USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 388 hydrogens (5 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 41 THR OG1 : rot -137:sc= 0.508 USER MOD Set 1.2: A 49 THR OG1 : rot -167:sc= 0.474 USER MOD Single : A 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.106 K(o=-0.11,f=-2.6!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0185 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.331 K(o=-0.33,f=-1.4) USER MOD Single : A 21 HIS : no HD1:sc= -0.337 X(o=-0.34,f=-0.63) USER MOD Single : A 24 SER OG : rot 103:sc= 0.0281 USER MOD Single : A 26 HIS : no HE2:sc= 0.0659 K(o=0.066,f=-3.9!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.0704 K(o=0.07,f=-6.8!) USER MOD Single : A 39 GLN : amide:sc= -0.711 X(o=-0.71,f=-0.48) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.173 K(o=-0.17,f=-2.2) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -17.472 5.323 2.393 1.00 0.00 N HETATM 2 CA PCA A 1 -16.125 4.882 2.078 1.00 0.00 C HETATM 3 CB PCA A 1 -15.431 4.827 3.446 1.00 0.00 C HETATM 4 CG PCA A 1 -16.599 4.490 4.382 1.00 0.00 C HETATM 5 CD PCA A 1 -17.796 5.080 3.659 1.00 0.00 C HETATM 6 OE PCA A 1 -18.883 5.294 4.190 1.00 0.00 O HETATM 7 C PCA A 1 -16.145 3.512 1.406 1.00 0.00 C HETATM 8 O PCA A 1 -17.172 2.832 1.377 1.00 0.00 O HETATM 0 H2 PCA A 1 -17.434 6.257 2.849 1.00 0.00 H new HETATM 0 HA PCA A 1 -15.613 5.542 1.378 1.00 0.00 H new HETATM 0 HB2 PCA A 1 -14.650 4.067 3.477 1.00 0.00 H new HETATM 0 HB3 PCA A 1 -14.962 5.776 3.704 1.00 0.00 H new HETATM 0 HG2 PCA A 1 -16.704 3.415 4.526 1.00 0.00 H new HETATM 0 HG3 PCA A 1 -16.466 4.932 5.369 1.00 0.00 H new ATOM 14 N ASN A 2 -14.994 3.106 0.864 1.00 0.00 N ATOM 15 CA ASN A 2 -14.829 1.825 0.195 1.00 0.00 C ATOM 16 C ASN A 2 -13.392 1.329 0.348 1.00 0.00 C ATOM 17 O ASN A 2 -12.472 2.117 0.582 1.00 0.00 O ATOM 18 CB ASN A 2 -15.207 1.960 -1.285 1.00 0.00 C ATOM 19 CG ASN A 2 -14.304 2.941 -2.020 1.00 0.00 C ATOM 20 OD1 ASN A 2 -13.368 2.543 -2.707 1.00 0.00 O ATOM 21 ND2 ASN A 2 -14.581 4.237 -1.885 1.00 0.00 N ATOM 0 H ASN A 2 -14.144 3.669 0.881 1.00 0.00 H new ATOM 0 HA ASN A 2 -15.490 1.091 0.656 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -15.146 0.983 -1.765 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -16.242 2.291 -1.365 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -14.007 4.933 -2.361 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -15.367 4.533 -1.306 1.00 0.00 H new ATOM 28 N CYS A 3 -13.200 0.014 0.210 1.00 0.00 N ATOM 29 CA CYS A 3 -11.888 -0.609 0.328 1.00 0.00 C ATOM 30 C CYS A 3 -11.807 -1.849 -0.571 1.00 0.00 C ATOM 31 O CYS A 3 -11.905 -2.978 -0.087 1.00 0.00 O ATOM 32 CB CYS A 3 -11.624 -0.948 1.795 1.00 0.00 C ATOM 33 SG CYS A 3 -12.935 -1.862 2.648 1.00 0.00 S ATOM 0 H CYS A 3 -13.953 -0.645 0.013 1.00 0.00 H new ATOM 0 HA CYS A 3 -11.114 0.082 -0.007 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.705 -1.532 1.853 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -11.446 -0.018 2.336 1.00 0.00 H new ATOM 38 N PRO A 4 -11.624 -1.652 -1.884 1.00 0.00 N ATOM 39 CA PRO A 4 -11.552 -2.717 -2.867 1.00 0.00 C ATOM 40 C PRO A 4 -10.221 -3.466 -2.788 1.00 0.00 C ATOM 41 O PRO A 4 -9.326 -3.090 -2.030 1.00 0.00 O ATOM 42 CB PRO A 4 -11.711 -2.013 -4.216 1.00 0.00 C ATOM 43 CG PRO A 4 -11.076 -0.649 -3.961 1.00 0.00 C ATOM 44 CD PRO A 4 -11.484 -0.353 -2.519 1.00 0.00 C ATOM 0 HA PRO A 4 -12.321 -3.472 -2.703 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -11.204 -2.552 -5.016 