USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 247 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 8 GLN : amide:sc= -1.69 K(o=-1.7,f=-6.5!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.641 K(o=-0.64,f=-1.8) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 15 GLN : amide:sc= -0.395 K(o=-0.4,f=-3.1!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -2.25 K(o=-2.3,f=-3.4!) USER MOD Single : A 28 ASN : amide:sc= 0.147 K(o=0.15,f=-14!) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N CYS A 3 -1.705 -9.239 3.521 1.00 0.00 N ATOM 22 CA CYS A 3 -1.530 -8.228 2.487 1.00 0.00 C ATOM 23 C CYS A 3 -2.168 -6.910 2.909 1.00 0.00 C ATOM 24 O CYS A 3 -2.918 -6.855 3.884 1.00 0.00 O ATOM 25 CB CYS A 3 -2.134 -8.703 1.162 1.00 0.00 C ATOM 26 SG CYS A 3 -3.914 -9.091 1.241 1.00 0.00 S ATOM 0 HA CYS A 3 -0.461 -8.068 2.348 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.976 -7.932 0.408 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.596 -9.590 0.829 1.00 0.00 H new ATOM 31 N VAL A 4 -1.866 -5.853 2.167 1.00 0.00 N ATOM 32 CA VAL A 4 -2.404 -4.536 2.456 1.00 0.00 C ATOM 33 C VAL A 4 -3.744 -4.333 1.742 1.00 0.00 C ATOM 34 O VAL A 4 -3.849 -4.586 0.546 1.00 0.00 O ATOM 35 CB VAL A 4 -1.411 -3.445 2.018 1.00 0.00 C ATOM 36 CG1 VAL A 4 -1.967 -2.055 2.289 1.00 0.00 C ATOM 37 CG2 VAL A 4 -0.080 -3.647 2.722 1.00 0.00 C ATOM 0 H VAL A 4 -1.247 -5.886 1.357 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.564 -4.462 3.532 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.255 -3.528 0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.243 -1.305 1.969 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.897 -1.921 1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.160 -1.942 3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.619 -2.872 2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.226 -3.589 3.801 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.324 -4.626 2.463 1.00 0.00 H new ATOM 47 N PRO A 5 -4.791 -3.867 2.450 1.00 0.00 N ATOM 48 CA PRO A 5 -6.099 -3.645 1.834 1.00 0.00 C ATOM 49 C PRO A 5 -6.063 -2.512 0.813 1.00 0.00 C ATOM 50 O PRO A 5 -5.465 -1.456 1.051 1.00 0.00 O ATOM 51 CB PRO A 5 -7.015 -3.278 3.012 1.00 0.00 C ATOM 52 CG PRO A 5 -6.247 -3.629 4.243 1.00 0.00 C ATOM 53 CD PRO A 5 -4.796 -3.514 3.878 1.00 0.00 C ATOM 0 HA PRO A 5 -6.439 -4.523 1.285 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -7.267 -2.218 2.997 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -7.954 -3.830 2.965 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -6.497 -2.956 5.063 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -6.486 -4.639 4.576 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.415 -2.507 4.047 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.176 -4.192 4.465 1.00 0.00 H new ATOM 61 N VAL A 6 -6.718 -2.724 -0.325 1.00 0.00 N ATOM 62 CA VAL A 6 -6.763 -1.718 -1.366 1.00 0.00 C ATOM 63 C VAL A 6 -7.372 -0.438 -0.827 1.00 0.00 C ATOM 64 O VAL A 6 -8.185 -0.467 0.095 1.00 0.00 O ATOM 65 CB VAL A 6 -7.551 -2.217 -2.591 1.00 0.00 C ATOM 66 CG1 VAL A 6 -7.620 -1.151 -3.673 1.00 0.00 C ATOM 67 CG2 VAL A 6 -6.909 -3.480 -3.132 1.00 0.00 C ATOM 0 H VAL A 6 -7.222 -3.583 -0.544 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.742 -1.516 -1.688 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.572 -2.438 -2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.183 -1.533 -4.525 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.116 -0.264 -3.279 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.611 -0.891 -3.992 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.469 -3.830 -3.999 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.881 -3.268 -3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.915 -4.250 -2.361 1.00 0.00 H new ATOM 77 N ASP A 7 -6.937 0.684 -1.381 1.00 0.00 N ATOM 78 CA ASP A 7 -7.387 1.992 -0.947 1.00 0.00 C ATOM 79 C ASP A 7 -6.763 2.360 0.402 1.00 0.00 C