USER MOD reduce.3.24.130724 H: found=0, std=0, add=285, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 282 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0702 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= -0.0193 USER MOD Single : A 17 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.057!) USER MOD Single : A 19 THR OG1 : rot -44:sc= 0.987 USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= -0.0115 (180deg=-0.166) USER MOD Single : A 27 HIS : no HD1:sc= -0.0598 X(o=-0.06,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.245 K(o=-0.25,f=-1) USER MOD Single : A 42 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.968 0.998 -8.638 1.00 0.00 N ATOM 2 CA GLY A 1 1.696 1.511 -7.492 1.00 0.00 C ATOM 3 C GLY A 1 1.198 2.873 -7.051 1.00 0.00 C ATOM 4 O GLY A 1 1.136 3.808 -7.850 1.00 0.00 O ATOM 0 H1 GLY A 1 1.346 0.065 -8.900 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.040 0.908 -8.397 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.075 1.653 -9.439 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.605 0.809 -6.664 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.756 1.577 -7.739 1.00 0.00 H new ATOM 8 N SER A 2 0.839 2.986 -5.776 1.00 0.00 N ATOM 9 CA SER A 2 0.338 4.242 -5.231 1.00 0.00 C ATOM 10 C SER A 2 0.190 4.156 -3.715 1.00 0.00 C ATOM 11 O SER A 2 -0.888 3.860 -3.202 1.00 0.00 O ATOM 12 CB SER A 2 -1.008 4.598 -5.867 1.00 0.00 C ATOM 13 OG SER A 2 -1.594 5.719 -5.228 1.00 0.00 O ATOM 0 H SER A 2 0.886 2.223 -5.101 1.00 0.00 H new ATOM 0 HA SER A 2 1.060 5.024 -5.464 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.868 4.812 -6.927 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.682 3.744 -5.801 1.00 0.00 H new ATOM 0 HG SER A 2 -2.452 5.927 -5.654 1.00 0.00 H new ATOM 19 N MET A 3 1.283 4.418 -3.005 1.00 0.00 N ATOM 20 CA MET A 3 1.275 4.372 -1.548 1.00 0.00 C ATOM 21 C MET A 3 1.182 5.776 -0.960 1.00 0.00 C ATOM 22 O MET A 3 0.419 6.017 -0.023 1.00 0.00 O ATOM 23 CB MET A 3 2.535 3.673 -1.032 1.00 0.00 C ATOM 24 CG MET A 3 2.411 2.159 -0.978 1.00 0.00 C ATOM 25 SD MET A 3 3.192 1.347 -2.385 1.00 0.00 S ATOM 26 CE MET A 3 2.286 -0.198 -2.431 1.00 0.00 C ATOM 0 H MET A 3 2.184 4.664 -3.415 1.00 0.00 H new ATOM 0 HA MET A 3 0.398 3.806 -1.232 1.00 0.00 H new ATOM 0 HB2 MET A 3 3.376 3.938 -1.673 1.00 0.00 H new ATOM 0 HB3 MET A 3 2.765 4.046 -0.034 1.00 0.00 H new ATOM 0 HG2 MET A 3 2.863 1.794 -0.056 1.00 0.00 H new ATOM 0 HG3 MET A 3 1.356 1.886 -0.945 1.00 0.00 H new ATOM 0 HE1 MET A 3 2.656 -0.812 -3.252 1.00 0.00 H new ATOM 0 HE2 MET A 3 2.425 -0.729 -1.489 1.00 0.00 H new ATOM 0 HE3 MET A 3 1.226 0.006 -2.580 1.00 0.00 H new ATOM 36 N ILE A 4 1.962 6.698 -1.514 1.00 0.00 N ATOM 37 CA ILE A 4 1.966 8.078 -1.044 1.00 0.00 C ATOM 38 C ILE A 4 1.273 9.000 -2.041 1.00 0.00 C ATOM 39 O ILE A 4 1.410 8.837 -3.254 1.00 0.00 O ATOM 40 CB ILE A 4 3.399 8.586 -0.802 1.00 0.00 C ATOM 41 CG1 ILE A 4 4.173 7.599 0.074 1.00 0.00 C ATOM 42 CG2 ILE A 4 3.371 9.964 -0.159 1.00 0.00 C ATOM 43 CD1 ILE A 4 3.528 7.350 1.419 1.00 0.00 C ATOM 0 H ILE A 4 2.599 6.514 -2.289 1.00 0.00 H new ATOM 0 HA ILE A 4 1.421 8.092 -0.100 1.00 0.00 H new ATOM 0 HB ILE A 4 3.907 8.665 -1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.266 6.651 -0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 4 5.183 7.978 0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 4 4.392 10.309 0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.853 10.662 -0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 4 2.848 9.909 0.796 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.131 6.641 1.986 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.459 8.289 1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.528 6.941 1.273 1.00 0.00 H new ATOM 55 N THR A 5 0.528 9.971 -1.522 1.00 0.00 N ATOM 56 CA THR A 5 -0.187 10.920 -2.366 1.00 0.00 C ATOM 57 C THR A 5 0.702 12.101 -2.740 1.00 0.00 C ATOM 58 O THR A 5 1.703 12.387 -2.084 1.00 0.00 O ATOM 59 CB THR A 5 -1.455 11.448 -1.668 1.00 0.00 C ATOM 60 OG1 THR A 5 -1.283 11.412 -0.247 1.00 0.00 O ATOM 61 CG2 THR A 5 -2.671 10.621 -2.059 1.00 0.00 C ATOM 0 H THR A 5 0.404 10.121 -0.521 1.00 0.00 H new ATOM 0 HA THR A 5 -0.475 10.384 -3.270 1.00 0.00 H new ATOM 0 HB THR A 5 -1.618 12.477 -1.987 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.093 11.751 0.189 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.554 11.012 -1.554 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.816 10.675 -3.138 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.515 9.583 -1.765 1.00 0.00 H new ATOM 69 N PRO