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -12.758 -1.924 -4.505 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -9.993 -0.679 -4.077 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.450 0.107 -4.651 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.731 0.252 -2.014 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -12.419 0.205 -2.482 1.00 0.00 H new ATOM 52 N THR A 5 -10.094 -4.534 -3.580 1.00 0.00 N ATOM 53 CA THR A 5 -8.874 -5.329 -3.663 1.00 0.00 C ATOM 54 C THR A 5 -8.224 -5.133 -5.031 1.00 0.00 C ATOM 55 O THR A 5 -8.913 -5.171 -6.048 1.00 0.00 O ATOM 56 CB THR A 5 -9.199 -6.810 -3.437 1.00 0.00 C ATOM 57 OG1 THR A 5 -9.990 -6.962 -2.281 1.00 0.00 O ATOM 58 CG2 THR A 5 -7.915 -7.623 -3.265 1.00 0.00 C ATOM 0 H THR A 5 -10.843 -4.871 -4.185 1.00 0.00 H new ATOM 0 HA THR A 5 -8.178 -5.002 -2.890 1.00 0.00 H new ATOM 0 HB THR A 5 -9.743 -7.173 -4.309 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.194 -7.911 -2.146 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.167 -8.671 -3.106 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.302 -7.529 -4.161 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.360 -7.249 -2.405 1.00 0.00 H new ATOM 66 N ARG A 6 -6.902 -4.924 -5.064 1.00 0.00 N ATOM 67 CA ARG A 6 -6.151 -4.783 -6.308 1.00 0.00 C ATOM 68 C ARG A 6 -4.773 -5.423 -6.162 1.00 0.00 C ATOM 69 O ARG A 6 -4.164 -5.337 -5.097 1.00 0.00 O ATOM 70 CB ARG A 6 -5.994 -3.307 -6.686 1.00 0.00 C ATOM 71 CG ARG A 6 -7.343 -2.608 -6.849 1.00 0.00 C ATOM 72 CD ARG A 6 -7.137 -1.186 -7.366 1.00 0.00 C ATOM 73 NE ARG A 6 -8.418 -0.483 -7.498 1.00 0.00 N ATOM 74 CZ ARG A 6 -8.536 0.794 -7.876 1.00 0.00 C ATOM 75 NH1 ARG A 6 -7.460 1.522 -8.164 1.00 0.00 N ATOM 76 NH2 ARG A 6 -9.743 1.350 -7.963 1.00 0.00 N ATOM 0 H ARG A 6 -6.326 -4.849 -4.225 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.705 -5.288 -7.099 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.412 -2.797 -5.918 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.431 -3.229 -7.616 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.970 -3.168 -7.542 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.867 -2.584 -5.893 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.486 -0.638 -6.684 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.633 -1.216 -8.332 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.272 -1.001 -7.288 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.531 1.107 -8.098 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.565 2.495 -8.451 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.574 0.802 -7.742 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -9.836 2.324 -8.251 1.00 0.00 H new ATOM 90 N ARG A 7 -4.295 -6.060 -7.234 1.00 0.00 N ATOM 91 CA ARG A 7 -3.005 -6.742 -7.272 1.00 0.00 C ATOM 92 C ARG A 7 -2.355 -6.528 -8.637 1.00 0.00 C ATOM 93 O ARG A 7 -3.027 -6.133 -9.588 1.00 0.00 O ATOM 94 CB ARG A 7 -3.198 -8.246 -7.019 1.00 0.00 C ATOM 95 CG ARG A 7 -3.846 -8.566 -5.668 1.00 0.00 C ATOM 96 CD ARG A 7 -2.971 -8.142 -4.486 1.00 0.00 C ATOM 97 NE ARG A 7 -1.729 -8.924 -4.424 1.00 0.00 N ATOM 98 CZ ARG A 7 -0.595 -8.470 -3.892 1.00 0.00 C ATOM 99 NH1 ARG A 7 -0.527 -7.242 -3.385 1.00 0.00 N ATOM 100 NH2 ARG A 7 0.485 -9.245 -3.861 1.00 0.00 N ATOM 0 H ARG A 7 -4.806 -6.115 -8.115 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.360 -6.332 -6.495 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.814 -8.663 -7.815 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.229 -8.742 -7.073 