ATOM 80 O ASP A 7 -7.096 3.398 0.976 1.00 0.00 O ATOM 81 CB ASP A 7 -8.913 2.051 -0.866 1.00 0.00 C ATOM 82 CG ASP A 7 -9.581 1.540 -2.127 1.00 0.00 C ATOM 83 OD1 ASP A 7 -9.539 2.253 -3.152 1.00 0.00 O ATOM 84 OD2 ASP A 7 -10.144 0.426 -2.091 1.00 0.00 O ATOM 0 H ASP A 7 -6.261 0.710 -2.145 1.00 0.00 H new ATOM 0 HA ASP A 7 -7.060 2.721 -1.689 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.252 1.461 -0.015 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -9.225 3.080 -0.685 1.00 0.00 H new ATOM 89 N GLN A 8 -5.843 1.521 0.908 1.00 0.00 N ATOM 90 CA GLN A 8 -5.187 1.801 2.174 1.00 0.00 C ATOM 91 C GLN A 8 -3.693 2.031 1.954 1.00 0.00 C ATOM 92 O GLN A 8 -3.131 1.564 0.964 1.00 0.00 O ATOM 93 CB GLN A 8 -5.405 0.657 3.164 1.00 0.00 C ATOM 94 CG GLN A 8 -6.856 0.222 3.278 1.00 0.00 C ATOM 95 CD GLN A 8 -7.783 1.371 3.622 1.00 0.00 C ATOM 96 OE1 GLN A 8 -8.272 2.076 2.739 1.00 0.00 O ATOM 97 NE2 GLN A 8 -8.031 1.567 4.912 1.00 0.00 N ATOM 0 H GLN A 8 -5.547 0.655 0.457 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.626 2.706 2.595 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -4.801 -0.197 2.858 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.048 0.965 4.147 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.172 -0.226 2.336 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.941 -0.550 4.043 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.605 0.959 5.611 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.648 2.325 5.203 1.00 0.00 H new ATOM 106 N PRO A 9 -3.027 2.768 2.862 1.00 0.00 N ATOM 107 CA PRO A 9 -1.600 3.060 2.728 1.00 0.00 C ATOM 108 C PRO A 9 -0.716 1.828 2.858 1.00 0.00 C ATOM 109 O PRO A 9 -0.963 0.945 3.679 1.00 0.00 O ATOM 110 CB PRO A 9 -1.311 4.037 3.866 1.00 0.00 C ATOM 111 CG PRO A 9 -2.408 3.827 4.853 1.00 0.00 C ATOM 112 CD PRO A 9 -3.611 3.388 4.067 1.00 0.00 C ATOM 0 HA PRO A 9 -1.379 3.457 1.737 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.336 3.842 4.314 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.297 5.066 3.507 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.129 3.073 5.589 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.617 4.745 5.402 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.220 2.679 4.628 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.254 4.231 3.813 1.00 0.00 H new ATOM 120 N CYS A 10 0.327 1.797 2.041 1.00 0.00 N ATOM 121 CA CYS A 10 1.285 0.700 2.046 1.00 0.00 C ATOM 122 C CYS A 10 2.709 1.237 2.120 1.00 0.00 C ATOM 123 O CYS A 10 2.926 2.445 2.201 1.00 0.00 O ATOM 124 CB CYS A 10 1.119 -0.163 0.794 1.00 0.00 C ATOM 125 SG CYS A 10 0.948 0.790 -0.749 1.00 0.00 S ATOM 0 H CYS A 10 0.533 2.527 1.359 1.00 0.00 H new ATOM 0 HA CYS A 10 1.094 0.085 2.925 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.980 -0.826 0.706 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.241 -0.797 0.916 1.00 0.00 H new ATOM 130 N SER A 11 3.675 0.330 2.087 1.00 0.00 N ATOM 131 CA SER A 11 5.082 0.706 2.147 1.00 0.00 C ATOM 132 C SER A 11 5.913 -0.147 1.192 1.00 0.00 C ATOM 133 O SER A 11 5.501 -1.241 0.805 1.00 0.00 O ATOM 134 CB SER A 11 5.612 0.561 3.576 1.00 0.00 C ATOM 135 OG SER A 11 6.470 1.637 3.914 1.00 0.00 O ATOM 0 H SER A 11 3.510 -0.674 2.019 1.00 0.00 H new ATOM 0 HA SER A 11 5.167 1.749 1.842 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.776 0.525 4.275 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.150 -0.382 3.674 1.00 0.00 H new ATOM 0 HG SER A 11 6.793 1.522 4.832 1.00 0.00 H new ATOM 141 N LEU A 12 7.082 0.360 0.816 1.00 0.00 N ATOM 142 CA LEU A 12 7.967 -0.361 -0.095 1.00 0.00 C ATOM 143 C LEU A 12 8.695 -1.505 0.613 1.00 0.00 C ATOM 144 O LEU A 12 9.223 -2.407 -0.038 1.00 0.00 O ATOM 145 CB LEU A 12 8.986 0.591 -0.736 1.00 0.00 C ATOM 146 CG LEU A 12 9.620 1.624 0.203 1.00 0.00 C ATOM 147 CD1 LEU A 12 10.236 0.949 1.418 1.00 0.00 C ATOM 148 CD2 LEU A 12 10.668 2.434 -0.542 1.00 0.00 C ATOM 0 H LEU A 12 7.439 1.264 1.126 1.00 