A 6 0.330 12.804 -3.820 1.00 0.00 N ATOM 70 CA PRO A 6 1.080 13.966 -4.305 1.00 0.00 C ATOM 71 C PRO A 6 0.967 15.162 -3.366 1.00 0.00 C ATOM 72 O PRO A 6 0.420 15.052 -2.269 1.00 0.00 O ATOM 73 CB PRO A 6 0.420 14.278 -5.650 1.00 0.00 C ATOM 74 CG PRO A 6 -0.962 13.734 -5.529 1.00 0.00 C ATOM 75 CD PRO A 6 -0.853 12.519 -4.650 1.00 0.00 C ATOM 0 HA PRO A 6 2.148 13.761 -4.376 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.408 15.350 -5.846 1.00 0.00 H new ATOM 0 HB3 PRO A 6 0.959 13.810 -6.474 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.635 14.472 -5.093 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -1.366 13.473 -6.507 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -1.747 12.381 -4.042 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -0.723 11.609 -5.236 1.00 0.00 H new ATOM 83 N SER A 7 1.487 16.304 -3.804 1.00 0.00 N ATOM 84 CA SER A 7 1.448 17.520 -3.001 1.00 0.00 C ATOM 85 C SER A 7 1.118 18.732 -3.866 1.00 0.00 C ATOM 86 O SER A 7 1.801 19.755 -3.810 1.00 0.00 O ATOM 87 CB SER A 7 2.788 17.734 -2.294 1.00 0.00 C ATOM 88 OG SER A 7 3.285 16.517 -1.764 1.00 0.00 O ATOM 0 H SER A 7 1.941 16.412 -4.711 1.00 0.00 H new ATOM 0 HA SER A 7 0.664 17.405 -2.252 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.511 18.151 -2.996 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.667 18.461 -1.491 1.00 0.00 H new ATOM 0 HG SER A 7 4.143 16.680 -1.319 1.00 0.00 H new ATOM 94 N CYS A 8 0.064 18.611 -4.667 1.00 0.00 N ATOM 95 CA CYS A 8 -0.359 19.694 -5.545 1.00 0.00 C ATOM 96 C CYS A 8 -1.881 19.760 -5.634 1.00 0.00 C ATOM 97 O CYS A 8 -2.579 18.858 -5.171 1.00 0.00 O ATOM 98 CB CYS A 8 0.236 19.508 -6.942 1.00 0.00 C ATOM 99 SG CYS A 8 0.706 21.065 -7.764 1.00 0.00 S ATOM 0 H CYS A 8 -0.513 17.772 -4.725 1.00 0.00 H new ATOM 0 HA CYS A 8 0.004 20.632 -5.124 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.116 18.869 -6.868 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.487 18.984 -7.567 1.00 0.00 H new ATOM 104 N GLN A 9 -2.387 20.834 -6.231 1.00 0.00 N ATOM 105 CA GLN A 9 -3.826 21.018 -6.380 1.00 0.00 C ATOM 106 C GLN A 9 -4.168 21.537 -7.773 1.00 0.00 C ATOM 107 O GLN A 9 -3.282 21.760 -8.598 1.00 0.00 O ATOM 108 CB GLN A 9 -4.350 21.988 -5.319 1.00 0.00 C ATOM 109 CG GLN A 9 -4.289 21.433 -3.905 1.00 0.00 C ATOM 110 CD GLN A 9 -5.662 21.265 -3.284 1.00 0.00 C ATOM 111 OE1 GLN A 9 -6.319 22.244 -2.929 1.00 0.00 O ATOM 112 NE2 GLN A 9 -6.103 20.020 -3.150 1.00 0.00 N ATOM 0 H GLN A 9 -1.822 21.590 -6.619 1.00 0.00 H new ATOM 0 HA GLN A 9 -4.306 20.049 -6.246 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.771 22.910 -5.364 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.382 22.248 -5.554 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.780 20.469 -3.919 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -3.692 22.100 -3.283 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -5.525 19.238 -3.458 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.020 19.845 -2.739 1.00 0.00 H new ATOM 121 N LYS A 10 -5.458 21.726 -8.028 1.00 0.00 N ATOM 122 CA LYS A 10 -5.918 22.219 -9.321 1.00 0.00 C ATOM 123 C LYS A 10 -5.588 21.226 -10.431 1.00 0.00 C ATOM 124 O LYS A 10 -5.108 20.124 -10.169 1.00 0.00 O ATOM 125 CB LYS A 10 -5.279 23.575 -9.629 1.00 0.00 C ATOM 126 CG LYS A 10 -6.290 24.686 -9.857 1.00 0.00 C ATOM 127 CD LYS A 10 -5.750 25.746 -10.803 1.00 0.00 C ATOM 128 CE LYS A 10 -6.384 25.638 -12.181 1.00 0.00 C ATOM 129 NZ LYS A 10 -6.483 26.964 -12.851 1.00 0.00 N ATOM 0 H LYS A 10 -6.204 21.545 -7.356 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.001 22.336 -9.273 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.624 23.855 -8.804 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.651 23.479 -10.515 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.208 24.265 -10.267 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.548 25.146 -8.903 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.942 26.736 -10.390 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.669 25.641 -10.890 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.795 24.961 -12.800 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.379 25.202 -12.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.920 26.848 -13.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.066 27.602 -12.