USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=8 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 Set 1.1: A 12 ASN :FLIP amide:sc= -0.112 F(o=-0.24,f=0.93) USER MOD Set 1.2: A 14 SER OG : rot 77:sc= 1.04 USER MOD Single : A 2 THR OG1 : rot -40:sc= 0.175 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0253 USER MOD Single : A 9 THR OG1 : rot 54:sc= 0.293 USER MOD Single : A 13 HIS :FLIP no HD1:sc= -0.413 F(o=-3.2,f=-0.41) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -7.12! C(o=-7.1!,f=-12!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -3.21! C(o=-3.2!,f=-5.5!) USER MOD Single : A 33 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0594) USER MOD Single : A 40 ASN : amide:sc= -0.0699 K(o=-0.07,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 13 N THR A 2 -3.542 9.541 -0.269 1.00 0.00 N ATOM 14 CA THR A 2 -2.368 10.325 0.224 1.00 0.00 C ATOM 15 C THR A 2 -1.096 9.509 -0.004 1.00 0.00 C ATOM 16 O THR A 2 -0.171 9.969 -0.640 1.00 0.00 O ATOM 17 CB THR A 2 -2.571 10.625 1.732 1.00 0.00 C ATOM 18 OG1 THR A 2 -2.856 9.371 2.343 1.00 0.00 O ATOM 19 CG2 THR A 2 -3.827 11.482 1.970 1.00 0.00 C ATOM 0 HA THR A 2 -2.277 11.268 -0.314 1.00 0.00 H new ATOM 0 HB THR A 2 -1.691 11.139 2.118 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.445 8.849 1.759 1.00 0.00 H new ATOM 0 HG21 THR A 2 -3.940 11.674 3.037 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.727 12.429 1.440 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.705 10.951 1.602 1.00 0.00 H new ATOM 27 N CYS A 3 -1.094 8.313 0.525 1.00 0.00 N ATOM 28 CA CYS A 3 0.083 7.406 0.376 1.00 0.00 C ATOM 29 C CYS A 3 -0.249 6.310 -0.647 1.00 0.00 C ATOM 30 O CYS A 3 -0.529 5.176 -0.324 1.00 0.00 O ATOM 31 CB CYS A 3 0.439 6.790 1.771 1.00 0.00 C ATOM 32 SG CYS A 3 1.152 5.121 1.791 1.00 0.00 S ATOM 0 H CYS A 3 -1.868 7.921 1.061 1.00 0.00 H new ATOM 0 HA CYS A 3 0.948 7.962 0.015 1.00 0.00 H new ATOM 0 HB2 CYS A 3 1.140 7.462 2.266 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -0.469 6.775 2.374 1.00 0.00 H new ATOM 37 N ASP A 4 -0.223 6.707 -1.890 1.00 0.00 N ATOM 38 CA ASP A 4 -0.517 5.760 -3.008 1.00 0.00 C ATOM 39 C ASP A 4 0.592 5.845 -4.057 1.00 0.00 C ATOM 40 O ASP A 4 1.440 6.715 -3.985 1.00 0.00 O ATOM 41 CB ASP A 4 -1.889 6.141 -3.592 1.00 0.00 C ATOM 42 CG ASP A 4 -1.870 7.624 -3.983 1.00 0.00 C ATOM 43 OD1 ASP A 4 -1.340 7.907 -5.042 1.00 0.00 O ATOM 44 OD2 ASP A 4 -2.387 8.387 -3.183 1.00 0.00 O ATOM 0 H ASP A 4 -0.008 7.660 -2.184 1.00 0.00 H new ATOM 0 HA ASP A 4 -0.551 4.728 -2.658 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -2.112 5.525 -4.463 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -2.675 5.955 -2.860 1.00 0.00 H new ATOM 49 N LEU A 5 0.544 4.936 -4.996 1.00 0.00 N ATOM 50 CA LEU A 5 1.565 4.903 -6.086 1.00 0.00 C ATOM 51 C LEU A 5 0.906 5.136 -7.443 1.00 0.00 C ATOM 52 O LEU A 5 -0.064 4.486 -7.785 1.00 0.00 O ATOM 53 CB LEU A 5 2.272 3.531 -6.084 1.00 0.00 C ATOM 54 CG LEU A 5 3.377 3.481 -5.001 1.00 0.00 C ATOM 55 CD1 LEU A 5 3.850 2.017 -4.862 1.00 0.00 C ATOM 56 CD2 LEU A 5 4.582 4.335 -5.485 1.00 0.00 C ATOM 0 H LEU A 5 -0.167 4.207 -5.055 1.00 0.00 H new ATOM 0 HA LEU A 5 2.293 5.695 -5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.543 2.742 -5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.709 3.341 -7.064 1.00 0.00 H new ATOM 0 HG LEU A 5 2.998 3.858 -4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.630 1.957 -4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.009 1.389 -4.568 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.245 1.670 -5.817 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.371 4.311 -4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.962 3.929 -6.423 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.260 5.365 -5.639 1.00 0.00 H new ATOM 68 N LEU A 6 1.476 6.073 -8.158 1.00 0.00 N ATOM 69 CA LEU A 6 0.982 6.443 -9.514 1.00 0.00 C ATOM 70 C LEU A 6 2.222 6.381 -10.425 1.00 0.00 C ATOM 71 O LEU A 6 2.502 5.339 -10.982 1.00 0.00 O ATOM 72 CB