0.00 H new ATOM 0 HA LEU A 12 7.342 -0.790 -0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.783 -0.006 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.495 1.123 -1.551 1.00 0.00 H new ATOM 0 HG LEU A 12 8.836 2.297 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.679 1.704 2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.463 0.408 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 12 11.008 0.251 1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.112 3.165 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.445 1.767 -0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 12 10.200 2.952 -1.379 1.00 0.00 H new ATOM 160 N ASN A 13 8.724 -1.470 1.946 1.00 0.00 N ATOM 161 CA ASN A 13 9.389 -2.510 2.722 1.00 0.00 C ATOM 162 C ASN A 13 8.387 -3.380 3.487 1.00 0.00 C ATOM 163 O ASN A 13 8.779 -4.177 4.338 1.00 0.00 O ATOM 164 CB ASN A 13 10.382 -1.881 3.702 1.00 0.00 C ATOM 165 CG ASN A 13 9.747 -0.793 4.546 1.00 0.00 C ATOM 166 OD1 ASN A 13 8.782 -1.036 5.271 1.00 0.00 O ATOM 167 ND2 ASN A 13 10.289 0.416 4.457 1.00 0.00 N ATOM 0 H ASN A 13 8.295 -0.734 2.507 1.00 0.00 H new ATOM 0 HA ASN A 13 9.922 -3.152 2.021 1.00 0.00 H new ATOM 0 HB2 ASN A 13 10.785 -2.655 4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.222 -1.463 3.147 1.00 0.00 H new ATOM 0 HD21 ASN A 13 9.906 1.188 5.003 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.088 0.573 3.843 1.00 0.00 H new ATOM 174 N THR A 14 7.097 -3.229 3.187 1.00 0.00 N ATOM 175 CA THR A 14 6.064 -4.007 3.857 1.00 0.00 C ATOM 176 C THR A 14 5.449 -5.028 2.905 1.00 0.00 C ATOM 177 O THR A 14 5.898 -5.183 1.769 1.00 0.00 O ATOM 178 CB THR A 14 4.977 -3.082 4.407 1.00 0.00 C ATOM 179 OG1 THR A 14 4.333 -2.385 3.355 1.00 0.00 O ATOM 180 CG2 THR A 14 5.505 -2.053 5.383 1.00 0.00 C ATOM 0 H THR A 14 6.747 -2.576 2.486 1.00 0.00 H new ATOM 0 HA THR A 14 6.526 -4.544 4.685 1.00 0.00 H new ATOM 0 HB THR A 14 4.281 -3.735 4.933 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.640 -1.800 3.726 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.683 -1.430 5.735 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.966 -2.559 6.231 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.247 -1.428 4.887 1.00 0.00 H new ATOM 188 N GLN A 15 4.421 -5.724 3.377 1.00 0.00 N ATOM 189 CA GLN A 15 3.742 -6.733 2.573 1.00 0.00 C ATOM 190 C GLN A 15 3.040 -6.097 1.373 1.00 0.00 C ATOM 191 O GLN A 15 2.687 -4.918 1.409 1.00 0.00 O ATOM 192 CB GLN A 15 2.720 -7.491 3.425 1.00 0.00 C ATOM 193 CG GLN A 15 3.210 -7.829 4.827 1.00 0.00 C ATOM 194 CD GLN A 15 2.343 -7.231 5.922 1.00 0.00 C ATOM 195 OE1 GLN A 15 1.298 -6.640 5.652 1.00 0.00 O ATOM 196 NE2 GLN A 15 2.775 -7.384 7.167 1.00 0.00 N ATOM 0 H GLN A 15 4.039 -5.607 4.315 1.00 0.00 H new ATOM 0 HA GLN A 15 4.494 -7.431 2.205 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.812 -6.892 3.503 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.450 -8.415 2.913 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.237 -8.912 4.944 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.232 -7.470 4.944 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.647 -7.881 7.347 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.235 -7.005 7.945 1.00 0.00 H new ATOM 205 N PRO A 16 2.815 -6.870 0.290 1.00 0.00 N ATOM 206 CA PRO A 16 2.139 -6.360 -0.908 1.00 0.00 C ATOM 207 C PRO A 16 0.685 -6.002 -0.625 1.00 0.00 C ATOM 208 O PRO A 16 0.224 -6.104 0.510 1.00 0.00 O ATOM 209 CB PRO A 16 2.222 -7.525 -1.898 1.00 0.00 C ATOM 210 CG PRO A 16 2.391 -8.737 -1.049 1.00 0.00 C ATOM 211 CD PRO A 16 3.184 -8.293 0.148 1.00 0.00 C ATOM 0 HA PRO A 16 2.599 -5.445 -1.281 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.320 -7.591 -2.507 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.061 -7.402 -2.583 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.424 -9.142 -0.749 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.912 -9.525 -1.592 