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.810 -8.062 -5.602 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.041 -9.637 -5.606 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.730 -7.082 -4.572 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.527 -8.268 -3.557 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.735 -9.868 -4.810 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.348 -6.637 -3.401 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.346 -6.905 -2.980 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.446 -10.189 -4.245 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.352 -8.895 -3.453 1.00 0.00 H new ATOM 114 N GLY A 8 -1.049 -6.787 -8.745 1.00 0.00 N ATOM 115 CA GLY A 8 -0.330 -6.669 -10.010 1.00 0.00 C ATOM 116 C GLY A 8 -0.163 -5.216 -10.451 1.00 0.00 C ATOM 117 O GLY A 8 0.114 -4.960 -11.620 1.00 0.00 O ATOM 0 H GLY A 8 -0.466 -7.082 -7.962 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.652 -7.131 -9.911 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.866 -7.221 -10.782 1.00 0.00 H new ATOM 121 N LEU A 9 -0.328 -4.262 -9.528 1.00 0.00 N ATOM 122 CA LEU A 9 -0.247 -2.843 -9.842 1.00 0.00 C ATOM 123 C LEU A 9 1.126 -2.473 -10.400 1.00 0.00 C ATOM 124 O LEU A 9 1.239 -1.516 -11.164 1.00 0.00 O ATOM 125 CB LEU A 9 -0.552 -2.039 -8.573 1.00 0.00 C ATOM 126 CG LEU A 9 -1.996 -2.247 -8.106 1.00 0.00 C ATOM 127 CD1 LEU A 9 -2.175 -1.621 -6.724 1.00 0.00 C ATOM 128 CD2 LEU A 9 -2.984 -1.581 -9.065 1.00 0.00 C ATOM 0 H LEU A 9 -0.521 -4.458 -8.546 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.980 -2.606 -10.613 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.134 -2.336 -7.780 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.380 -0.980 -8.763 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.192 -3.319 -8.076 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.202 -1.767 -6.389 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.492 -2.095 -6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.959 -0.554 -6.777 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.002 -1.744 -8.710 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.782 -0.511 -9.110 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.873 -2.013 -10.060 1.00 0.00 H new ATOM 140 N CYS A 10 2.170 -3.221 -10.032 1.00 0.00 N ATOM 141 CA CYS A 10 3.528 -2.967 -10.488 1.00 0.00 C ATOM 142 C CYS A 10 3.773 -3.502 -11.902 1.00 0.00 C ATOM 143 O CYS A 10 4.902 -3.434 -12.392 1.00 0.00 O ATOM 144 CB CYS A 10 4.516 -3.576 -9.492 1.00 0.00 C ATOM 145 SG CYS A 10 4.512 -2.791 -7.857 1.00 0.00 S ATOM 0 H CYS A 10 2.090 -4.022 -9.406 1.00 0.00 H new ATOM 0 HA CYS A 10 3.677 -1.888 -10.536 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.287 -4.635 -9.374 1.00 0.00 H new ATOM 0 HB3 CYS A 10 5.521 -3.512 -9.910 1.00 0.00 H new ATOM 150 N VAL A 11 2.737 -4.033 -12.563 1.00 0.00 N ATOM 151 CA VAL A 11 2.861 -4.613 -13.902 1.00 0.00 C ATOM 152 C VAL A 11 1.960 -3.898 -14.912 1.00 0.00 C ATOM 153 O VAL A 11 2.137 -4.069 -16.117 1.00 0.00 O ATOM 154 CB VAL A 11 2.532 -6.112 -13.830 1.00 0.00 C ATOM 155 CG1 VAL A 11 2.760 -6.805 -15.172 1.00 0.00 C ATOM 156 CG2 VAL A 11 3.434 -6.804 -12.809 1.00 0.00 C ATOM 0 H VAL A 11 1.791 -4.072 -12.183 1.00 0.00 H new ATOM 0 HA VAL A 11 3.886 -4.483 -14.250 1.00 0.00 H new ATOM 0 HB VAL A 11 1.482 -6.188 -13.547 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.517 -7.864 -15.081 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.122 -6.350 -15.930 