 -1.444 -2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.879 -2.227 -2.428 1.00 0.00 H new ATOM 218 N ALA A 18 5.112 -4.576 -1.107 1.00 0.00 N ATOM 219 CA ALA A 18 5.953 -5.805 -0.927 1.00 0.00 C ATOM 220 C ALA A 18 5.128 -6.862 -0.182 1.00 0.00 C ATOM 221 O ALA A 18 4.846 -7.920 -0.711 1.00 0.00 O ATOM 222 CB ALA A 18 7.205 -5.427 -0.118 1.00 0.00 C ATOM 0 H ALA A 18 5.584 -3.707 -0.858 1.00 0.00 H new ATOM 0 HA ALA A 18 6.260 -6.211 -1.891 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.828 -6.310 0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.770 -4.666 -0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.906 -5.036 0.855 1.00 0.00 H new ATOM 228 N HIS A 19 4.772 -6.526 1.038 1.00 0.00 N ATOM 229 CA HIS A 19 3.956 -7.441 1.901 1.00 0.00 C ATOM 230 C HIS A 19 2.820 -8.108 1.091 1.00 0.00 C ATOM 231 O HIS A 19 2.693 -9.316 1.057 1.00 0.00 O ATOM 232 CB HIS A 19 3.400 -6.593 3.063 1.00 0.00 C ATOM 233 CG HIS A 19 2.527 -7.449 3.985 1.00 0.00 C ATOM 234 ND1 HIS A 19 2.924 -8.537 4.592 1.00 0.00 N ATOM 235 CD2 HIS A 19 1.197 -7.267 4.359 1.00 0.00 C ATOM 236 CE1 HIS A 19 1.960 -9.039 5.301 1.00 0.00 C ATOM 237 NE2 HIS A 19 0.924 -8.267 5.155 1.00 0.00 N ATOM 0 H HIS A 19 5.018 -5.640 1.479 1.00 0.00 H new ATOM 0 HA HIS A 19 4.571 -8.254 2.287 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.223 -6.161 3.631 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.815 -5.763 2.667 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.534 -6.470 4.056 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.009 -9.935 5.903 1.00 0.00 H new ATOM 0 HE2 HIS A 19 0.020 -8.421 5.602 1.00 0.00 H new ATOM 246 N CYS A 20 2.027 -7.280 0.458 1.00 0.00 N ATOM 247 CA CYS A 20 0.877 -7.764 -0.372 1.00 0.00 C ATOM 248 C CYS A 20 1.342 -8.731 -1.481 1.00 0.00 C ATOM 249 O CYS A 20 0.799 -9.810 -1.635 1.00 0.00 O ATOM 250 CB CYS A 20 0.179 -6.548 -0.988 1.00 0.00 C ATOM 251 SG CYS A 20 -0.473 -5.320 0.166 1.00 0.00 S ATOM 0 H CYS A 20 2.130 -6.265 0.482 1.00 0.00 H new ATOM 0 HA CYS A 20 0.187 -8.316 0.266 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.885 -6.050 -1.653 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.644 -6.905 -1.607 1.00 0.00 H new ATOM 256 N LEU A 21 2.324 -8.296 -2.229 1.00 0.00 N ATOM 257 CA LEU A 21 2.908 -9.102 -3.348 1.00 0.00 C ATOM 258 C LEU A 21 3.215 -10.527 -2.884 1.00 0.00 C ATOM 259 O LEU A 21 2.766 -11.477 -3.495 1.00 0.00 O ATOM 260 CB LEU A 21 4.204 -8.386 -3.844 1.00 0.00 C ATOM 261 CG LEU A 21 3.944 -7.518 -5.117 1.00 0.00 C ATOM 262 CD1 LEU A 21 3.708 -8.438 -6.340 1.00 0.00 C ATOM 263 CD2 LEU A 21 2.744 -6.550 -4.931 1.00 0.00 C ATOM 0 H LEU A 21 2.761 -7.383 -2.106 1.00 0.00 H new ATOM 0 HA LEU A 21 2.192 -9.175 -4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.596 -7.753 -3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.968 -9.131 -4.064 1.00 0.00 H new ATOM 0 HG LEU A 21 4.829 -6.904 -5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.527 -7.828 -7.225 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.588 -9.061 -6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.843 -9.074 -6.155 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.602 -5.968 -5.841 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.842 -7.125 -4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.945 -5.877 -4.098 1.00 0.00 H new ATOM 275 N LEU A 22 3.974 -10.609 -1.819 1.00 0.00 N ATOM 276 CA LEU A 22 4.369 -11.932 -1.225 1.00 0.00 C ATOM 277 C LEU A 22 3.157 -12.875 -1.142 1.00 0.00 C ATOM 278 O LEU A 22 3.222 -14.012 -1.570 1.00 0.00 O ATOM 279 CB LEU A 22 4.951 -11.713 0.194 1.00 0.00 C ATOM 280 CG LEU A 22 6.229 -10.818 0.156 1.00 0.00 C ATOM 281 CD1 LEU A 22 6.694 -10.536 1.597 1.00 0.00 C ATOM 282 CD2 LEU A 22 7.380 -11.516 -0.605 1.00 0.00 C ATOM 0 H LEU A 22 4.346 -9.799 -1.323 1.00 0.00 H new ATOM 0 HA LEU A 22 5.123 -12.388 -1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.198 -11.247 0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.194 -12.677 0.642 1.00 0.00 H new ATOM 0 HG LEU A 22 5.979 -9.891 -0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.587 -9.911 1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.903 -10.020 2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.922 -11.478 2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.256 -10.867 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.628 -12.454 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.068 -11.719 -1.630 1.00 0.00 H new ATOM 294 N ARG A 23 2.093 -12.352 -0.581 1.00 0.00 N ATOM 295 CA ARG A 23 0.824 -13.135 -0.424 1.00 0.00 C ATOM 296 C ARG A 23 0.359 -13.588 -1.828 1.00 0.00 C ATOM 297 O ARG A 23 0.017 -14.735 -2.038 1.00 0.00 O ATOM 298 CB ARG A 23 -0.238 -12.227 0.246 1.00 0.00 C ATOM 299 CG ARG A 23 -0.985 -13.014 1.348 1.00 0.00 C ATOM 300 CD ARG A 23 -2.140 -12.166 1.908 1.00 0.00 C ATOM 301 NE ARG A 23 -2.692 -12.863 3.110 1.00 0.00 N ATOM 302 CZ ARG A 23 -2.782 -12.227 4.245 1.00 0.00 C ATOM 303 NH1 ARG A 23 -3.795 -11.425 4.416 1.00 0.00 N ATOM 304 NH2 ARG A 23 -1.865 -12.415 5.155 1.00 0.00 N ATOM 0 H ARG A 23 2.049 -11.399 -0.219 1.00 0.00 H new ATOM 0 HA ARG A 23 0.975 -14.015 0.202 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.242 -11.348 0.677 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.947 -11.869 -0.501 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.373 -13.948 0.940 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.295 -13.278 2.149 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.786 -11.170 2.175 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.916 -12.036 1.154 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.998 -13.834 3.042 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.486 -11.311 3.674 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.897 -10.912 5.291 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.090 -13.053 4.974 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.923 -11.924 6.047 1.00 0.00 H new ATOM 318 N GLY A 24 0.368 -12.637 -2.730 1.00 0.00 N ATOM 319 CA GLY A 24 -0.040 -12.871 -4.153 1.00 0.00 C ATOM 320 C GLY A 24 -1.045 -11.815 -4.628 1.00 0.00 C ATOM 321 O GLY A 24 -2.098 -12.137 -5.144 1.00 0.00 O ATOM 0 H GLY A 24 0.650 -11.677 -2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.842 -12.851 -4.794 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.481 -13.863 -4.248 1.00 0.00 H new ATOM 325 N ASN A 25 -0.664 -10.578 -4.420 1.00 0.00 N ATOM 326 CA ASN A 25 -1.506 -9.403 -4.813 1.00 0.00 C ATOM 327 C ASN A 25 -0.664 -8.439 -5.659 1.00 0.00 C ATOM 328 O ASN A 25 0.498 -8.696 -5.898 1.00 0.00 O ATOM 329 CB ASN A 25 -1.994 -8.730 -3.532 1.00 0.00 C ATOM 330 CG ASN A 25 -2.832 -9.750 -2.762 1.00 0.00 C ATOM 331 OD1 ASN A 25 -2.213 -10.550 -1.941 1.00 0.00 O flip ATOM 332 ND2 ASN A 25 -4.034 -9.839 -2.900 1.00 0.00 N flip ATOM 0 H ASN A 25 0.222 -10.327 -3.981 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.364 -9.712 -5.409 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.149 -8.396 -2.930 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.587 -7.846 -3.766 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.521 -9.214 -3.542 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.557 -10.539 -2.374 1.00 0.00 H new ATOM 339 N ARG A 26 -1.265 -7.360 -6.092 1.00 0.00 N ATOM 340 CA ARG A 26 -0.544 -6.349 -6.923 1.00 0.00 C ATOM 341 C ARG A 26 -0.960 -4.941 -6.478 1.00 0.00 C ATOM 342 O ARG A 26 -1.055 -4.023 -7.270 1.00 0.00 O ATOM 343 CB ARG A 26 -0.879 -6.575 -8.443 1.00 0.00 C ATOM 344 CG ARG A 26 -2.399 -6.656 -8.755 1.00 0.00 C ATOM 345 CD ARG A 26 -2.976 -8.016 -8.310 1.00 0.00 C ATOM 346 NE ARG A 26 -4.341 -8.156 -8.888 1.00 0.00 N ATOM 347 CZ ARG A 26 -4.612 -9.154 -9.675 1.00 0.00 C ATOM 348 NH1 ARG A 26 -4.397 -10.368 -9.250 1.00 0.00 N ATOM 349 NH2 ARG A 26 -5.087 -8.876 -10.852 1.00 0.00 N ATOM 0 H ARG A 26 -2.241 -7.134 -5.901 1.00 0.00 H new ATOM 0 HA ARG A 26 0.532 -6.458 -6.789 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.443 -5.763 -9.024 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.402 -7.497 -8.776 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.924 -5.848 -8.244 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.564 -6.518 -9.824 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.335 -8.830 -8.649 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.016 -8.074 -7.222 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.062 -7.470 -8.667 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.022 -10.522 -8.314 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.604 -11.164 -9.854 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.233 -7.905 -11.126 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.313 -9.629 -11.502 1.00 0.00 H new ATOM 363 N GLY A 27 -1.193 -4.841 -5.196 1.00 0.00 N ATOM 364 CA GLY A 27 -1.609 -3.556 -4.551 1.00 0.00 C ATOM 365 C GLY A 27 -0.822 -3.353 -3.254 1.00 0.00 C ATOM 366 O GLY A 27 0.092 -4.108 -2.986 1.00 0.00 O ATOM 0 H GLY A 27 -1.110 -5.623 -4.546 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.431 -2.722 -5.230 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.678 -3.573 -4.340 1.00 0.00 H new ATOM 370 N GLY A 28 -1.183 -2.356 -2.479 1.00 0.00 N ATOM 371 CA GLY A 28 -0.448 -2.113 -1.193 1.00 0.00 C ATOM 372 C GLY A 28 -0.115 -0.640 -0.959 1.00 0.00 C ATOM 373 O GLY A 28 1.003 -0.212 -1.182 1.00 0.00 O ATOM 0 H GLY A 28 -1.945 -1.707 -2.677 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.052 -2.479 -0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.476 -2.692 -1.195 1.00 0.00 H new ATOM 377 N TYR A 29 -1.109 0.084 -0.508 1.00 0.00 N ATOM 378 CA TYR A 29 -0.938 1.543 -0.233 1.00 0.00 C ATOM 379 C TYR A 29 -1.512 1.929 1.137 1.00 0.00 C ATOM 380 O TYR A 29 -1.959 1.083 1.886 1.00 0.00 O ATOM 381 CB TYR A 29 -1.625 2.347 -1.379 1.00 0.00 C ATOM 382 CG TYR A 29 -3.138 2.076 -1.524 1.00 0.00 C ATOM 383 CD1 TYR A 29 -4.034 2.337 -0.502 1.00 0.00 C