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.925 -8.867 1.038 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.255 -8.417 -0.010 1.00 0.00 H new ATOM 219 N CYS A 17 -0.035 -5.583 -1.660 1.00 0.00 N ATOM 220 CA CYS A 17 -1.435 -5.213 -1.508 1.00 0.00 C ATOM 221 C CYS A 17 -2.347 -6.422 -1.688 1.00 0.00 C ATOM 222 O CYS A 17 -1.888 -7.524 -1.988 1.00 0.00 O ATOM 223 CB CYS A 17 -1.813 -4.116 -2.504 1.00 0.00 C ATOM 224 SG CYS A 17 -0.787 -2.614 -2.384 1.00 0.00 S ATOM 0 H CYS A 17 0.327 -5.492 -2.609 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.570 -4.831 -0.496 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.735 -4.516 -3.515 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.857 -3.843 -2.348 1.00 0.00 H new ATOM 229 N CYS A 18 -3.639 -6.202 -1.490 1.00 0.00 N ATOM 230 CA CYS A 18 -4.635 -7.257 -1.614 1.00 0.00 C ATOM 231 C CYS A 18 -5.401 -7.127 -2.926 1.00 0.00 C ATOM 232 O CYS A 18 -5.332 -6.098 -3.597 1.00 0.00 O ATOM 233 CB CYS A 18 -5.611 -7.198 -0.436 1.00 0.00 C ATOM 234 SG CYS A 18 -4.814 -7.271 1.202 1.00 0.00 S ATOM 0 H CYS A 18 -4.025 -5.292 -1.240 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.119 -8.217 -1.607 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.190 -6.277 -0.505 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.316 -8.025 -0.521 1.00 0.00 H new ATOM 239 N ASP A 19 -6.129 -8.177 -3.288 1.00 0.00 N ATOM 240 CA ASP A 19 -6.910 -8.184 -4.523 1.00 0.00 C ATOM 241 C ASP A 19 -6.033 -7.863 -5.732 1.00 0.00 C ATOM 242 O ASP A 19 -6.497 -7.284 -6.714 1.00 0.00 O ATOM 243 CB ASP A 19 -8.058 -7.176 -4.431 1.00 0.00 C ATOM 244 CG ASP A 19 -9.185 -7.663 -3.541 1.00 0.00 C ATOM 245 OD1 ASP A 19 -9.642 -8.808 -3.734 1.00 0.00 O ATOM 246 OD2 ASP A 19 -9.610 -6.897 -2.650 1.00 0.00 O ATOM 0 H ASP A 19 -6.196 -9.037 -2.744 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.321 -9.185 -4.654 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.677 -6.230 -4.046 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.447 -6.980 -5.430 1.00 0.00 H new ATOM 251 N ASP A 20 -4.761 -8.242 -5.648 1.00 0.00 N ATOM 252 CA ASP A 20 -3.810 -7.997 -6.728 1.00 0.00 C ATOM 253 C ASP A 20 -3.582 -6.502 -6.929 1.00 0.00 C ATOM 254 O ASP A 20 -3.410 -6.037 -8.056 1.00 0.00 O ATOM 255 CB ASP A 20 -4.298 -8.633 -8.031 1.00 0.00 C ATOM 256 CG ASP A 20 -3.203 -8.723 -9.077 1.00 0.00 C ATOM 257 OD1 ASP A 20 -2.235 -9.480 -8.858 1.00 0.00 O ATOM 258 OD2 ASP A 20 -3.314 -8.035 -10.114 1.00 0.00 O ATOM 0 H ASP A 20 -4.364 -8.722 -4.840 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.862 -8.455 -6.447 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.681 -9.632 -7.823 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.129 -8.049 -8.428 1.00 0.00 H new ATOM 263 N ALA A 21 -3.576 -5.757 -5.830 1.00 0.00 N ATOM 264 CA ALA A 21 -3.360 -4.316 -5.888 1.00 0.00 C ATOM 265 C ALA A 21 -1.878 -3.994 -6.028 1.00 0.00 C ATOM 266 O ALA A 21 -1.034 -4.889 -6.017 1.00 0.00 O ATOM 267 CB ALA A 21 -3.933 -3.637 -4.650 1.00 0.00 C ATOM 0 H ALA A 21 -3.718 -6.126 -4.890 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.879 -3.933 -6.767 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.762 -2.562 -4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.004 -3.831 -4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.444 -4.031 -3.759 1.00 0.00 H new ATOM 273 N THR A 22 -1.570 -2.710 -6.155 1.00 0.00 N ATOM 274 CA THR A 22 -0.192 -2.266 -6.293 1.00 0.00 C ATOM 275 C THR A 22 0.060 -1.023 -5.448 1.00 0.00 C ATOM 276 O THR A 22 -0.788 -0.132 -5.367 1.00 0.00 O ATOM 277 CB THR A 22 0.120 -1.974 -7.761 1.00 0.00 C ATOM 278 OG1 THR A 22 -0.112 -3.119 -8.562 1.00 0.00 O ATOM 279 CG2 THR A 22 1.549 -1.536 -7.992 1.00 0.00 C ATOM 0 H THR A 22 -2.258 -1.957 -6.165 1.00 0.00 H new ATOM 0 HA THR A 22 0.464 -3.062 -5.940 1.00 0.00 H new ATOM 0 HB THR A 22 -0.545 -1.156 -8.040 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.092 -2.911 -9.498 