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.804 -6.697 -15.465 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.190 -7.866 -12.768 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.477 -6.682 -13.103 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.280 -6.358 -11.826 1.00 0.00 H new ATOM 166 N THR A 12 0.997 -3.100 -14.438 1.00 0.00 N ATOM 167 CA THR A 12 0.044 -2.436 -15.321 1.00 0.00 C ATOM 168 C THR A 12 0.079 -0.916 -15.176 1.00 0.00 C ATOM 169 O THR A 12 -0.373 -0.201 -16.070 1.00 0.00 O ATOM 170 CB THR A 12 -1.356 -2.997 -15.045 1.00 0.00 C ATOM 171 OG1 THR A 12 -2.257 -2.533 -16.031 1.00 0.00 O ATOM 172 CG2 THR A 12 -1.875 -2.594 -13.665 1.00 0.00 C ATOM 0 H THR A 12 0.861 -2.901 -13.447 1.00 0.00 H new ATOM 0 HA THR A 12 0.322 -2.641 -16.355 1.00 0.00 H new ATOM 0 HB THR A 12 -1.284 -4.084 -15.074 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.151 -2.894 -15.853 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.869 -3.014 -13.513 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.200 -2.973 -12.898 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.926 -1.507 -13.599 1.00 0.00 H new ATOM 180 N SER A 13 0.615 -0.417 -14.059 1.00 0.00 N ATOM 181 CA SER A 13 0.697 1.014 -13.805 1.00 0.00 C ATOM 182 C SER A 13 2.008 1.421 -13.138 1.00 0.00 C ATOM 183 O SER A 13 2.384 2.593 -13.182 1.00 0.00 O ATOM 184 CB SER A 13 -0.457 1.383 -12.883 1.00 0.00 C ATOM 185 OG SER A 13 -1.684 1.329 -13.574 1.00 0.00 O ATOM 0 H SER A 13 1.001 -0.995 -13.312 1.00 0.00 H new ATOM 0 HA SER A 13 0.648 1.536 -14.761 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.482 0.701 -12.033 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.303 2.385 -12.483 1.00 0.00 H new ATOM 0 HG SER A 13 -2.413 1.568 -12.965 1.00 0.00 H new ATOM 191 N GLY A 14 2.711 0.471 -12.522 1.00 0.00 N ATOM 192 CA GLY A 14 3.993 0.709 -11.879 1.00 0.00 C ATOM 193 C GLY A 14 3.832 1.018 -10.393 1.00 0.00 C ATOM 194 O GLY A 14 2.732 0.931 -9.842 1.00 0.00 O ATOM 0 H GLY A 14 2.397 -0.497 -12.457 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.629 -0.167 -12.001 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.498 1.541 -12.371 1.00 0.00 H new ATOM 198 N LEU A 15 4.939 1.384 -9.742 1.00 0.00 N ATOM 199 CA LEU A 15 4.968 1.643 -8.308 1.00 0.00 C ATOM 200 C LEU A 15 4.018 2.770 -7.913 1.00 0.00 C ATOM 201 O LEU A 15 3.522 2.789 -6.787 1.00 0.00 O ATOM 202 CB LEU A 15 6.411 1.997 -7.927 1.00 0.00 C ATOM 203 CG LEU A 15 6.548 2.411 -6.459 1.00 0.00 C ATOM 204 CD1 LEU A 15 6.090 1.301 -5.516 1.00 0.00 C ATOM 205 CD2 LEU A 15 8.013 2.721 -6.163 1.00 0.00 C ATOM 0 H LEU A 15 5.842 1.508 -10.200 1.00 0.00 H new ATOM 0 HA LEU A 15 4.633 0.754 -7.773 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.055 1.139 -8.120 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.762 2.809 -8.564 1.00 0.00 H new ATOM 0 HG LEU A 15 5.919 3.287 -6.297 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.202 1.632 -4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.043 1.067 -5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.697 0.411 -5.680 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.119 3.017 -5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.618 1.834 -6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.350 3.534 -6.806 1.00 0.00 H new ATOM 217 N THR A 16 3.752 3.712 -8.820 1.00 0.00 N ATOM 218 CA THR A 16 2.890 4.851 -8.524 1.00 0.00 C ATOM 219 C THR A 16 1.482 4.389 -8.148 1.00 0.00 C ATOM 220 O THR A 16 0.855 4.993 -7.285 1.00 0.00 O ATOM 221 CB