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.532 27.369 -12.961 1.00 0.00 H new ATOM 143 N GLY A 11 -5.849 21.625 -11.672 1.00 0.00 N ATOM 144 CA GLY A 11 -5.573 20.758 -12.803 1.00 0.00 C ATOM 145 C GLY A 11 -4.093 20.476 -12.969 1.00 0.00 C ATOM 146 O GLY A 11 -3.705 19.576 -13.714 1.00 0.00 O ATOM 0 H GLY A 11 -6.246 22.533 -11.914 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.107 19.817 -12.674 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.956 21.220 -13.713 1.00 0.00 H new ATOM 150 N TYR A 12 -3.264 21.247 -12.273 1.00 0.00 N ATOM 151 CA TYR A 12 -1.817 21.078 -12.350 1.00 0.00 C ATOM 152 C TYR A 12 -1.398 19.716 -11.804 1.00 0.00 C ATOM 153 O TYR A 12 -2.143 19.076 -11.062 1.00 0.00 O ATOM 154 CB TYR A 12 -1.111 22.190 -11.574 1.00 0.00 C ATOM 155 CG TYR A 12 -1.087 23.515 -12.302 1.00 0.00 C ATOM 156 CD1 TYR A 12 -2.267 24.153 -12.664 1.00 0.00 C ATOM 157 CD2 TYR A 12 0.116 24.130 -12.626 1.00 0.00 C ATOM 158 CE1 TYR A 12 -2.250 25.363 -13.330 1.00 0.00 C ATOM 159 CE2 TYR A 12 0.143 25.341 -13.291 1.00 0.00 C ATOM 160 CZ TYR A 12 -1.043 25.953 -13.641 1.00 0.00 C ATOM 161 OH TYR A 12 -1.021 27.160 -14.303 1.00 0.00 O ATOM 0 H TYR A 12 -3.569 21.995 -11.650 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.525 21.134 -13.399 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.607 22.322 -10.613 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.087 21.882 -11.364 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.214 23.695 -12.420 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.046 23.653 -12.353 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.177 25.844 -13.606 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.087 25.806 -13.535 1.00 0.00 H new ATOM 0 HH TYR A 12 -0.092 27.438 -14.445 1.00 0.00 H new ATOM 171 N PHE A 13 -0.200 19.280 -12.176 1.00 0.00 N ATOM 172 CA PHE A 13 0.321 17.995 -11.725 1.00 0.00 C ATOM 173 C PHE A 13 1.831 18.061 -11.518 1.00 0.00 C ATOM 174 O PHE A 13 2.548 18.775 -12.218 1.00 0.00 O ATOM 175 CB PHE A 13 -0.018 16.899 -12.738 1.00 0.00 C ATOM 176 CG PHE A 13 1.043 16.699 -13.782 1.00 0.00 C ATOM 177 CD1 PHE A 13 1.402 17.733 -14.632 1.00 0.00 C ATOM 178 CD2 PHE A 13 1.682 15.476 -13.914 1.00 0.00 C ATOM 179 CE1 PHE A 13 2.379 17.552 -15.593 1.00 0.00 C ATOM 180 CE2 PHE A 13 2.659 15.290 -14.873 1.00 0.00 C ATOM 181 CZ PHE A 13 3.007 16.328 -15.714 1.00 0.00 C ATOM 0 H PHE A 13 0.429 19.798 -12.789 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.149 17.757 -10.771 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.175 15.960 -12.207 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.958 17.148 -13.230 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.913 18.692 -14.543 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.413 14.660 -13.260 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.651 18.366 -16.248 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.150 14.333 -14.965 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.769 16.183 -16.465 1.00 0.00 H new ATOM 191 N PRO A 14 2.326 17.300 -10.530 1.00 0.00 N ATOM 192 CA PRO A 14 3.755 17.255 -10.207 1.00 0.00 C ATOM 193 C PRO A 14 4.573 16.557 -11.288 1.00 0.00 C ATOM 194 O PRO A 14 4.124 15.578 -11.886 1.00 0.00 O ATOM 195 CB PRO A 14 3.798 16.454 -8.903 1.00 0.00 C ATOM 196 CG PRO A 14 2.570 15.612 -8.935 1.00 0.00 C ATOM 197 CD PRO A 14 1.529 16.424 -9.655 1.00 0.00 C ATOM 0 HA PRO A 14 4.186 18.253 -10.126 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.697 15.841 -8.845 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.804 17.112 -8.034 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.756 14.670 -9.451 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.241 15.363 -7.926 1.00 0.00 H new ATOM 0 HD2 PRO A 14 0.852 15.791 -10.229 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.917 16.999 -8.961 1.00 0.00 H new ATOM 205 N CYS A 15 5.775 17.066 -11.535 1.00 0.00 N ATOM 206 CA CYS A 15 6.657 16.491 -12.545 1.00 0.00 C ATOM 207 C CYS A 15 6.936 15.020 -12.250 1.00 0.00 C ATOM 208 O CYS A 15 6.580 14.511 -11.188 1.00 0.00 O ATOM 209 CB CYS A 15 7.973 17.269 -12.605 1.00 0.00 C ATOM 210 SG CYS A 15 8.698 17.376 -14.273 1.00 0.00 S ATOM 0 H CYS A 15 6.161 17.876 -11.050 1.00 0.00 H new ATOM 0 HA CYS A 15 6.157 16.561 -13.511 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.804 18.278 -12.229 1.00 0.00 H new ATOM 0 HB3 CYS A 15 8.693 16.796 -11.937 1.00 0.00 H new ATOM 215 N GLY A 16 7.575 14.343 -13.199 1.00 0.00 N ATOM 216 CA GLY A 16 7.892 12.938 -13.022 1.00 0.00 C ATOM 217 C GLY A 16 8.610 12.665 -11.715 1.00 0.00 C ATOM 218 O GLY A 16 8.108 11.931 -10.865 1.00 0.00 O ATOM 0 H GLY A 16 7.879 14.742 -14.087 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.972 12.354 -13.056 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.514 12.602 -13.852 1.00 0.00 H new ATOM 222 N ASN A 17 9.789 13.257 -11.555 1.00 0.00 N ATOM 223 CA ASN A 17 10.579 13.071 -10.343 1.00 0.00 C ATOM 224 C ASN A 17 10.764 14.395 -9.607 1.00 0.00 C ATOM 225 O ASN A 17 10.917 14.422 -8.385 1.00 0.00 O ATOM 226 CB ASN A 17 11.943 12.470 -10.685 1.00 0.00 C ATOM 227 CG ASN A 17 12.587 11.784 -9.496 1.00 0.00 C ATOM 228 OD1 ASN A 17 12.387 12.186 -8.350 1.00 0.00 O ATOM 229 ND2 ASN A 17 13.367 10.743 -9.765 1.00 0.00 N ATOM 0 H ASN A 17 10.218 13.869 -12.249 1.00 0.00 H new ATOM 0 HA ASN A 17 10.041 12.384 -9.690 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.827 11.752 -11.497 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.603 13.258 -11.048 1.00 0.00 H new ATOM 0 HD21 ASN A 17 13.829 10.242 -9.006 1.00 0.00 H new ATOM 0 HD22 ASN A 17 13.504 10.445 -10.731 1.00 0.00 H new ATOM 236 N LEU A 18 10.749 15.490 -10.358 1.00 0.00 N ATOM 237 CA LEU A 18 10.915 16.818 -9.778 1.00 0.00 C ATOM 238 C LEU A 18 9.719 17.184 -8.905 1.00 0.00 C ATOM 239 O LEU A 18 8.764 16.416 -8.787 1.00 0.00 O ATOM 240 CB LEU A 18 11.092 17.861 -10.883 1.00 0.00 C ATOM 241 CG LEU A 18 12.528 18.118 -11.340 1.00 0.00 C ATOM 242 CD1 LEU A 18 12.544 18.967 -12.601 1.00 0.00 C ATOM 243 CD2 LEU A 18 13.327 18.790 -10.232 1.00 0.00 C ATOM 0 H LEU A 18 10.624 15.485 -11.370 1.00 0.00 H new ATOM 0 HA LEU A 18 11.808 16.805 -9.153 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.507 17.547 -11.748 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.668 18.804 -10.537 1.00 0.00 H new ATOM 0 HG LEU A 18 12.994 17.159 -11.567 1.00 0.00 H new ATOM 0 HD11 LEU A 18 13.575 19.139 -12.911 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.008 18.448 -13.396 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.060 19.923 -12.402 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.347 18.966 -10.574 1.00 0.00 H new ATOM 0 HD22 LEU A 18 12.862 19.741 -9.974 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.345 18.145 -9.354 1.00 0.00 H new ATOM 255 N THR A 19 9.776 18.364 -8.295 1.00 0.00 N ATOM 256 CA THR A 19 8.698 18.833 -7.434 1.00 0.00 C ATOM 257 C THR A 19 7.984 20.031 -8.050 1.00 0.00 C ATOM 258 O THR A 19 7.309 20.790 -7.354 1.00 0.00 O ATOM 259 CB THR A 19 9.223 19.225 -6.040 1.00 0.00 C ATOM 260 OG1 THR A 19 8.127 19.548 -5.177 1.00 0.00 O ATOM 261 CG2 THR A 19 10.170 20.412 -6.131 1.00 0.00 C ATOM 0 H THR A 19 10.558 19.013 -8.382 1.00 0.00 H new ATOM 0 HA THR A 19 7.994 18.007 -7.331 1.00 0.00 H new ATOM 0 HB THR A 19 9.770 18.376 -5.631 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.485 20.109 -5.660 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.527 20.670 -5.134 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.018 20.153 -6.765 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.644 21.265 -6.560 1.00 0.00 H new ATOM 269 N LYS A 20 8.134 20.194 -9.360 1.00 0.00 N ATOM 270 CA LYS A 20 7.502 21.298 -10.071 1.00 0.00 C ATOM 271 C LYS A 20 6.143 20.881 -10.625 1.00 0.00 C ATOM 272 O LYS A 20 5.988 19.780 -11.153 1.00 0.00 O ATOM 273 CB LYS A 20 8.403 21.781 -11.211 1.00 0.00 C ATOM 274 CG LYS A 20 7.731 22.781 -12.136 1.00 0.00 C ATOM 275 CD LYS A 20 8.680 23.264 -13.219 1.00 0.00 C ATOM 276 CE LYS A 20 8.310 24.657 -13.704 1.00 0.00 C ATOM 277 NZ LYS A 20 8.626 25.700 -12.689 1.00 0.00 N ATOM 0 H LYS A 20 8.688 19.575 -9.951 1.00 0.00 H new ATOM 0 HA LYS A 20 7.352 22.114 -9.364 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.298 22.236 -10.787 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.728 20.920 -11.795 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.856 22.321 -12.596 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.376 23.633 -11.556 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.700 23.271 -12.834 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.660 22.568 -14.058 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.847 24.874 -14.627 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.246 24.689 -13.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.669 26.631 -13.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.886 25.709 -11.