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.704 -1.345 -9.054 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.746 -0.625 -7.427 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.228 -2.322 -7.662 1.00 0.00 H new ATOM 287 N CYS A 23 1.230 -0.967 -4.820 1.00 0.00 N ATOM 288 CA CYS A 23 1.593 0.170 -3.984 1.00 0.00 C ATOM 289 C CYS A 23 2.056 1.329 -4.865 1.00 0.00 C ATOM 290 O CYS A 23 3.090 1.242 -5.526 1.00 0.00 O ATOM 291 CB CYS A 23 2.698 -0.236 -3.004 1.00 0.00 C ATOM 292 SG CYS A 23 2.822 0.829 -1.530 1.00 0.00 S ATOM 0 H CYS A 23 1.942 -1.695 -4.874 1.00 0.00 H new ATOM 0 HA CYS A 23 0.723 0.492 -3.411 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.523 -1.263 -2.682 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.654 -0.225 -3.528 1.00 0.00 H new ATOM 297 N THR A 24 1.270 2.404 -4.893 1.00 0.00 N ATOM 298 CA THR A 24 1.586 3.561 -5.718 1.00 0.00 C ATOM 299 C THR A 24 1.760 4.827 -4.882 1.00 0.00 C ATOM 300 O THR A 24 1.226 4.948 -3.780 1.00 0.00 O ATOM 301 CB THR A 24 0.482 3.773 -6.764 1.00 0.00 C ATOM 302 OG1 THR A 24 0.465 2.705 -7.694 1.00 0.00 O ATOM 303 CG2 THR A 24 0.622 5.062 -7.551 1.00 0.00 C ATOM 0 H THR A 24 0.410 2.495 -4.352 1.00 0.00 H new ATOM 0 HA THR A 24 2.534 3.362 -6.217 1.00 0.00 H new ATOM 0 HB THR A 24 -0.444 3.822 -6.191 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.245 2.856 -8.352 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.194 5.140 -8.269 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.587 5.911 -6.868 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.574 5.063 -8.082 1.00 0.00 H new ATOM 311 N GLN A 25 2.499 5.771 -5.449 1.00 0.00 N ATOM 312 CA GLN A 25 2.751 7.053 -4.815 1.00 0.00 C ATOM 313 C GLN A 25 1.510 7.938 -4.909 1.00 0.00 C ATOM 314 O GLN A 25 0.875 8.030 -5.960 1.00 0.00 O ATOM 315 CB GLN A 25 3.948 7.733 -5.490 1.00 0.00 C ATOM 316 CG GLN A 25 4.189 9.156 -5.019 1.00 0.00 C ATOM 317 CD GLN A 25 5.566 9.671 -5.391 1.00 0.00 C ATOM 318 OE1 GLN A 25 6.565 9.308 -4.772 1.00 0.00 O ATOM 319 NE2 GLN A 25 5.624 10.525 -6.407 1.00 0.00 N ATOM 0 H GLN A 25 2.940 5.667 -6.363 1.00 0.00 H new ATOM 0 HA GLN A 25 2.982 6.896 -3.761 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.844 7.141 -5.302 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.790 7.739 -6.569 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.432 9.810 -5.451 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.069 9.201 -3.937 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.770 10.799 -6.892 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.523 10.907 -6.702 1.00 0.00 H new ATOM 328 N GLU A 26 1.176 8.585 -3.803 1.00 0.00 N ATOM 329 CA GLU A 26 0.016 9.465 -3.747 1.00 0.00 C ATOM 330 C GLU A 26 0.230 10.573 -2.722 1.00 0.00 C ATOM 331 O GLU A 26 1.291 10.666 -2.105 1.00 0.00 O ATOM 332 CB GLU A 26 -1.239 8.664 -3.400 1.00 0.00 C ATOM 333 CG GLU A 26 -1.499 7.503 -4.347 1.00 0.00 C ATOM 334 CD GLU A 26 -2.812 6.802 -4.063 1.00 0.00 C ATOM 335 OE1 GLU A 26 -3.700 7.427 -3.446 1.00 0.00 O ATOM 336 OE2 GLU A 26 -2.953 5.624 -4.458 1.00 0.00 O ATOM 0 H GLU A 26 1.694 8.517 -2.927 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.116 9.922 -4.728 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.146 8.280 -2.384 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.101 9.331 -3.411 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.502 7.870 -5.373 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.683 6.784 -4.268 1.00 0.00 H new ATOM 343 N ARG A 27 -0.782 11.414 -2.548 1.00 0.00 N ATOM 344 CA ARG A 27 -0.704 12.520 -1.600 1.00 0.00 C ATOM 345 C ARG A 27 -1.720 12.347 -0.476 1.00 0.00 C ATOM 346 O ARG A 27 -2.819 11.836 -0.691 1.00 0.00 O ATOM 347 CB ARG A 27 -0.940 13.849 -2.318 1.00 0.00 C ATOM 348 CG ARG A 27 0.263 14.332 -3.113 1.00 0.00 C ATOM 349 CD ARG A 27 0.405 15.845 -3.045 1.00 0.00 C ATOM 350 NE ARG A 27 1.800 16.268 -3.152 1.00 0.00 N ATOM 351 CZ ARG A 27 2.533 16.156 -4.260 