THR A 16 2.837 5.779 -9.741 1.00 0.00 C ATOM 222 OG1 THR A 16 4.147 6.079 -10.166 1.00 0.00 O ATOM 223 CG2 THR A 16 2.123 7.085 -9.400 1.00 0.00 C ATOM 0 H THR A 16 4.125 3.705 -9.769 1.00 0.00 H new ATOM 0 HA THR A 16 3.303 5.391 -7.672 1.00 0.00 H new ATOM 0 HB THR A 16 2.289 5.268 -10.533 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.110 6.671 -10.946 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.098 7.727 -10.281 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.104 6.869 -9.080 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.656 7.592 -8.596 1.00 0.00 H new ATOM 231 N ALA A 17 0.980 3.324 -8.780 1.00 0.00 N ATOM 232 CA ALA A 17 -0.354 2.828 -8.478 1.00 0.00 C ATOM 233 C ALA A 17 -0.329 1.919 -7.257 1.00 0.00 C ATOM 234 O ALA A 17 -1.310 1.843 -6.524 1.00 0.00 O ATOM 235 CB ALA A 17 -0.904 2.089 -9.697 1.00 0.00 C ATOM 0 H ALA A 17 1.477 2.796 -9.497 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.006 3.670 -8.247 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.904 1.715 -9.475 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.951 2.772 -10.545 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.250 1.252 -9.941 1.00 0.00 H new ATOM 241 N CYS A 18 0.792 1.224 -7.034 1.00 0.00 N ATOM 242 CA CYS A 18 0.951 0.380 -5.862 1.00 0.00 C ATOM 243 C CYS A 18 1.019 1.255 -4.610 1.00 0.00 C ATOM 244 O CYS A 18 0.585 0.848 -3.538 1.00 0.00 O ATOM 245 CB CYS A 18 2.218 -0.462 -6.041 1.00 0.00 C ATOM 246 SG CYS A 18 2.649 -1.516 -4.629 1.00 0.00 S ATOM 0 H CYS A 18 1.600 1.235 -7.656 1.00 0.00 H new ATOM 0 HA CYS A 18 0.101 -0.293 -5.745 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.094 -1.093 -6.921 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.054 0.207 -6.243 1.00 0.00 H new ATOM 251 N ARG A 19 1.563 2.472 -4.745 1.00 0.00 N ATOM 252 CA ARG A 19 1.663 3.408 -3.635 1.00 0.00 C ATOM 253 C ARG A 19 0.336 4.122 -3.401 1.00 0.00 C ATOM 254 O ARG A 19 -0.031 4.379 -2.259 1.00 0.00 O ATOM 255 CB ARG A 19 2.782 4.402 -3.944 1.00 0.00 C ATOM 256 CG ARG A 19 3.136 5.216 -2.701 1.00 0.00 C ATOM 257 CD ARG A 19 4.301 6.153 -3.004 1.00 0.00 C ATOM 258 NE ARG A 19 4.691 6.904 -1.803 1.00 0.00 N ATOM 259 CZ ARG A 19 4.323 8.160 -1.540 1.00 0.00 C ATOM 260 NH1 ARG A 19 3.542 8.836 -2.376 1.00 0.00 N ATOM 261 NH2 ARG A 19 4.738 8.749 -0.423 1.00 0.00 N ATOM 0 H ARG A 19 1.942 2.826 -5.623 1.00 0.00 H new ATOM 0 HA ARG A 19 1.897 2.870 -2.716 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.663 3.867 -4.298 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.471 5.070 -4.747 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.270 5.793 -2.375 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.400 4.547 -1.882 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.151 5.577 -3.371 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.020 6.846 -3.797 1.00 0.00 H new ATOM 0 HE ARG A 19 5.285 6.432 -1.122 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.213 8.396 -3.235 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.271 9.795 -2.158 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.335 8.241 0.230 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.459 9.709 -0.218 1.00 0.00 H new ATOM 275 N ASN A 20 -0.380 4.438 -4.481 1.00 0.00 N ATOM 276 CA ASN A 20 -1.673 5.093 -4.382 1.00 0.00 C ATOM 277 C ASN A 20 -2.748 4.129 -3.872 1.00 0.00 C ATOM 278 O ASN A 20 -3.793 4.572 -3.402 1.00 0.00 O ATOM 279 CB ASN A 20 -2.064 5.660 -5.750 1.00 0.00 C ATOM 280 CG ASN A 20 -1.163 6.808 -6.188 1.00 