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.544 25.489 -12.249 1.00 0.00 H new ATOM 291 N CYS A 21 5.162 21.769 -10.503 1.00 0.00 N ATOM 292 CA CYS A 21 3.816 21.494 -10.992 1.00 0.00 C ATOM 293 C CYS A 21 3.551 22.234 -12.300 1.00 0.00 C ATOM 294 O CYS A 21 3.721 23.452 -12.383 1.00 0.00 O ATOM 295 CB CYS A 21 2.778 21.899 -9.944 1.00 0.00 C ATOM 296 SG CYS A 21 2.346 20.572 -8.773 1.00 0.00 S ATOM 0 H CYS A 21 5.274 22.686 -10.070 1.00 0.00 H new ATOM 0 HA CYS A 21 3.735 20.423 -11.178 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.157 22.754 -9.384 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.872 22.228 -10.454 1.00 0.00 H new ATOM 301 N LEU A 22 3.134 21.492 -13.319 1.00 0.00 N ATOM 302 CA LEU A 22 2.845 22.077 -14.624 1.00 0.00 C ATOM 303 C LEU A 22 1.346 22.301 -14.800 1.00 0.00 C ATOM 304 O LEU A 22 0.517 21.658 -14.155 1.00 0.00 O ATOM 305 CB LEU A 22 3.370 21.171 -15.739 1.00 0.00 C ATOM 306 CG LEU A 22 4.880 21.210 -15.980 1.00 0.00 C ATOM 307 CD1 LEU A 22 5.461 19.805 -15.953 1.00 0.00 C ATOM 308 CD2 LEU A 22 5.192 21.893 -17.303 1.00 0.00 C ATOM 0 H LEU A 22 2.988 20.484 -13.267 1.00 0.00 H new ATOM 0 HA LEU A 22 3.348 23.042 -14.681 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.085 20.144 -15.510 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.867 21.442 -16.667 1.00 0.00 H new ATOM 0 HG LEU A 22 5.341 21.787 -15.179 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.536 19.852 -16.126 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.270 19.351 -14.981 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.994 19.203 -16.733 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.271 21.911 -17.457 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.718 21.344 -18.117 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.811 22.914 -17.284 1.00 0.00 H new ATOM 320 N PRO A 23 0.988 23.234 -15.695 1.00 0.00 N ATOM 321 CA PRO A 23 -0.412 23.562 -15.979 1.00 0.00 C ATOM 322 C PRO A 23 -1.134 22.439 -16.715 1.00 0.00 C ATOM 323 O PRO A 23 -0.514 21.461 -17.135 1.00 0.00 O ATOM 324 CB PRO A 23 -0.311 24.805 -16.867 1.00 0.00 C ATOM 325 CG PRO A 23 1.029 24.705 -17.509 1.00 0.00 C ATOM 326 CD PRO A 23 1.923 24.039 -16.499 1.00 0.00 C ATOM 0 HA PRO A 23 -0.987 23.718 -15.066 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.106 24.825 -17.612 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.401 25.719 -16.280 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.978 24.123 -18.429 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.409 25.691 -17.776 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.679 23.417 -16.979 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.453 24.769 -15.888 1.00 0.00 H new ATOM 334 N ARG A 24 -2.446 22.584 -16.867 1.00 0.00 N ATOM 335 CA ARG A 24 -3.252 21.581 -17.552 1.00 0.00 C ATOM 336 C ARG A 24 -3.034 21.646 -19.061 1.00 0.00 C ATOM 337 O ARG A 24 -3.244 20.663 -19.771 1.00 0.00 O ATOM 338 CB ARG A 24 -4.734 21.780 -17.231 1.00 0.00 C ATOM 339 CG ARG A 24 -5.314 23.063 -17.802 1.00 0.00 C ATOM 340 CD ARG A 24 -5.941 22.831 -19.168 1.00 0.00 C ATOM 341 NE ARG A 24 -7.392 23.002 -19.140 1.00 0.00 N ATOM 342 CZ ARG A 24 -7.990 24.174 -18.958 1.00 0.00 C ATOM 343 NH1 ARG A 24 -7.267 25.273 -18.790 1.00 0.00 N ATOM 344 NH2 ARG A 24 -9.315 24.249 -18.945 1.00 0.00 N ATOM 0 H ARG A 24 -2.974 23.387 -16.525 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.940 20.598 -17.199 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.298 20.932 -17.619 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.866 21.782 -16.149 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.065 23.460 -17.119 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.528 23.814 -17.884 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.508 23.525 -19.888 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.701 21.825 -19.511 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.977 22.176 -19.267 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.248 25.220 -18.800 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.729 26.171 -18.651 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.875 23.406 -19.075 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.773 25.149 -18.805 1.00 0.00 H new ATOM 358 N ALA A 25 -2.612 22.810 -19.543 1.00 0.00 N ATOM 359 CA ALA A 25 -2.364 23.003 -20.966 1.00 0.00 C ATOM 360 C ALA A 25 -1.196 22.146 -21.441 1.00 0.00 C ATOM 361 O ALA A 25 -0.992 21.967 -22.642 1.00 0.00 O ATOM 362 CB ALA A 25 -2.099 24.471 -21.262 1.00 0.00 C ATOM 0 H ALA A 25 -2.435 23.634 -18.969 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.255 22.690 -21.510 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.915 24.600 -22.329 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.966 25.063 -20.969 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.226 24.803 -20.701 1.00 0.00 H new ATOM 368 N PHE A 26 -0.430 21.618 -20.492 1.00 0.00 N ATOM 369 CA PHE A 26 0.719 20.781 -20.813 1.00 0.00 C ATOM 370 C PHE A 26 0.299 19.579 -21.654 1.00 0.00 C ATOM 371 