1.00 0.00 C ATOM 352 NH1 ARG A 27 2.014 15.633 -5.366 1.00 0.00 N ATOM 353 NH2 ARG A 27 3.793 16.570 -4.263 1.00 0.00 N ATOM 0 H ARG A 27 -1.667 11.352 -3.051 1.00 0.00 H new ATOM 0 HA ARG A 27 0.295 12.523 -1.163 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.791 13.743 -2.991 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.208 14.608 -1.582 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.168 13.863 -2.727 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.162 14.021 -4.153 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.175 16.300 -3.848 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.013 16.207 -2.105 1.00 0.00 H new ATOM 0 HE ARG A 27 2.241 16.675 -2.327 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.046 15.312 -5.373 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.584 15.552 -6.208 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.199 16.973 -3.419 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.356 16.485 -5.110 1.00 0.00 H new ATOM 367 N ASN A 28 -1.345 12.778 0.725 1.00 0.00 N ATOM 368 CA ASN A 28 -2.225 12.670 1.883 1.00 0.00 C ATOM 369 C ASN A 28 -2.868 14.015 2.204 1.00 0.00 C ATOM 370 O ASN A 28 -2.680 14.994 1.482 1.00 0.00 O ATOM 371 CB ASN A 28 -1.446 12.157 3.096 1.00 0.00 C ATOM 372 CG ASN A 28 -0.344 13.106 3.524 1.00 0.00 C ATOM 373 OD1 ASN A 28 -0.016 14.057 2.814 1.00 0.00 O ATOM 374 ND2 ASN A 28 0.235 12.852 4.692 1.00 0.00 N ATOM 0 H ASN A 28 -0.439 13.204 0.921 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.016 11.959 1.643 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.134 12.006 3.928 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.012 11.185 2.860 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.983 13.456 5.033 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.068 12.053 5.248 1.00 0.00 H new ATOM 381 N GLU A 29 -3.629 14.056 3.293 1.00 0.00 N ATOM 382 CA GLU A 29 -4.299 15.282 3.712 1.00 0.00 C ATOM 383 C GLU A 29 -3.286 16.387 3.990 1.00 0.00 C ATOM 384 O GLU A 29 -3.569 17.568 3.786 1.00 0.00 O ATOM 385 CB GLU A 29 -5.146 15.024 4.959 1.00 0.00 C ATOM 386 CG GLU A 29 -6.542 14.508 4.649 1.00 0.00 C ATOM 387 CD GLU A 29 -7.598 15.593 4.739 1.00 0.00 C ATOM 388 OE1 GLU A 29 -7.598 16.339 5.741 1.00 0.00 O ATOM 389 OE2 GLU A 29 -8.423 15.696 3.807 1.00 0.00 O ATOM 0 H GLU A 29 -3.797 13.255 3.901 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.950 15.607 2.900 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.633 14.301 5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.228 15.949 5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.552 14.078 3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.791 13.705 5.343 1.00 0.00 H new ATOM 396 N ASN A 30 -2.106 15.996 4.459 1.00 0.00 N ATOM 397 CA ASN A 30 -1.050 16.954 4.765 1.00 0.00 C ATOM 398 C ASN A 30 -0.390 17.467 3.489 1.00 0.00 C ATOM 399 O ASN A 30 0.101 18.595 3.445 1.00 0.00 O ATOM 400 CB ASN A 30 0.000 16.313 5.674 1.00 0.00 C ATOM 401 CG ASN A 30 -0.584 15.847 6.994 1.00 0.00 C ATOM 402 OD1 ASN A 30 -1.576 16.395 7.474 1.00 0.00 O ATOM 403 ND2 ASN A 30 0.030 14.831 7.587 1.00 0.00 N ATOM 0 H ASN A 30 -1.857 15.023 4.635 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.502 17.800 5.282 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.452 15.465 5.160 1.00 0.00 H new ATOM 0 HB3 ASN A 30 0.797 17.031 5.866 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.318 14.474 8.477 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.850 14.407 7.153 1.00 0.00 H new ATOM 410 N GLY A 31 -0.382 16.636 2.451 1.00 0.00 N ATOM 411 CA GLY A 31 0.221 17.030 1.191 1.00 0.00 C ATOM 412 C GLY A 31 1.556 16.350 0.923 1.00 0.00 C ATOM 413 O GLY A 31 2.157 16.559 -0.130 1.00 0.00 O ATOM 0 H GLY A 31 -0.782 15.698 2.460 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.467 16.797 0.378 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.364 18.111 1.187 1.00 0.00 H new ATOM 417 N HIS A 