ATOM 384 CD2 TYR A 29 -3.625 1.565 -2.716 1.00 0.00 C ATOM 385 CE1 TYR A 29 -5.378 2.092 -0.662 1.00 0.00 C ATOM 386 CE2 TYR A 29 -4.973 1.321 -2.878 1.00 0.00 C ATOM 387 CZ TYR A 29 -5.859 1.585 -1.848 1.00 0.00 C ATOM 388 OH TYR A 29 -7.212 1.352 -1.982 1.00 0.00 O ATOM 0 H TYR A 29 -2.043 -0.279 -0.317 1.00 0.00 H new ATOM 0 HA TYR A 29 0.125 1.782 -0.203 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.473 3.412 -1.202 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.133 2.107 -2.321 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.673 2.738 0.433 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.943 1.356 -3.526 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.061 2.299 0.149 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.339 0.922 -3.813 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.710 1.988 -1.427 1.00 0.00 H new ATOM 398 N CYS A 30 -1.483 3.215 1.390 1.00 0.00 N ATOM 399 CA CYS A 30 -1.990 3.784 2.670 1.00 0.00 C ATOM 400 C CYS A 30 -3.420 4.299 2.446 1.00 0.00 C ATOM 401 O CYS A 30 -3.667 5.076 1.551 1.00 0.00 O ATOM 402 CB CYS A 30 -1.015 4.913 3.086 1.00 0.00 C ATOM 403 SG CYS A 30 -0.885 6.431 2.105 1.00 0.00 S ATOM 0 H CYS A 30 -1.117 3.911 0.740 1.00 0.00 H new ATOM 0 HA CYS A 30 -2.032 3.044 3.469 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.281 5.209 4.101 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.018 4.475 3.133 1.00 0.00 H new ATOM 408 N ASN A 31 -4.333 3.846 3.268 1.00 0.00 N ATOM 409 CA ASN A 31 -5.763 4.289 3.126 1.00 0.00 C ATOM 410 C ASN A 31 -6.064 5.574 3.923 1.00 0.00 C ATOM 411 O ASN A 31 -5.203 6.044 4.641 1.00 0.00 O ATOM 412 CB ASN A 31 -6.665 3.117 3.600 1.00 0.00 C ATOM 413 CG ASN A 31 -6.523 2.782 5.097 1.00 0.00 C ATOM 414 OD1 ASN A 31 -5.784 3.510 5.885 1.00 0.00 O flip ATOM 415 ND2 ASN A 31 -7.104 1.830 5.574 1.00 0.00 N flip ATOM 0 H ASN A 31 -4.156 3.191 4.030 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.962 4.535 2.083 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.706 3.366 3.391 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.426 2.229 3.015 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.690 1.241 4.982 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.007 1.618 6.567 1.00 0.00 H new ATOM 422 N GLY A 32 -7.267 6.081 3.752 1.00 0.00 N ATOM 423 CA GLY A 32 -7.772 7.328 4.433 1.00 0.00 C ATOM 424 C GLY A 32 -6.945 7.835 5.618 1.00 0.00 C ATOM 425 O GLY A 32 -6.472 8.955 5.624 1.00 0.00 O ATOM 0 H GLY A 32 -7.958 5.656 3.133 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.830 8.124 3.691 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.788 7.141 4.780 1.00 0.00 H new ATOM 429 N LYS A 33 -6.801 6.972 6.590 1.00 0.00 N ATOM 430 CA LYS A 33 -6.018 7.316 7.819 1.00 0.00 C ATOM 431 C LYS A 33 -4.523 7.204 7.524 1.00 0.00 C ATOM 432 O LYS A 33 -3.776 8.135 7.750 1.00 0.00 O ATOM 433 CB LYS A 33 -6.443 6.331 8.956 1.00 0.00 C ATOM 434 CG LYS A 33 -5.571 6.411 10.250 1.00 0.00 C ATOM 435 CD LYS A 33 -4.118 5.854 10.040 1.00 0.00 C ATOM 436 CE LYS A 33 -3.442 5.586 11.383 1.00 0.00 C ATOM 437 NZ LYS A 33 -3.322 6.860 12.150 1.00 0.00 N ATOM 0 H LYS A 33 -7.197 6.032 6.586 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.219 8.340 8.133 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.481 6.530 9.221 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.403 5.313 8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.513 7.448 10.580 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.059 5.849 11.047 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.157 4.934 9.457 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.528 6.570 9.467 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.021 4.860 11.954 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.455 5.152 11.