LEU A 6 0.370 7.870 -9.430 1.00 0.00 C ATOM 73 CG LEU A 6 -0.762 7.920 -8.360 1.00 0.00 C ATOM 74 CD1 LEU A 6 -1.234 9.372 -8.181 1.00 0.00 C ATOM 75 CD2 LEU A 6 -1.973 7.064 -8.799 1.00 0.00 C ATOM 0 H LEU A 6 2.285 6.610 -7.847 1.00 0.00 H new ATOM 0 HA LEU A 6 0.205 5.785 -9.904 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.148 8.591 -9.178 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.029 8.158 -10.403 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.364 7.527 -7.425 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.026 9.408 -7.433 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.397 9.989 -7.853 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.614 9.751 -9.130 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.750 7.115 -8.036 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.365 7.445 -9.742 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.659 6.028 -8.929 1.00 0.00 H new ATOM 87 N SER A 7 2.933 7.477 -10.560 1.00 0.00 N ATOM 88 CA SER A 7 4.159 7.498 -11.425 1.00 0.00 C ATOM 89 C SER A 7 5.110 8.610 -10.949 1.00 0.00 C ATOM 90 O SER A 7 4.676 9.565 -10.335 1.00 0.00 O ATOM 91 CB SER A 7 3.741 7.755 -12.884 1.00 0.00 C ATOM 92 OG SER A 7 4.949 7.654 -13.629 1.00 0.00 O ATOM 0 H SER A 7 2.715 8.364 -10.105 1.00 0.00 H new ATOM 0 HA SER A 7 4.674 6.540 -11.357 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.006 7.023 -13.220 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.286 8.739 -12.998 1.00 0.00 H new ATOM 0 HG SER A 7 4.761 7.806 -14.579 1.00 0.00 H new ATOM 98 N GLY A 8 6.376 8.448 -11.244 1.00 0.00 N ATOM 99 CA GLY A 8 7.391 9.470 -10.840 1.00 0.00 C ATOM 100 C GLY A 8 8.060 9.136 -9.506 1.00 0.00 C ATOM 101 O GLY A 8 8.794 8.173 -9.392 1.00 0.00 O ATOM 0 H GLY A 8 6.752 7.647 -11.751 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.153 9.547 -11.616 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.910 10.446 -10.767 1.00 0.00 H new ATOM 105 N THR A 9 7.767 9.964 -8.537 1.00 0.00 N ATOM 106 CA THR A 9 8.322 9.810 -7.160 1.00 0.00 C ATOM 107 C THR A 9 7.184 9.667 -6.139 1.00 0.00 C ATOM 108 O THR A 9 6.887 10.587 -5.400 1.00 0.00 O ATOM 109 CB THR A 9 9.191 11.053 -6.842 1.00 0.00 C ATOM 110 OG1 THR A 9 8.356 12.167 -7.131 1.00 0.00 O ATOM 111 CG2 THR A 9 10.368 11.191 -7.824 1.00 0.00 C ATOM 0 H THR A 9 7.146 10.766 -8.648 1.00 0.00 H new ATOM 0 HA THR A 9 8.934 8.910 -7.102 1.00 0.00 H new ATOM 0 HB THR A 9 9.565 10.984 -5.821 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.513 12.081 -6.638 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.954 12.074 -7.568 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.000 10.305 -7.761 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.985 11.291 -8.839 1.00 0.00 H new ATOM 119 N GLY A 10 6.574 8.509 -6.118 1.00 0.00 N ATOM 120 CA GLY A 10 5.455 8.289 -5.152 1.00 0.00 C ATOM 121 C GLY A 10 6.033 7.700 -3.865 1.00 0.00 C ATOM 122 O GLY A 10 7.132 7.180 -3.865 1.00 0.00 O ATOM 0 H GLY A 10 6.798 7.716 -6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.945 9.229 -4.942 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.714 7.613 -5.578 1.00 0.00 H new ATOM 126 N ILE A 11 5.259 7.813 -2.813 1.00 0.00 N ATOM 127 CA ILE A 11 5.647 7.299 -1.456 1.00 0.00 C ATOM 128 C ILE A 11 6.380 5.953 -1.408 1.00 0.00 C ATOM 129 O ILE A 11 7.081 5.682 -0.453 1.00 0.00 O ATOM 130 CB ILE A 11 4.359 7.232 -0.575 1.00 0.00 C ATOM 131 CG1 ILE A 11 3.214 6.345 -1.170 1.00 0.00 C ATOM 132 CG2 ILE A 11 3.824 8.668 -0.382 1.00 0.00 C ATOM 133 CD1 ILE A 11 3.422 4.841 -0.917 1.00 0.00 C ATOM 0 H ILE A 11 4.341 8.256 -2.838 1.00 0.00 H new ATOM 0 HA ILE A 11 6.386 8.006 -1.079 1.00 0.00 H new ATOM 0 HB ILE A 11 4.650 6.765 0.366 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.262 6.652 -0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.147 6.521 -2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.923 8.641 0.232 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.582 9.275 0.112 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.588 