32 2.027 15.538 1.869 1.00 0.00 N ATOM 418 CA HIS A 32 3.297 14.840 1.708 1.00 0.00 C ATOM 419 C HIS A 32 3.120 13.585 0.861 1.00 0.00 C ATOM 420 O HIS A 32 2.042 12.994 0.831 1.00 0.00 O ATOM 421 CB HIS A 32 3.877 14.470 3.074 1.00 0.00 C ATOM 422 CG HIS A 32 5.370 14.368 3.082 1.00 0.00 C ATOM 423 ND1 HIS A 32 6.043 13.178 3.269 1.00 0.00 N ATOM 424 CD2 HIS A 32 6.325 15.316 2.923 1.00 0.00 C ATOM 425 CE1 HIS A 32 7.345 13.399 3.226 1.00 0.00 C ATOM 426 NE2 HIS A 32 7.542 14.688 3.016 1.00 0.00 N ATOM 0 H HIS A 32 1.549 15.349 2.750 1.00 0.00 H new ATOM 0 HA HIS A 32 3.990 15.509 1.197 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.568 15.217 3.805 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.454 13.517 3.393 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.159 16.370 2.754 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.117 12.653 3.343 1.00 0.00 H new ATOM 0 HE2 HIS A 32 8.451 15.143 2.936 1.00 0.00 H new ATOM 435 N THR A 33 4.184 13.184 0.174 1.00 0.00 N ATOM 436 CA THR A 33 4.139 11.999 -0.672 1.00 0.00 C ATOM 437 C THR A 33 3.993 10.735 0.168 1.00 0.00 C ATOM 438 O THR A 33 4.732 10.526 1.131 1.00 0.00 O ATOM 439 CB THR A 33 5.398 11.905 -1.537 1.00 0.00 C ATOM 440 OG1 THR A 33 5.559 13.078 -2.314 1.00 0.00 O ATOM 441 CG2 THR A 33 5.385 10.723 -2.484 1.00 0.00 C ATOM 0 H THR A 33 5.085 13.661 0.187 1.00 0.00 H new ATOM 0 HA THR A 33 3.269 12.087 -1.322 1.00 0.00 H new ATOM 0 HB THR A 33 6.224 11.779 -0.837 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.370 13.001 -2.859 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.305 10.714 -3.068 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.310 9.799 -1.911 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.530 10.804 -3.155 1.00 0.00 H new ATOM 449 N VAL A 34 3.035 9.896 -0.205 1.00 0.00 N ATOM 450 CA VAL A 34 2.786 8.649 0.505 1.00 0.00 C ATOM 451 C VAL A 34 2.566 7.507 -0.477 1.00 0.00 C ATOM 452 O VAL A 34 2.496 7.719 -1.684 1.00 0.00 O ATOM 453 CB VAL A 34 1.559 8.765 1.428 1.00 0.00 C ATOM 454 CG1 VAL A 34 1.835 9.737 2.564 1.00 0.00 C ATOM 455 CG2 VAL A 34 0.332 9.193 0.637 1.00 0.00 C ATOM 0 H VAL A 34 2.415 10.058 -0.999 1.00 0.00 H new ATOM 0 HA VAL A 34 3.666 8.442 1.114 1.00 0.00 H new ATOM 0 HB VAL A 34 1.360 7.784 1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.956 9.806 3.206 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.684 9.382 3.148 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.063 10.721 2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.524 9.269 1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.518 10.162 0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.122 8.455 -0.137 1.00 0.00 H new ATOM 465 N TYR A 35 2.458 6.295 0.048 1.00 0.00 N ATOM 466 CA TYR A 35 2.243 5.118 -0.787 1.00 0.00 C ATOM 467 C TYR A 35 0.925 4.440 -0.427 1.00 0.00 C ATOM 468 O TYR A 35 0.688 4.109 0.734 1.00 0.00 O ATOM 469 CB TYR A 35 3.402 4.130 -0.629 1.00 0.00 C ATOM 470 CG TYR A 35 4.766 4.786 -0.608 1.00 0.00 C ATOM 471 CD1 TYR A 35 5.275 5.413 -1.738 1.00 0.00 C ATOM 472 CD2 TYR A 35 5.544 4.778 0.544 1.00 0.00 C ATOM 473 CE1 TYR A 35 6.519 6.013 -1.722 1.00 0.00 C ATOM 474 CE2 TYR A 35 6.789 5.376 0.567 1.00 0.00 C ATOM 475 CZ TYR A 35 7.273 5.992 -0.568 1.00 0.00 C ATOM 476 OH TYR A 35 8.513 6.587 -0.548 1.00 0.00 O ATOM 0 H TYR A 35 2.515 6.099 1.047 1.00 0.00 H new ATOM 0 HA TYR A 35 2.197 5.441 -1.827 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.265 3.569 0.295 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.368 3.411 -1.447 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.688 5.432 -2.644 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.169 4.297 1.435 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.899 6.497 -2.610 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.381 5.361 1.470 1.00 0.00 H new ATOM 0 HH TYR A 35 8.911 6.483 0.341 1.00 0.00 H new ATOM 486 N TYR A 36 0.065 4.248 -1.424 1.00 0.00 