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.702 6.713 12.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.917 7.597 11.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.263 7.159 12.475 1.00 0.00 H new ATOM 451 N GLY A 34 -4.143 6.060 7.024 1.00 0.00 N ATOM 452 CA GLY A 34 -2.719 5.780 6.683 1.00 0.00 C ATOM 453 C GLY A 34 -2.370 4.418 7.275 1.00 0.00 C ATOM 454 O GLY A 34 -1.500 4.291 8.111 1.00 0.00 O ATOM 0 H GLY A 34 -4.779 5.286 6.832 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.576 5.777 5.602 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.067 6.554 7.089 1.00 0.00 H new ATOM 458 N VAL A 35 -3.100 3.446 6.799 1.00 0.00 N ATOM 459 CA VAL A 35 -2.939 2.022 7.226 1.00 0.00 C ATOM 460 C VAL A 35 -2.630 1.263 5.933 1.00 0.00 C ATOM 461 O VAL A 35 -3.033 1.708 4.876 1.00 0.00 O ATOM 462 CB VAL A 35 -4.263 1.483 7.844 1.00 0.00 C ATOM 463 CG1 VAL A 35 -4.027 0.084 8.442 1.00 0.00 C ATOM 464 CG2 VAL A 35 -4.812 2.424 8.939 1.00 0.00 C ATOM 0 H VAL A 35 -3.832 3.586 6.103 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.161 1.908 7.981 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.002 1.430 7.045 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.956 -0.289 8.873 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.693 -0.595 7.658 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.265 0.144 9.219 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.736 2.011 9.344 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.077 2.520 9.738 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.011 3.406 8.509 1.00 0.00 H new ATOM 474 N CYS A 36 -1.956 0.150 6.058 1.00 0.00 N ATOM 475 CA CYS A 36 -1.598 -0.665 4.855 1.00 0.00 C ATOM 476 C CYS A 36 -2.709 -1.624 4.417 1.00 0.00 C ATOM 477 O CYS A 36 -3.052 -2.553 5.122 1.00 0.00 O ATOM 478 CB CYS A 36 -0.322 -1.468 5.173 1.00 0.00 C ATOM 479 SG CYS A 36 0.102 -2.836 4.062 1.00 0.00 S ATOM 0 H CYS A 36 -1.635 -0.234 6.947 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.442 0.025 4.026 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.518 -0.773 5.188 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.420 -1.871 6.181 1.00 0.00 H new ATOM 484 N VAL A 37 -3.232 -1.346 3.251 1.00 0.00 N ATOM 485 CA VAL A 37 -4.324 -2.181 2.665 1.00 0.00 C ATOM 486 C VAL A 37 -3.816 -2.678 1.302 1.00 0.00 C ATOM 487 O VAL A 37 -3.002 -2.010 0.691 1.00 0.00 O ATOM 488 CB VAL A 37 -5.601 -1.306 2.500 1.00 0.00 C ATOM 489 CG1 VAL A 37 -5.992 -0.694 3.872 1.00 0.00 C ATOM 490 CG2 VAL A 37 -5.367 -0.157 1.495 1.00 0.00 C ATOM 0 H VAL A 37 -2.943 -0.560 2.669 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.580 -3.027 3.302 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.400 -1.945 2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.886 -0.082 3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.191 -1.495 4.584 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.174 -0.075 4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.277 0.436 1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.555 0.478 1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.103 -0.572 0.522 1.00 0.00 H new ATOM 500 N CYS A 38 -4.307 -3.811 0.854 1.00 0.00 N ATOM 501 CA CYS A 38 -3.850 -4.359 -0.465 1.00 0.00 C ATOM 502 C CYS A 38 -4.963 -4.269 -1.501 1.00 0.00 C ATOM 503 O CYS A 38 -6.122 -4.120 -1.164 1.00 0.00 O ATOM 504 CB CYS A 38 -3.433 -5.827 -0.289 1.00 0.00 C ATOM 505 SG CYS A 38 -2.137 -6.184 0.923 1.00 0.00 S ATOM 0 H CYS A 38 -5.001 -4.377 1.342 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.002 -3.769 -0.814 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.319 -6.398 -0.013 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.101 -6.202 -1.257 1.00 0.00 H new ATOM 510 N ARG A 39 -4.558 -4.367 -2.740 1.00 0.00 N ATOM 511 CA ARG A 39 -5.529 -4.298 -3.869 1.00 0.00 C ATOM 512 C ARG A 39 -5.254 -5.292 -4.991 1.00 0.00 C ATOM 513 O ARG A 39 -4.225 -5.939 -5.069 1.00 0.00 O ATOM 514 CB ARG A 39 -5.516 -2.848 -4.441 1.00 0.00 C ATOM 515 CG ARG A 39 -6.520 -1.957 -3.698 1.00 0.00 C ATOM 516 CD ARG A 39 -7.942 -2.322 -4.164 1.00 0.00 C ATOM 517 NE ARG A 39 -8.904 -1.428 -3.459 1.00 0.00 N ATOM 518 CZ ARG A 39 -9.579 -0.524 -4.117 1.00 0.00 C ATOM 519 NH1 ARG A 39 -10.346 -0.891 -5.107 1.00 0.00 N ATOM 520 NH2 ARG A 39 -9.442 0.715 -3.740 1.00 0.00 N ATOM 0 H ARG A 39 -3.585 -4.493 -3.020 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.506 -4.567 -3.467 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.515 -2.427 -4.352 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.760 -2.870 -5.503 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.427 -2.099 -2.621 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.314 -0.906 -3.900 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.031 -2.201 -5.244 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.159 -3.367 -3.941 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.037 -1.523 -2.452 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.414 -1.877 -5.361 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.877 -0.192 -5.627 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.827 0.946 -2.960 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.950 1.455 -4.225 1.00 0.00 H new ATOM 534 N ASN A 40 -6.252 -5.345 -5.834 1.00 0.00 N ATOM 535 CA ASN A 40 -6.245 -6.230 -7.024 1.00 0.00 C ATOM 536 C ASN A 40 -6.412 -5.368 -8.288 1.00 0.00 C ATOM 537 O ASN A 40 -5.727 -5.679 -9.248 1.00 0.00 O ATOM 538 CB ASN A 40 -7.396 -7.267 -6.884 1.00 0.00 C ATOM 539 CG ASN A 40 -8.771 -6.627 -6.598 1.00 0.00 C ATOM 540 OD1 ASN A 40 -9.393 -6.017 -7.444 1.00 0.00 O ATOM 541 ND2 ASN A 40 -9.292 -6.739 -5.406 1.00 0.00 N ATOM 542 OXT ASN A 40 -7.214 -4.449 -8.226 1.00 0.00 O ATOM 0 H ASN A 40 -7.101 -4.788 -5.737 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.302 -6.772 -7.103 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.460 -7.852 -7.801 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.153 -7.961 -6.079 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.200 -6.319 -5.205 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.791 -7.246 -4.676 1.00 0.00 H new