0.00 C ATOM 281 OD1 ASN A 20 -0.361 7.325 -5.415 1.00 0.00 O ATOM 282 ND2 ASN A 20 -1.294 7.219 -7.447 1.00 0.00 N ATOM 0 H ASN A 20 -0.079 4.247 -5.437 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.596 5.907 -3.662 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.021 4.865 -6.494 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.097 6.007 -5.714 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.718 7.985 -7.796 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.970 6.768 -8.063 1.00 0.00 H new ATOM 289 N HIS A 21 -2.502 2.817 -3.956 1.00 0.00 N ATOM 290 CA HIS A 21 -3.435 1.822 -3.439 1.00 0.00 C ATOM 291 C HIS A 21 -3.157 1.541 -1.964 1.00 0.00 C ATOM 292 O HIS A 21 -4.085 1.311 -1.193 1.00 0.00 O ATOM 293 CB HIS A 21 -3.309 0.552 -4.273 1.00 0.00 C ATOM 294 CG HIS A 21 -4.284 -0.519 -3.867 1.00 0.00 C ATOM 295 ND1 HIS A 21 -5.640 -0.525 -4.095 1.00 0.00 N ATOM 296 CD2 HIS A 21 -3.979 -1.673 -3.198 1.00 0.00 C ATOM 297 CE1 HIS A 21 -6.131 -1.665 -3.584 1.00 0.00 C ATOM 298 NE2 HIS A 21 -5.159 -2.404 -3.025 1.00 0.00 N ATOM 0 H HIS A 21 -1.661 2.423 -4.379 1.00 0.00 H new ATOM 0 HA HIS A 21 -4.455 2.200 -3.512 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -3.464 0.797 -5.324 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -2.294 0.164 -4.183 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.996 -1.969 -2.861 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -7.172 -1.951 -3.618 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -5.260 -3.311 -2.569 1.00 0.00 H new ATOM 306 N CYS A 22 -1.881 1.559 -1.564 1.00 0.00 N ATOM 307 CA CYS A 22 -1.508 1.346 -0.173 1.00 0.00 C ATOM 308 C CYS A 22 -1.799 2.579 0.684 1.00 0.00 C ATOM 309 O CYS A 22 -2.052 2.444 1.879 1.00 0.00 O ATOM 310 CB CYS A 22 -0.021 1.003 -0.101 1.00 0.00 C ATOM 311 SG CYS A 22 0.433 -0.606 -0.800 1.00 0.00 S ATOM 0 H CYS A 22 -1.092 1.720 -2.190 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.104 0.523 0.221 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.540 1.779 -0.621 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.292 1.029 0.943 1.00 0.00 H new ATOM 316 N ARG A 23 -1.768 3.778 0.090 1.00 0.00 N ATOM 317 CA ARG A 23 -2.055 5.021 0.805 1.00 0.00 C ATOM 318 C ARG A 23 -3.554 5.301 0.885 1.00 0.00 C ATOM 319 O ARG A 23 -3.964 6.337 1.407 1.00 0.00 O ATOM 320 CB ARG A 23 -1.299 6.185 0.162 1.00 0.00 C ATOM 321 CG ARG A 23 0.193 6.067 0.475 1.00 0.00 C ATOM 322 CD ARG A 23 0.986 7.207 -0.169 1.00 0.00 C ATOM 323 NE ARG A 23 0.507 8.526 0.271 1.00 0.00 N ATOM 324 CZ ARG A 23 0.822 9.111 1.429 1.00 0.00 C ATOM 325 NH1 ARG A 23 1.606 8.505 2.320 1.00 0.00 N ATOM 326 NH2 ARG A 23 0.351 10.322 1.706 1.00 0.00 N ATOM 0 H ARG A 23 -1.544 3.911 -0.896 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.706 4.908 1.831 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.455 6.181 -0.917 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.685 7.133 0.537 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.343 6.081 1.555 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.568 5.110 0.113 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.041 7.102 0.082 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.908 7.136 -1.254 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.115 9.034 -0.358 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.978 7.576 2.123 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.834 8.970 3.199 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.249 10.802 1.035 