N ATOM 487 CA TYR A 36 -1.234 3.619 -1.198 1.00 0.00 C ATOM 488 C TYR A 36 -1.424 2.393 -2.085 1.00 0.00 C ATOM 489 O TYR A 36 -0.677 2.180 -3.041 1.00 0.00 O ATOM 490 CB TYR A 36 -2.359 4.624 -1.453 1.00 0.00 C ATOM 491 CG TYR A 36 -2.771 5.398 -0.221 1.00 0.00 C ATOM 492 CD1 TYR A 36 -1.860 6.196 0.458 1.00 0.00 C ATOM 493 CD2 TYR A 36 -4.071 5.328 0.264 1.00 0.00 C ATOM 494 CE1 TYR A 36 -2.233 6.904 1.586 1.00 0.00 C ATOM 495 CE2 TYR A 36 -4.452 6.033 1.389 1.00 0.00 C ATOM 496 CZ TYR A 36 -3.530 6.819 2.047 1.00 0.00 C ATOM 497 OH TYR A 36 -3.904 7.522 3.169 1.00 0.00 O ATOM 0 H TYR A 36 0.242 4.517 -2.392 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.268 3.293 -0.159 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.040 5.326 -2.223 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.227 4.094 -1.845 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.844 6.265 0.099 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.796 4.712 -0.247 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.512 7.520 2.103 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.467 5.969 1.751 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.851 7.354 3.360 1.00 0.00 H new ATOM 507 N CYS A 37 -2.431 1.590 -1.756 1.00 0.00 N ATOM 508 CA CYS A 37 -2.730 0.375 -2.513 1.00 0.00 C ATOM 509 C CYS A 37 -3.893 0.606 -3.472 1.00 0.00 C ATOM 510 O CYS A 37 -4.922 1.166 -3.096 1.00 0.00 O ATOM 511 CB CYS A 37 -3.066 -0.779 -1.563 1.00 0.00 C ATOM 512 SG CYS A 37 -1.605 -1.586 -0.834 1.00 0.00 S ATOM 0 H CYS A 37 -3.057 1.758 -0.968 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.844 0.114 -3.093 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.699 -0.402 -0.760 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.648 -1.525 -2.105 1.00 0.00 H new ATOM 517 N ARG A 38 -3.715 0.174 -4.717 1.00 0.00 N ATOM 518 CA ARG A 38 -4.741 0.334 -5.738 1.00 0.00 C ATOM 519 C ARG A 38 -5.005 -0.986 -6.450 1.00 0.00 C ATOM 520 O ARG A 38 -4.083 -1.626 -6.958 1.00 0.00 O ATOM 521 CB ARG A 38 -4.317 1.397 -6.752 1.00 0.00 C ATOM 522 CG ARG A 38 -4.023 2.750 -6.127 1.00 0.00 C ATOM 523 CD ARG A 38 -5.279 3.375 -5.544 1.00 0.00 C ATOM 524 NE ARG A 38 -5.222 4.836 -5.563 1.00 0.00 N ATOM 525 CZ ARG A 38 -6.158 5.627 -5.035 1.00 0.00 C ATOM 526 NH1 ARG A 38 -7.231 5.109 -4.449 1.00 0.00 N ATOM 527 NH2 ARG A 38 -6.018 6.945 -5.094 1.00 0.00 N ATOM 0 H ARG A 38 -2.867 -0.290 -5.042 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.661 0.654 -5.249 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.429 1.050 -7.280 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.106 1.513 -7.496 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.274 2.636 -5.343 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.599 3.415 -6.879 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.148 3.038 -6.110 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.413 3.030 -4.519 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.417 5.278 -6.007 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.346 4.097 -4.399 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.940 5.723 -4.049 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.197 7.351 -5.542 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.732 7.552 -4.691 1.00 0.00 H new ATOM 541 N ALA A 39 -6.267 -1.388 -6.482 1.00 0.00 N ATOM 542 CA ALA A 39 -6.656 -2.633 -7.131 1.00 0.00 C ATOM 543 C ALA A 39 -6.432 -2.559 -8.638 1.00 0.00 C ATOM 544 O ALA A 39 -6.846 -3.503 -9.343 1.00 0.00 O ATOM 545 CB ALA A 39 -8.110 -2.958 -6.827 1.00 0.00 C ATOM 546 OXT ALA A 39 -5.846 -1.558 -9.099 1.00 0.00 O ATOM 0 H ALA A 39 -7.041 -0.870 -6.066 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.028 -3.431 -6.734 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.385 -3.891 -7.319 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.242 -3.063 -5.750 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.747 -2.153 -7.194 1.00 0.00 H new