9.102 -1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.595 4.281 -1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.358 4.521 -1.374 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.460 4.654 0.156 1.00 0.00 H new ATOM 145 N ASN A 12 6.185 5.175 -2.444 1.00 0.00 N ATOM 146 CA ASN A 12 6.789 3.811 -2.615 1.00 0.00 C ATOM 147 C ASN A 12 7.272 3.154 -1.307 1.00 0.00 C ATOM 148 O ASN A 12 8.438 2.872 -1.119 1.00 0.00 O ATOM 149 CB ASN A 12 7.964 3.932 -3.619 1.00 0.00 C ATOM 150 CG ASN A 12 8.471 2.548 -4.079 1.00 0.00 C ATOM 151 OD1 ASN A 12 7.842 1.453 -3.745 1.00 0.00 O flip ATOM 152 ND2 ASN A 12 9.466 2.449 -4.768 1.00 0.00 N flip ATOM 0 H ASN A 12 5.593 5.449 -3.228 1.00 0.00 H new ATOM 0 HA ASN A 12 6.003 3.153 -2.985 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.643 4.508 -4.487 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.782 4.483 -3.156 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.979 3.286 -5.046 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.788 1.529 -5.069 1.00 0.00 H new ATOM 159 N HIS A 13 6.311 2.952 -0.442 1.00 0.00 N ATOM 160 CA HIS A 13 6.539 2.316 0.899 1.00 0.00 C ATOM 161 C HIS A 13 7.563 1.162 0.870 1.00 0.00 C ATOM 162 O HIS A 13 8.343 1.013 1.789 1.00 0.00 O ATOM 163 CB HIS A 13 5.164 1.806 1.432 1.00 0.00 C ATOM 164 CG HIS A 13 4.630 2.691 2.579 1.00 0.00 C ATOM 165 ND1 HIS A 13 5.316 3.408 3.563 1.00 0.00 N flip ATOM 166 CD2 HIS A 13 3.358 2.902 2.819 1.00 0.00 C flip ATOM 167 CE1 HIS A 13 4.390 3.973 4.291 1.00 0.00 C flip ATOM 168 NE2 HIS A 13 3.208 3.675 3.853 1.00 0.00 N flip ATOM 0 H HIS A 13 5.340 3.211 -0.614 1.00 0.00 H new ATOM 0 HA HIS A 13 6.967 3.070 1.559 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.441 1.792 0.617 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.268 0.779 1.783 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.547 2.490 2.237 1.00 0.00 H new ATOM 0 HE1 HIS A 13 4.584 4.605 5.145 1.00 0.00 H new ATOM 0 HE2 HIS A 13 2.322 3.990 4.247 1.00 0.00 H new ATOM 177 N SER A 14 7.510 0.386 -0.188 1.00 0.00 N ATOM 178 CA SER A 14 8.429 -0.791 -0.390 1.00 0.00 C ATOM 179 C SER A 14 8.389 -1.830 0.748 1.00 0.00 C ATOM 180 O SER A 14 9.156 -2.774 0.757 1.00 0.00 O ATOM 181 CB SER A 14 9.872 -0.259 -0.565 1.00 0.00 C ATOM 182 OG SER A 14 9.794 0.497 -1.766 1.00 0.00 O ATOM 0 H SER A 14 6.844 0.523 -0.949 1.00 0.00 H new ATOM 0 HA SER A 14 8.082 -1.319 -1.279 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.180 0.357 0.280 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.594 -1.072 -0.646 1.00 0.00 H new ATOM 0 HG SER A 14 9.353 1.353 -1.585 1.00 0.00 H new ATOM 188 N ALA A 15 7.482 -1.619 1.666 1.00 0.00 N ATOM 189 CA ALA A 15 7.301 -2.528 2.835 1.00 0.00 C ATOM 190 C ALA A 15 5.879 -3.052 2.650 1.00 0.00 C ATOM 191 O ALA A 15 5.678 -4.225 2.406 1.00 0.00 O ATOM 192 CB ALA A 15 7.445 -1.711 4.133 1.00 0.00 C ATOM 0 H ALA A 15 6.839 -0.827 1.652 1.00 0.00 H new ATOM 0 HA ALA A 15 8.029 -3.337 2.898 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.314 -2.368 4.993 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.436 -1.258 4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.687 -0.928 4.156 1.00 0.00 H new ATOM 198 N CYS A 16 4.943 -2.141 2.772 1.00 0.00 N ATOM 199 CA CYS A 16 3.491 -2.460 2.612 1.00 0.00 C ATOM 200 C CYS A 16 3.307 -3.252 1.311 1.00 0.00 C ATOM 201 O CYS A 16 2.863 -4.385 1.320 1.00 0.00 O ATOM 202 CB CYS A 16 2.717 -1.120 2.582 1.00 0.00 C ATOM 203 SG CYS A 16 1.007 -1.127 1.993 1.00 0.00 S ATOM 0 H CYS A 16 5.133 -1.161 2.982 1.00 0.00 H new ATOM 0 HA CYS A 16 3.112 -3.068 3.433 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.718 -0.713 3.593 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.280 -0.425 1.959 1.00 0.00 H new ATOM 208 N ALA A 17 3.666 -2.604 0.231 1.00 0.00 N ATOM 209 CA ALA A 17 3.562 -3.220 -1.123 1.00 0.00 C ATOM 210 C ALA A 17 4.177 -4.618 -1.099 1.00 0.00 C ATOM 211 O ALA A 17 3.479 -5.583 -1.330 1.00 0.00 O ATOM 212 CB ALA A 17 4.298 -2.316 -2.123 1.00 0.00 C ATOM 0 H ALA A 17 4.035 -1.653 0.234 1.00 0.00 H new ATOM 0 HA ALA A 17 2.518 -3.315 -1.422 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.234 -2.749 -3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.839 -1.328 -2.126 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.345 -2.229 -1.832 1.00 0.00 H new ATOM 218 N ALA A 18 5.460 -4.672 -0.821 1.00 0.00 N ATOM 219 CA ALA A 18 6.196 -5.976 -0.757 1.00 0.00 C ATOM 220 C ALA A 18 5.324 -7.042 -0.084 1.00 0.00 C ATOM 221 O ALA A 18 4.995 -8.043 -0.686 1.00 0.00 O ATOM 222 CB ALA A 18 7.503 -5.772 0.038 1.00 0.00 C ATOM 0 H ALA A 18 6.037 -3.852 -0.633 1.00 0.00 H new ATOM 0 HA ALA A 18 6.432 -6.316 -1.766 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.047 -6.715 0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 18 8.120 -5.025 -0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.266 -5.432 1.046 1.00 0.00 H new ATOM 228 N HIS A 19 4.971 -6.778 1.149 1.00 0.00 N ATOM 229 CA HIS A 19 4.120 -7.718 1.939 1.00 0.00 C ATOM 230 C HIS A 19 2.909 -8.198 1.112 1.00 0.00 C ATOM 231 O HIS A 19 2.753 -9.380 0.876 1.00 0.00 O ATOM 232 CB HIS A 19 3.645 -6.993 3.213 1.00 0.00 C ATOM 233 CG HIS A 19 2.877 -7.995 4.079 1.00 0.00 C ATOM 234 ND1 HIS A 19 3.436 -8.970 4.746 1.00 0.00 N ATOM 235 CD2 HIS A 19 1.512 -8.095 4.327 1.00 0.00 C ATOM 236 CE1 HIS A 19 2.539 -9.659 5.380 1.00 0.00 C ATOM 237 NE2 HIS A 19 1.384 -9.125 5.122 1.00 0.00 N ATOM 0 H HIS A 19 5.243 -5.933 1.651 1.00 0.00 H new ATOM 0 HA HIS A 19 4.705 -8.599 2.205 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.497 -6.592 3.762 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.007 -6.148 2.953 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.727 -7.459 3.945 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.720 -10.519 6.008 1.00 0.00 H new ATOM 0 HE2 HIS A 19 0.495 -9.464 5.490 1.00 0.00 H new ATOM 246 N CYS A 20 2.087 -7.264 0.697 1.00 0.00 N ATOM 247 CA CYS A 20 0.875 -7.615 -0.114 1.00 0.00 C ATOM 248 C CYS A 20 1.240 -8.480 -1.332 1.00 0.00 C ATOM 249 O CYS A 20 0.687 -9.544 -1.529 1.00 0.00 O ATOM 250 CB CYS A 20 0.203 -6.312 -0.567 1.00 0.00 C ATOM 251 SG CYS A 20 -0.518 -5.259 0.713 1.00 0.00 S ATOM 0 H CYS A 20 2.203 -6.268 0.885 1.00 0.00 H new ATOM 0 HA CYS A 20 0.192 -8.201 0.501 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.942 -5.723 -1.111 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.585 -6.568 -1.276 1.00 0.00 H new ATOM 256 N LEU A 21 2.169 -7.994 -2.113 1.00 0.00 N ATOM 257 CA LEU A 21 2.632 -8.726 -3.335 1.00 0.00 C ATOM 258 C LEU A 21 2.950 -10.172 -2.953 1.00 0.00 C ATOM 259 O LEU A 21 2.395 -11.088 -3.525 1.00 0.00 O ATOM 260 CB LEU A 21 3.881 -8.011 -3.893 1.00 0.00 C ATOM 261 CG LEU A 21 3.518 -6.575 -4.375 1.00 0.00 C ATOM 262 CD1 LEU A 21 4.813 -5.829 -4.729 1.00 0.00 C ATOM 263 CD2 LEU A 21 2.633 -6.635 -5.644 1.00 0.00 C ATOM 0 H LEU A 21 2.637 -7.102 -1.954 1.00 0.00 H new ATOM 0 HA LEU A 21 1.859 -8.733 -4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.651 -7.959 -3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.296 -8.585 -4.721 1.00 0.00 H new ATOM 0 HG LEU A 21 2.976 -6.065 -3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.572 -4.822 -5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.452 -5.772 -3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.335 -6.363 -5.522 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.390 -5.623 -5.966 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.172 -7.149 -6.440 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.713 -7.176 -5.421 1.00 0.00 H new ATOM 275 N LEU A 22 3.833 -10.319 -1.995 1.00 0.00 N ATOM 276 CA LEU A 22 4.246 -11.671 -1.507 1.00 0.00 C ATOM 277 C LEU A 22 3.005 -12.516 -1.195 1.00 0.00 C ATOM 278 O LEU A 22 2.898 -13.619 -1.694 1.00 0.00 O ATOM 279 CB LEU A 22 5.122 -11.506 -0.239 1.00 0.00 C ATOM 280 CG LEU A 22 6.474 -10.814 -0.589 1.00 0.00 C ATOM 281 CD1 LEU A 22 7.207 -10.473 0.722 1.00 0.00 C ATOM 282 CD2 LEU A 22 7.372 -11.771 -1.417 1.00 0.00 