O PHE A 26 1.120 18.970 -22.340 1.00 0.00 O ATOM 372 CB PHE A 26 1.406 20.306 -19.531 1.00 0.00 C ATOM 373 CG PHE A 26 0.843 19.022 -18.991 1.00 0.00 C ATOM 374 CD1 PHE A 26 -0.473 18.952 -18.565 1.00 0.00 C ATOM 375 CD2 PHE A 26 1.632 17.886 -18.908 1.00 0.00 C ATOM 376 CE1 PHE A 26 -0.994 17.773 -18.068 1.00 0.00 C ATOM 377 CE2 PHE A 26 1.116 16.703 -18.411 1.00 0.00 C ATOM 378 CZ PHE A 26 -0.198 16.647 -17.990 1.00 0.00 C ATOM 0 H PHE A 26 -0.585 21.756 -19.493 1.00 0.00 H new ATOM 0 HA PHE A 26 1.422 21.380 -21.393 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.470 20.173 -19.726 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.315 21.082 -18.771 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.100 19.830 -18.622 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.661 17.925 -19.235 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.022 17.732 -17.741 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.740 15.824 -18.352 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.602 15.724 -17.600 1.00 0.00 H new ATOM 388 N HIS A 27 -0.986 19.244 -21.595 1.00 0.00 N ATOM 389 CA HIS A 27 -1.517 18.115 -22.350 1.00 0.00 C ATOM 390 C HIS A 27 -1.220 18.269 -23.839 1.00 0.00 C ATOM 391 O HIS A 27 -1.918 18.994 -24.549 1.00 0.00 O ATOM 392 CB HIS A 27 -3.025 17.990 -22.129 1.00 0.00 C ATOM 393 CG HIS A 27 -3.687 17.014 -23.052 1.00 0.00 C ATOM 394 ND1 HIS A 27 -4.821 17.313 -23.777 1.00 0.00 N ATOM 395 CD2 HIS A 27 -3.367 15.737 -23.368 1.00 0.00 C ATOM 396 CE1 HIS A 27 -5.171 16.263 -24.497 1.00 0.00 C ATOM 397 NE2 HIS A 27 -4.304 15.293 -24.268 1.00 0.00 N ATOM 0 H HIS A 27 -1.678 19.738 -21.032 1.00 0.00 H new ATOM 0 HA HIS A 27 -1.029 17.209 -21.992 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -3.209 17.685 -21.099 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.485 18.970 -22.259 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.530 15.173 -22.984 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -6.021 16.207 -25.160 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -4.327 14.365 -24.691 1.00 0.00 H new ATOM 405 N CYS A 28 -0.181 17.585 -24.304 1.00 0.00 N ATOM 406 CA CYS A 28 0.209 17.646 -25.707 1.00 0.00 C ATOM 407 C CYS A 28 0.512 19.082 -26.125 1.00 0.00 C ATOM 408 O CYS A 28 -0.394 19.851 -26.447 1.00 0.00 O ATOM 409 CB CYS A 28 -0.897 17.069 -26.592 1.00 0.00 C ATOM 410 SG CYS A 28 -0.841 15.256 -26.765 1.00 0.00 S ATOM 0 H CYS A 28 0.407 16.981 -23.729 1.00 0.00 H new ATOM 0 HA CYS A 28 1.113 17.050 -25.833 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.864 17.354 -26.178 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.828 17.520 -27.582 1.00 0.00 H new ATOM 415 N ASP A 29 1.793 19.437 -26.118 1.00 0.00 N ATOM 416 CA ASP A 29 2.216 20.780 -26.497 1.00 0.00 C ATOM 417 C ASP A 29 3.146 20.736 -27.705 1.00 0.00 C ATOM 418 O ASP A 29 3.036 21.554 -28.617 1.00 0.00 O ATOM 419 CB ASP A 29 2.916 21.467 -25.324 1.00 0.00 C ATOM 420 CG ASP A 29 2.273 21.137 -23.991 1.00 0.00 C ATOM 421 OD1 ASP A 29 1.032 21.006 -23.948 1.00 0.00 O ATOM 422 OD2 ASP A 29 3.010 21.009 -22.991 1.00 0.00 O ATOM 0 H ASP A 29 2.556 18.813 -25.854 1.00 0.00 H new ATOM 0 HA ASP A 29 1.328 21.352 -26.766 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.963 21.166 -25.303 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.898 22.546 -25.476 1.00 0.00 H new ATOM 427 N GLY A 30 4.065 19.774 -27.704 1.00 0.00 N ATOM 428 CA GLY A 30 5.002 19.642 -28.804 1.00 0.00 C ATOM 429 C GLY A 30 6.439 19.546 -28.333 1.00 0.00 C ATOM 430 O GLY A 30 7.280 18.940 -28.997 1.00 0.00 O ATOM 0 H GLY A 30 4.177 19.084 -26.961 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.753 18.754 -29.385 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.898 20.498 -29.471 1.00 0.00 H new ATOM 434 N LYS A 31 6.725 20.148 -27.183 1.00 0.00 N ATOM 435 CA LYS A 31 8.071 20.130 -26.623 1.00 0.00 C ATOM 436 C LYS A 31 8.026 19.971 -25.106 1.00 0.00 C ATOM 437 O LYS A 31 6.951 19.920 -24.509 1.00 0.00 O ATOM 438 CB LYS A 31 8.816 21.415 -26.990 1.00 0.00 C ATOM 439 CG LYS A 31 8.657 21.815 -28.447 1.00 0.00 C ATOM 440 CD LYS A 31 9.932 22.432 -28.997 1.00 0.00 C ATOM 441 CE LYS A 31 10.026 23.912 -28.661 1.00 0.00 C ATOM 442 NZ LYS A 31 10.863 24.653 -29.645 1.00 0.00 N ATOM 0 H LYS A 31 6.042 20.655 -26.620 1.00 0.00 H new ATOM 0 HA LYS A 31 8.602 19.277 -27.045 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.456 22.227 -26.358 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.876 21.286 -26.771 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.391 20.939 -29.039 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.837 22.526 -28.543 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.796 21.909 -28.587 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.964 22.301 -30.079 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.025 24.343 -28.638 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.448 24.032 -27.