C ATOM 0 H LEU A 22 4.294 -9.542 -1.522 1.00 0.00 H new ATOM 0 HA LEU A 22 4.823 -12.181 -2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.587 -10.915 0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.312 -12.482 0.207 1.00 0.00 H new ATOM 0 HG LEU A 22 6.273 -9.914 -1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.156 -9.988 0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.591 -9.801 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.394 -11.389 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.313 -11.274 -1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.574 -12.672 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.861 -12.040 -2.342 1.00 0.00 H new ATOM 294 N ARG A 23 2.115 -11.993 -0.382 1.00 0.00 N ATOM 295 CA ARG A 23 0.871 -12.758 -0.032 1.00 0.00 C ATOM 296 C ARG A 23 0.208 -13.231 -1.342 1.00 0.00 C ATOM 297 O ARG A 23 -0.183 -14.374 -1.461 1.00 0.00 O ATOM 298 CB ARG A 23 -0.125 -11.864 0.739 1.00 0.00 C ATOM 299 CG ARG A 23 -1.012 -12.821 1.579 1.00 0.00 C ATOM 300 CD ARG A 23 -2.290 -12.143 2.079 1.00 0.00 C ATOM 301 NE ARG A 23 -3.181 -11.940 0.897 1.00 0.00 N ATOM 302 CZ ARG A 23 -4.266 -12.655 0.781 1.00 0.00 C ATOM 303 NH1 ARG A 23 -5.362 -12.238 1.351 1.00 0.00 N ATOM 304 NH2 ARG A 23 -4.197 -13.762 0.096 1.00 0.00 N ATOM 0 H ARG A 23 2.195 -11.074 0.053 1.00 0.00 H new ATOM 0 HA ARG A 23 1.138 -13.605 0.600 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.403 -11.159 1.382 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.732 -11.275 0.051 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.277 -13.690 0.976 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.440 -13.187 2.432 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.783 -12.760 2.830 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.058 -11.189 2.553 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.943 -11.248 0.186 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.362 -11.365 1.878 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.219 -12.785 1.270 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.314 -14.045 -0.329 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.026 -14.346 -0.015 1.00 0.00 H new ATOM 318 N GLY A 24 0.109 -12.309 -2.272 1.00 0.00 N ATOM 319 CA GLY A 24 -0.499 -12.610 -3.606 1.00 0.00 C ATOM 320 C GLY A 24 -1.474 -11.577 -4.186 1.00 0.00 C ATOM 321 O GLY A 24 -2.605 -11.915 -4.483 1.00 0.00 O ATOM 0 H GLY A 24 0.429 -11.347 -2.160 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.311 -12.748 -4.322 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.023 -13.563 -3.530 1.00 0.00 H new ATOM 325 N ASN A 25 -1.029 -10.351 -4.333 1.00 0.00 N ATOM 326 CA ASN A 25 -1.921 -9.284 -4.908 1.00 0.00 C ATOM 327 C ASN A 25 -1.112 -8.504 -5.957 1.00 0.00 C ATOM 328 O ASN A 25 0.023 -8.844 -6.228 1.00 0.00 O ATOM 329 CB ASN A 25 -2.418 -8.309 -3.776 1.00 0.00 C ATOM 330 CG ASN A 25 -1.501 -7.091 -3.549 1.00 0.00 C ATOM 331 OD1 ASN A 25 -1.962 -6.016 -3.230 1.00 0.00 O ATOM 332 ND2 ASN A 25 -0.211 -7.202 -3.696 1.00 0.00 N ATOM 0 H ASN A 25 -0.090 -10.040 -4.082 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.799 -9.740 -5.365 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.418 -7.956 -4.028 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.503 -8.866 -2.843 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.391 -6.393 -3.543 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.197 -8.098 -3.964 1.00 0.00 H new ATOM 339 N ARG A 26 -1.711 -7.481 -6.513 1.00 0.00 N ATOM 340 CA ARG A 26 -1.015 -6.645 -7.537 1.00 0.00 C ATOM 341 C ARG A 26 -1.280 -5.178 -7.149 1.00 0.00 C ATOM 342 O ARG A 26 -1.421 -4.303 -7.981 1.00 0.00 O ATOM 343 CB ARG A 26 -1.572 -6.967 -8.976 1.00 0.00 C ATOM 344 CG ARG A 26 -3.105 -6.736 -9.148 1.00 0.00 C ATOM 345 CD ARG A 26 -3.963 -7.929 -8.670 1.00 0.00 C ATOM 346 NE ARG A 26 -3.723 -9.116 -9.549 1.00 0.00 N ATOM 347 CZ ARG A 26 -4.705 -9.592 -10.269 1.00 0.00 C ATOM 348 NH1 ARG A 26 -5.837 -9.870 -9.685 1.00 0.00 N ATOM 349 NH2 ARG A 26 -4.521 -9.772 -11.546 1.00 0.00 N ATOM 0 H ARG A 26 -2.664 -7.187 -6.298 1.00 0.00 H new ATOM 0 HA ARG A 26 0.056 -6.849 -7.563 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.042 -6.351 -9.702 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.346 -8.006 -9.214 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.395 -5.844 -8.593 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.320 -6.541 -10.199 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.716 -8.175 -7.637 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.019 -7.659 -8.689 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.801 -9.550 -9.586 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.945 -9.715 -8.683 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.614 -10.242 -10.230 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -3.622 -9.542 -11.969 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.276 -10.143 -12.123 1.00 0.00 H new ATOM 363 N GLY A 27 -1.335 -4.992 -5.855 1.00 0.00 N ATOM 364 CA GLY A 27 -1.581 -3.667 -5.217 1.00 0.00 C ATOM 365 C GLY A 27 -0.573 -3.409 -4.099 1.00 0.00 C ATOM 366 O GLY A 27 0.493 -3.994 -4.078 1.00 0.00 O ATOM 0 H GLY A 27 -1.212 -5.749 -5.182 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.510 -2.879 -5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.594 -3.634 -4.815 1.00 0.00 H new ATOM 370 N GLY A 28 -0.955 -2.536 -3.197 1.00 0.00 N ATOM 371 CA GLY A 28 -0.070 -2.183 -2.043 1.00 0.00 C ATOM 372 C GLY A 28 0.053 -0.664 -1.871 1.00 0.00 C ATOM 373 O GLY A 28 1.014 -0.079 -2.330 1.00 0.00 O ATOM 0 H GLY A 28 -1.851 -2.049 -3.212 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.470 -2.622 -1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.919 -2.614 -2.197 1.00 0.00 H new ATOM 377 N TYR A 29 -0.921 -0.076 -1.218 1.00 0.00 N ATOM 378 CA TYR A 29 -0.933 1.409 -0.975 1.00 0.00 C ATOM 379 C TYR A 29 -1.617 1.694 0.381 1.00 0.00 C ATOM 380 O TYR A 29 -1.986 0.763 1.064 1.00 0.00 O ATOM 381 CB TYR A 29 -1.685 2.102 -2.163 1.00 0.00 C ATOM 382 CG TYR A 29 -3.167 1.701 -2.296 1.00 0.00 C ATOM 383 CD1 TYR A 29 -4.095 2.199 -1.411 1.00 0.00 C ATOM 384 CD2 TYR A 29 -3.599 0.851 -3.293 1.00 0.00 C ATOM 385 CE1 TYR A 29 -5.426 1.871 -1.501 1.00 0.00 C ATOM 386 CE2 TYR A 29 -4.936 0.522 -3.387 1.00 0.00 C ATOM 387 CZ TYR A 29 -5.858 1.026 -2.495 1.00 0.00 C ATOM 388 OH TYR A 29 -7.191 0.686 -2.602 1.00 0.00 O ATOM 0 H TYR A 29 -1.726 -0.570 -0.834 1.00 0.00 H new ATOM 0 HA TYR A 29 0.080 1.808 -0.929 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.623 3.183 -2.036 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.171 1.861 -3.093 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.769 2.865 -0.626 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.891 0.443 -4.000 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.132 2.277 -0.792 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.265 -0.142 -4.173 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.314 0.081 -3.363 1.00 0.00 H new ATOM 398 N CYS A 30 -1.777 2.941 0.755 1.00 0.00 N ATOM 399 CA CYS A 30 -2.437 3.284 2.059 1.00 0.00 C ATOM 400 C CYS A 30 -3.845 3.879 1.860 1.00 0.00 C ATOM 401 O CYS A 30 -4.150 4.471 0.842 1.00 0.00 O ATOM 402 CB CYS A 30 -1.628 4.332 2.819 1.00 0.00 C ATOM 403 SG CYS A 30 0.126 4.100 3.203 1.00 0.00 S ATOM 0 H CYS A 30 -1.475 3.747 0.207 1.00 0.00 H new ATOM 0 HA CYS A 30 -2.499 2.348 2.614 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.705 5.260 2.252 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.138 4.495 3.768 1.00 0.00 H new ATOM 408 N ASN A 31 -4.651 3.702 2.876 1.00 0.00 N ATOM 409 CA ASN A 31 -6.056 4.218 2.852 1.00 0.00 C ATOM 410 C ASN A 31 -6.296 5.151 4.048 1.00 0.00 C ATOM 411 O ASN A 31 -5.588 5.076 5.035 1.00 0.00 O ATOM 412 CB ASN A 31 -7.070 3.035 2.907 1.00 0.00 C ATOM 413 CG ASN A 31 -7.250 2.438 4.314 1.00 0.00 C ATOM 414 OD1 ASN A 31 -8.352 2.113 4.707 1.00 0.00 O ATOM 415 ND2 ASN A 31 -6.236 2.263 5.112 1.00 0.00 N ATOM 0 H ASN A 31 -4.392 3.215 3.734 