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.902 25.658 -29.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.825 24.259 -29.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.447 24.561 -30.594 1.00 0.00 H new ATOM 456 N ASP A 32 9.200 19.896 -24.489 1.00 0.00 N ATOM 457 CA ASP A 32 9.295 19.746 -23.042 1.00 0.00 C ATOM 458 C ASP A 32 8.819 21.009 -22.332 1.00 0.00 C ATOM 459 O ASP A 32 9.150 22.123 -22.738 1.00 0.00 O ATOM 460 CB ASP A 32 10.735 19.428 -22.634 1.00 0.00 C ATOM 461 CG ASP A 32 10.826 18.842 -21.239 1.00 0.00 C ATOM 462 OD1 ASP A 32 9.766 18.531 -20.656 1.00 0.00 O ATOM 463 OD2 ASP A 32 11.956 18.692 -20.731 1.00 0.00 O ATOM 0 H ASP A 32 10.099 19.937 -24.969 1.00 0.00 H new ATOM 0 HA ASP A 32 8.650 18.919 -22.744 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.165 18.726 -23.348 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.333 20.338 -22.682 1.00 0.00 H new ATOM 468 N ASP A 33 8.041 20.828 -21.271 1.00 0.00 N ATOM 469 CA ASP A 33 7.518 21.953 -20.505 1.00 0.00 C ATOM 470 C ASP A 33 8.143 21.999 -19.114 1.00 0.00 C ATOM 471 O ASP A 33 8.379 23.075 -18.563 1.00 0.00 O ATOM 472 CB ASP A 33 5.996 21.858 -20.391 1.00 0.00 C ATOM 473 CG ASP A 33 5.306 21.994 -21.734 1.00 0.00 C ATOM 474 OD1 ASP A 33 5.603 21.186 -22.638 1.00 0.00 O ATOM 475 OD2 ASP A 33 4.469 22.909 -21.881 1.00 0.00 O ATOM 0 H ASP A 33 7.758 19.912 -20.922 1.00 0.00 H new ATOM 0 HA ASP A 33 7.777 22.871 -21.032 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.727 20.902 -19.943 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.635 22.637 -19.720 1.00 0.00 H new ATOM 480 N CYS A 34 8.407 20.825 -18.550 1.00 0.00 N ATOM 481 CA CYS A 34 9.003 20.730 -17.223 1.00 0.00 C ATOM 482 C CYS A 34 10.491 21.064 -17.269 1.00 0.00 C ATOM 483 O CYS A 34 11.033 21.664 -16.342 1.00 0.00 O ATOM 484 CB CYS A 34 8.801 19.326 -16.650 1.00 0.00 C ATOM 485 SG CYS A 34 8.934 19.238 -14.835 1.00 0.00 S ATOM 0 H CYS A 34 8.217 19.926 -18.992 1.00 0.00 H new ATOM 0 HA CYS A 34 8.507 21.454 -16.577 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.819 18.961 -16.950 1.00 0.00 H new ATOM 0 HB3 CYS A 34 9.539 18.656 -17.091 1.00 0.00 H new ATOM 490 N GLY A 35 11.147 20.669 -18.357 1.00 0.00 N ATOM 491 CA GLY A 35 12.566 20.934 -18.505 1.00 0.00 C ATOM 492 C GLY A 35 13.416 19.710 -18.229 1.00 0.00 C ATOM 493 O GLY A 35 14.600 19.680 -18.563 1.00 0.00 O ATOM 0 H GLY A 35 10.721 20.170 -19.138 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.763 21.289 -19.517 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.856 21.735 -17.825 1.00 0.00 H new ATOM 497 N ASN A 36 12.812 18.698 -17.616 1.00 0.00 N ATOM 498 CA ASN A 36 13.523 17.465 -17.293 1.00 0.00 C ATOM 499 C ASN A 36 13.162 16.356 -18.276 1.00 0.00 C ATOM 500 O ASN A 36 13.939 15.427 -18.492 1.00 0.00 O ATOM 501 CB ASN A 36 13.197 17.023 -15.865 1.00 0.00 C ATOM 502 CG ASN A 36 13.666 15.611 -15.576 1.00 0.00 C ATOM 503 OD1 ASN A 36 14.755 15.209 -15.989 1.00 0.00 O ATOM 504 ND2 ASN A 36 12.845 14.849 -14.863 1.00 0.00 N ATOM 0 H ASN A 36 11.832 18.706 -17.333 1.00 0.00 H new ATOM 0 HA ASN A 36 14.593 17.660 -17.370 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.664 17.710 -15.159 1.00 0.00 H new ATOM 0 HB3 ASN A 36 12.121 17.085 -15.705 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.107 13.889 -14.637 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.952 15.223 -14.541 1.00 0.00 H new ATOM 511 N GLY A 37 11.976 16.461 -18.869 1.00 0.00 N ATOM 512 CA GLY A 37 11.533 15.460 -19.822 1.00 0.00 C ATOM 513 C GLY A 37 10.630 14.419 -19.192 1.00 0.00 C ATOM 514 O GLY A 37 10.822 13.219 -19.389 1.00 0.00 O ATOM 0 H GLY A 37 11.315 17.221 -18.706 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.003 15.950 -20.639 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.402 14.967 -20.257 1.00 0.00 H new ATOM 518 N ALA A 38 9.643 14.878 -18.429 1.00 0.00 N ATOM 519 CA ALA A 38 8.706 13.977 -17.768 1.00 0.00 C ATOM 520 C ALA A 38 7.275 14.241 -18.224 1.00 0.00 C ATOM 521 O ALA A 38 6.580 13.331 -18.674 1.00 0.00 O ATOM 522 CB ALA A 38 8.815 14.120 -16.257 1.00 0.00 C ATOM 0 H ALA A 38 9.472 15.868 -18.253 1.00 0.00 H new ATOM 0 HA ALA A 38 8.965 12.955 -18.046 