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.203 4.772 1.925 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.037 3.380 2.542 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.735 2.250 2.229 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.380 1.863 6.039 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.298 2.526 4.810 1.00 0.00 H new ATOM 422 N GLY A 32 -7.308 5.970 3.878 1.00 0.00 N ATOM 423 CA GLY A 32 -7.771 6.995 4.877 1.00 0.00 C ATOM 424 C GLY A 32 -6.927 7.158 6.149 1.00 0.00 C ATOM 425 O GLY A 32 -6.028 7.974 6.166 1.00 0.00 O ATOM 0 H GLY A 32 -7.870 5.968 3.027 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.817 7.961 4.375 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.788 6.742 5.175 1.00 0.00 H new ATOM 429 N LYS A 33 -7.256 6.383 7.155 1.00 0.00 N ATOM 430 CA LYS A 33 -6.543 6.400 8.482 1.00 0.00 C ATOM 431 C LYS A 33 -5.060 6.800 8.407 1.00 0.00 C ATOM 432 O LYS A 33 -4.571 7.598 9.181 1.00 0.00 O ATOM 433 CB LYS A 33 -6.558 5.008 9.177 1.00 0.00 C ATOM 434 CG LYS A 33 -7.877 4.214 9.048 1.00 0.00 C ATOM 435 CD LYS A 33 -7.879 3.418 7.710 1.00 0.00 C ATOM 436 CE LYS A 33 -8.722 2.137 7.873 1.00 0.00 C ATOM 437 NZ LYS A 33 -10.135 2.463 8.216 1.00 0.00 N ATOM 0 H LYS A 33 -8.021 5.710 7.112 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.102 7.150 9.042 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.750 4.406 8.762 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.341 5.148 10.236 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.985 3.530 9.890 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.728 4.895 9.079 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.287 4.034 6.909 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.858 3.161 7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.693 1.559 6.949 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.290 1.511 8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.718 1.605 8.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.181 2.825 9.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.493 3.187 7.561 1.00 0.00 H new ATOM 451 N GLY A 34 -4.416 6.197 7.445 1.00 0.00 N ATOM 452 CA GLY A 34 -2.967 6.403 7.172 1.00 0.00 C ATOM 453 C GLY A 34 -2.336 5.042 7.489 1.00 0.00 C ATOM 454 O GLY A 34 -1.289 4.958 8.101 1.00 0.00 O ATOM 0 H GLY A 34 -4.861 5.537 6.807 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.793 6.693 6.136 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.551 7.192 7.798 1.00 0.00 H new ATOM 458 N VAL A 35 -3.023 4.018 7.042 1.00 0.00 N ATOM 459 CA VAL A 35 -2.577 2.603 7.253 1.00 0.00 C ATOM 460 C VAL A 35 -2.528 1.902 5.890 1.00 0.00 C ATOM 461 O VAL A 35 -3.168 2.346 4.958 1.00 0.00 O ATOM 462 CB VAL A 35 -3.593 1.922 8.221 1.00 0.00 C ATOM 463 CG1 VAL A 35 -3.211 0.442 8.482 1.00 0.00 C ATOM 464 CG2 VAL A 35 -3.573 2.662 9.584 1.00 0.00 C ATOM 0 H VAL A 35 -3.898 4.107 6.526 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.583 2.548 7.696 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.579 1.966 7.759 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.937 -0.007 9.160 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.209 -0.105 7.539 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.219 0.396 8.931 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.282 2.190 10.265 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.571 2.612 10.011 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.852 3.705 9.436 1.00 0.00 H new ATOM 474 N CYS A 36 -1.788 0.823 5.842 1.00 0.00 N ATOM 475 CA CYS A 36 -1.622 0.023 4.587 1.00 0.00 C ATOM 476 C CYS A 36 -2.750 -0.976 4.275 1.00 0.00 C ATOM 477 O CYS A 36 -3.286 -1.632 5.147 1.00 0.00 O ATOM 478 CB CYS A 36 -0.299 -0.740 4.696 1.00 0.00 C ATOM 479 SG CYS A 36 0.033 -2.054 3.495 1.00 0.00 S ATOM 0 H CYS A 36 -1.277 0.452 6.643 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.645 0.737 3.764 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.511 -0.014 4.627 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.249 -1.179 5.692 1.00 0.00 H new ATOM 484 N VAL A 37 -3.058 -1.031 3.002 1.00 0.00 N ATOM 485 CA VAL A 37 -4.113 -1.924 2.441 1.00 0.00 C ATOM 486 C VAL A 37 -3.550 -2.517 1.130 1.00 0.00 C ATOM 487 O VAL A 37 -2.706 -1.916 0.488 1.00 0.00 O ATOM 488 CB VAL A 37 -5.391 -1.074 2.174 1.00 0.00 C ATOM 489 CG1 VAL A 37 -6.509 -1.929 1.544 1.00 0.00 C ATOM 490 CG2 VAL A 37 -5.916 -0.482 3.502 1.00 0.00 C ATOM 0 H VAL A 37 -2.593 -0.461 2.296 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.380 -2.731 3.124 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.119 -0.277 1.482 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.388 -1.308 1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.162 -2.341 0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.769 -2.743 2.220 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.810 0.111 3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.160 -1.292 4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.149 0.152 3.946 1.00 0.00 H new ATOM 500 N CYS A 38 -4.049 -3.671 0.766 1.00 0.00 N ATOM 501 CA CYS A 38 -3.591 -4.354 -0.486 1.00 0.00 C ATOM 502 C CYS A 38 -4.698 -4.172 -1.533 1.00 0.00 C ATOM 503 O CYS A 38 -5.807 -3.824 -1.172 1.00 0.00 O ATOM 504 CB CYS A 38 -3.364 -5.835 -0.166 1.00 0.00 C ATOM 505 SG CYS A 38 -2.231 -6.213 1.196 1.00 0.00 S ATOM 0 H CYS A 38 -4.764 -4.177 1.289 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.659 -3.938 -0.870 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.330 -6.285 0.061 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -2.989 -6.323 -1.065 1.00 0.00 H new ATOM 510 N ARG A 39 -4.403 -4.407 -2.788 1.00 0.00 N ATOM 511 CA ARG A 39 -5.471 -4.227 -3.822 1.00 0.00 C ATOM 512 C ARG A 39 -5.311 -5.179 -5.016 1.00 0.00 C ATOM 513 O ARG A 39 -4.251 -5.721 -5.268 1.00 0.00 O ATOM 514 CB ARG A 39 -5.424 -2.702 -4.225 1.00 0.00 C ATOM 515 CG ARG A 39 -4.908 -2.407 -5.666 1.00 0.00 C ATOM 516 CD ARG A 39 -6.051 -2.587 -6.663 1.00 0.00 C ATOM 517 NE ARG A 39 -6.301 -1.288 -7.355 1.00 0.00 N ATOM 518 CZ ARG A 39 -6.297 -1.238 -8.657 1.00 0.00 C ATOM 519 NH1 ARG A 39 -7.033 -2.092 -9.311 1.00 0.00 N ATOM 520 NH2 ARG A 39 -5.564 -0.340 -9.250 1.00 0.00 N ATOM 0 H ARG A 39 -3.493 -4.708 -3.136 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.452 -4.489 -3.425 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.426 -2.286 -4.124 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.787 -2.175 -3.514 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.518 -1.391 -5.723 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.086 -3.078 -5.914 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.798 -3.359 -7.390 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.952 -2.918 -6.147 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.474 -0.443 -6.811 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.593 -2.777 -8.803 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.049 -2.076 -10.331 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.005 0.309 -8.696 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.548 -0.286 -10.268 1.00 0.00 H new ATOM 534 N ASN A 40 -6.402 -5.352 -5.720 1.00 0.00 N ATOM 535 CA ASN A 40 -6.415 -6.242 -6.918 1.00 0.00 C ATOM 536 C ASN A 40 -7.158 -5.627 -8.122 1.00 0.00 C ATOM 537 O ASN A 40 -7.786 -4.599 -7.937 1.00 0.00 O ATOM 538 CB ASN A 40 -7.062 -7.588 -6.511 1.00 0.00 C ATOM 539 CG ASN A 40 -8.437 -7.365 -5.860 1.00 0.00 C ATOM 540 OD1 ASN A 40 -9.350 -6.848 -6.469 1.00 0.00 O ATOM 541 ND2 ASN A 40 -8.636 -7.740 -4.625 1.00 0.00 N ATOM 542 OXT ASN A 40 -7.056 -6.230 -9.178 1.00 0.00 O ATOM 0 H ASN A 40 -7.296 -4.907 -5.511 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.386 -6.387 -7.247 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.171 -8.224 -7.390 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -6.408 -8.114 -5.816 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.547 -7.596 -4.189 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.881 -8.177 -4.097 1.00 0.00 H new