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.110 13.442 -15.776 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.829 13.874 -15.940 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.584 15.146 -15.971 1.00 0.00 H new ATOM 528 N ASP A 39 6.842 15.491 -18.104 1.00 0.00 N ATOM 529 CA ASP A 39 5.494 15.875 -18.505 1.00 0.00 C ATOM 530 C ASP A 39 5.260 15.575 -19.982 1.00 0.00 C ATOM 531 O ASP A 39 4.119 15.456 -20.427 1.00 0.00 O ATOM 532 CB ASP A 39 5.261 17.362 -18.231 1.00 0.00 C ATOM 533 CG ASP A 39 5.737 18.242 -19.370 1.00 0.00 C ATOM 534 OD1 ASP A 39 4.932 18.513 -20.285 1.00 0.00 O ATOM 535 OD2 ASP A 39 6.914 18.658 -19.347 1.00 0.00 O ATOM 0 H ASP A 39 7.405 16.256 -17.732 1.00 0.00 H new ATOM 0 HA ASP A 39 4.787 15.290 -17.917 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.198 17.535 -18.062 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.780 17.645 -17.315 1.00 0.00 H new ATOM 540 N GLU A 40 6.348 15.454 -20.736 1.00 0.00 N ATOM 541 CA GLU A 40 6.260 15.169 -22.164 1.00 0.00 C ATOM 542 C GLU A 40 5.456 13.897 -22.416 1.00 0.00 C ATOM 543 O GLU A 40 4.739 13.791 -23.411 1.00 0.00 O ATOM 544 CB GLU A 40 7.659 15.029 -22.766 1.00 0.00 C ATOM 545 CG GLU A 40 8.395 16.350 -22.911 1.00 0.00 C ATOM 546 CD GLU A 40 8.176 16.994 -24.266 1.00 0.00 C ATOM 547 OE1 GLU A 40 7.013 17.312 -24.591 1.00 0.00 O ATOM 548 OE2 GLU A 40 9.168 17.181 -25.000 1.00 0.00 O ATOM 0 H GLU A 40 7.300 15.549 -20.382 1.00 0.00 H new ATOM 0 HA GLU A 40 5.748 16.003 -22.644 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.250 14.361 -22.139 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.578 14.559 -23.746 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.063 17.034 -22.130 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.462 16.186 -22.759 1.00 0.00 H new ATOM 555 N GLU A 41 5.582 12.934 -21.508 1.00 0.00 N ATOM 556 CA GLU A 41 4.868 11.669 -21.633 1.00 0.00 C ATOM 557 C GLU A 41 3.362 11.878 -21.502 1.00 0.00 C ATOM 558 O GLU A 41 2.880 13.010 -21.503 1.00 0.00 O ATOM 559 CB GLU A 41 5.351 10.678 -20.572 1.00 0.00 C ATOM 560 CG GLU A 41 6.860 10.511 -20.537 1.00 0.00 C ATOM 561 CD GLU A 41 7.386 9.709 -21.712 1.00 0.00 C ATOM 562 OE1 GLU A 41 6.861 8.603 -21.958 1.00 0.00 O ATOM 563 OE2 GLU A 41 8.322 10.188 -22.385 1.00 0.00 O ATOM 0 H GLU A 41 6.171 13.006 -20.679 1.00 0.00 H new ATOM 0 HA GLU A 41 5.075 11.261 -22.622 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.008 11.012 -19.593 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.891 9.707 -20.757 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.331 11.494 -20.533 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.146 10.017 -19.608 1.00 0.00 H new ATOM 570 N ASN A 42 2.625 10.778 -21.390 1.00 0.00 N ATOM 571 CA ASN A 42 1.174 10.840 -21.259 1.00 0.00 C ATOM 572 C ASN A 42 0.539 11.433 -22.513 1.00 0.00 C ATOM 573 O ASN A 42 -0.623 11.839 -22.502 1.00 0.00 O ATOM 574 CB ASN A 42 0.787 11.673 -20.035 1.00 0.00 C ATOM 575 CG ASN A 42 1.747 11.482 -18.878 1.00 0.00 C ATOM 576 OD1 ASN A 42 2.482 12.398 -18.508 1.00 0.00 O ATOM 577 ND2 ASN A 42 1.745 10.286 -18.299 1.00 0.00 N ATOM 0 H ASN A 42 3.009 9.833 -21.387 1.00 0.00 H new ATOM 0 HA ASN A 42 0.802 9.823 -21.131 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.760 12.727 -20.310 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.219 11.401 -19.717 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.370 10.098 -17.515 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.119 9.556 -18.639 1.00 0.00 H new ATOM 584 N CYS A 43 1.311 11.479 -23.595 1.00 0.00 N ATOM 585 CA CYS A 43 0.826 12.021 -24.858 1.00 0.00 C ATOM 586 C CYS A 43 1.586 11.419 -26.036 1.00 0.00 C ATOM 587 O CYS A 43 1.654 12.011 -27.112 1.00 0.00 O ATOM 588 CB CYS A 43 0.966 13.544 -24.870 1.00 0.00 C ATOM 589 SG CYS A 43 -0.620 14.436 -24.962 1.00 0.00 S ATOM 0 H CYS A 43 2.275 11.147 -23.621 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.227 11.759 -24.957 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.495 13.857 -23.970 1.00 0.00 H new ATOM 0 HB3 CYS A 43 1.584 13.835 -25.720 1.00 0.00 H new ATOM 594 N GLY A 44 2.158 10.238 -25.823 1.00 0.00 N ATOM 595 CA GLY A 44 2.906 9.575 -26.875 1.00 0.00 C ATOM 596 C GLY A 44 2.080 8.538 -27.609 1.00 0.00 C ATOM 597 O GLY A 44 2.193 8.437 -28.830 1.00 0.00 O ATOM 0 H GLY A 44 2.117 9.728 -24.940 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.264 10.319 -27.586 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.786 9.096 -26.445 1.00 0.00 H new TER 601 GLY A 44 HETATM 602 CA CA A 101 4.529 18.431 -23.271 1.00 0.00 CA