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.589 10.772 2.590 1.00 0.00 H new ATOM 340 N SER A 24 -4.367 4.379 0.375 1.00 0.00 N ATOM 341 CA SER A 24 -5.818 4.449 0.444 1.00 0.00 C ATOM 342 C SER A 24 -6.327 3.154 1.063 1.00 0.00 C ATOM 343 O SER A 24 -5.595 2.168 1.128 1.00 0.00 O ATOM 344 CB SER A 24 -6.401 4.662 -0.952 1.00 0.00 C ATOM 345 OG SER A 24 -5.988 5.913 -1.457 1.00 0.00 O ATOM 0 H SER A 24 -4.025 3.547 -0.107 1.00 0.00 H new ATOM 0 HA SER A 24 -6.131 5.292 1.060 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.073 3.864 -1.619 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.489 4.617 -0.912 1.00 0.00 H new ATOM 0 HG SER A 24 -5.274 5.781 -2.115 1.00 0.00 H new ATOM 351 N CYS A 25 -7.578 3.136 1.521 1.00 0.00 N ATOM 352 CA CYS A 25 -8.107 1.945 2.163 1.00 0.00 C ATOM 353 C CYS A 25 -8.326 0.844 1.129 1.00 0.00 C ATOM 354 O CYS A 25 -8.891 1.085 0.063 1.00 0.00 O ATOM 355 CB CYS A 25 -9.383 2.282 2.930 1.00 0.00 C ATOM 356 SG CYS A 25 -9.161 3.631 4.117 1.00 0.00 S ATOM 0 H CYS A 25 -8.229 3.919 1.459 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.384 1.570 2.888 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -10.165 2.554 2.221 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -9.728 1.393 3.459 1.00 0.00 H new ATOM 361 N HIS A 26 -7.872 -0.369 1.460 1.00 0.00 N ATOM 362 CA HIS A 26 -7.977 -1.526 0.584 1.00 0.00 C ATOM 363 C HIS A 26 -8.210 -2.770 1.431 1.00 0.00 C ATOM 364 O HIS A 26 -8.049 -2.728 2.652 1.00 0.00 O ATOM 365 CB HIS A 26 -6.683 -1.636 -0.224 1.00 0.00 C ATOM 366 CG HIS A 26 -5.469 -1.622 0.665 1.00 0.00 C ATOM 367 ND1 HIS A 26 -4.702 -0.515 0.959 1.00 0.00 N ATOM 368 CD2 HIS A 26 -4.949 -2.695 1.333 1.00 0.00 C ATOM 369 CE1 HIS A 26 -3.727 -0.907 1.804 1.00 0.00 C ATOM 370 NE2 HIS A 26 -3.865 -2.224 2.046 1.00 0.00 N ATOM 0 H HIS A 26 -7.419 -0.570 2.351 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.815 -1.424 -0.106 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -6.696 -2.556 -0.808 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.625 -0.810 -0.932 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -4.846 0.430 0.602 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -5.314 -3.711 1.308 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.961 -0.269 2.219 1.00 0.00 H new ATOM 379 N ARG A 27 -8.588 -3.882 0.798 1.00 0.00 N ATOM 380 CA ARG A 27 -8.878 -5.113 1.518 1.00 0.00 C ATOM 381 C ARG A 27 -7.581 -5.799 1.949 1.00 0.00 C ATOM 382 O ARG A 27 -6.716 -6.072 1.116 1.00 0.00 O ATOM 383 CB ARG A 27 -9.741 -6.012 0.626 1.00 0.00 C ATOM 384 CG ARG A 27 -10.791 -6.803 1.415 1.00 0.00 C ATOM 385 CD ARG A 27 -10.162 -7.733 2.448 1.00 0.00 C ATOM 386 NE ARG A 27 -11.185 -8.539 3.124 1.00 0.00 N ATOM 387 CZ ARG A 27 -10.938 -9.690 3.750 1.00 0.00 C ATOM 388 NH1 ARG A 27 -9.705 -10.188 3.801 1.00 0.00 N ATOM 389 NH2 ARG A 27 -11.933 -10.353 4.332 1.00 0.00 N ATOM 0 H ARG A 27 -8.699 -3.950 -0.214 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.434 -4.896 2.430 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.242 -5.399 -0.123 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.097 -6.708 0.089 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.464 -6.108 1.917 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -11.396 -7.389 0.723 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.441 -8.389 1.960 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.612 -7.146 3.184 1.00 0.00 H new ATOM 0 HE ARG A 27 -12.146 -8.197 3.114 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.934 -9.688 3.358 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.531 -11.070 4.283 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.882 -9.981 4.299 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.747 -11.234 4.812 1.00 0.00 H new ATOM 403 N GLY A 28 -7.449 -6.071 3.248 1.00 0.00 N ATOM 404 CA GLY A 28 -6.304 -6.765 3.816 1.00 0.00 C ATOM 405 C GLY A 28 -6.522 -8.276 3.835 1.00 0.00 C ATOM 406 O GLY A 28 -7.341 -8.802 3.086 1.00 0.00 O ATOM 0 H GLY A 28 -8.149 -5.809 3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.411 -6.532 3.236 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.127 -6.409 4.831 1.00 0.00 H new ATOM 410 N ASP A 29 -5.785 -8.979 4.700 1.00 0.00 N ATOM 411 CA ASP A 29 -5.861 -10.431 4.786 1.00 0.00 C ATOM 412 C ASP A 29 -7.007 -10.895 5.688 1.00 0.00 C ATOM 413 O ASP A 29 -7.448 -12.037 5.586 1.00 0.00 O ATOM 414 CB ASP A 29 -4.521 -10.946 5.311 1.00 0.00 C ATOM 415 CG ASP A 29 -4.458 -12.471 5.299 1.00 0.00 C ATOM 416 OD1 ASP A 29 -4.458 -13.036 4.182 1.00 0.00 O ATOM 417 OD2 ASP A 29 -4.412 -13.056 6.402 1.00 0.00 O ATOM 0 H ASP A 29 -5.125 -8.557 5.353 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.065 -10.836 3.795 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.712 -10.544 4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.365 -10.583 6.327 1.00 0.00 H new ATOM 422 N VAL A 30 -7.494 -10.017 6.572 1.00 0.00 N ATOM 423 CA VAL A 30 -8.559 -10.356 7.512 1.00 0.00 C ATOM 424 C VAL A 30 -9.634 -9.265 7.566 1.00 0.00 C ATOM 425 O VAL A 30 -10.711 -9.478 8.120 1.00 0.00 O ATOM 426 CB VAL A 30 -7.924 -10.609 8.885 1.00 0.00 C ATOM 427 CG1 VAL A 30 -7.324 -9.331 9.476 1.00 0.00 C ATOM 428 CG2 VAL A 30 -8.937 -11.183 9.870 1.00 0.00 C ATOM 0 H VAL A 30 -7.160 -9.057 6.653 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.071 -11.259 7.180 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.126 -11.334 8.726 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.884 -9.552 10.449 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.553 -8.948 8.807 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.107 -8.582 9.594 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.454 -11.350 10.833 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.761 -10.481 9.995 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.321 -12.129 9.487 1.00 0.00 H new ATOM 438 N GLY A 31 -9.351 -8.096 6.989 1.00 0.00 N ATOM 439 CA GLY A 31 -10.271 -6.972 6.974 1.00 0.00 C ATOM 440 C GLY A 31 -9.639 -5.793 6.241 1.00 0.00 C ATOM 441 O GLY A 31 -8.478 -5.867 5.847 1.00 0.00 O ATOM 0 H GLY A 31 -8.467 -7.907 6.516 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.202 -7.259 6.484 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.523 -6.684 7.994 1.00 0.00 H new ATOM 445 N CYS A 32 -10.383 -4.702 6.050 1.00 0.00 N ATOM 446 CA CYS A 32 -9.853 -3.560 5.323 1.00 0.00 C ATOM 447 C CYS A 32 -8.845 -2.775 6.155 1.00 0.00 C ATOM 448 O CYS A 32 -9.013 -2.606 7.364 1.00 0.00 O ATOM 449 CB CYS A 32 -10.985 -2.673 4.820 1.00 0.00 C ATOM 450 SG CYS A 32 -11.930 -3.431 3.476 1.00 0.00 S ATOM 0 H CYS A 32 -11.340 -4.590 6.385 1.00 0.00 H new ATOM 0 HA CYS A 32 -9.312 -3.938 4.455 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -11.657 -2.447 5.647 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -10.572 -1.725 4.477 1.00 0.00 H new ATOM 455 N VAL A 33 -7.791 -2.297 5.487 1.00 0.00 N ATOM 456 CA VAL A 33 -6.699 -1.562 6.107 1.00 0.00 C ATOM 457 C VAL A 33 -6.208 -0.448 5.189 1.00 0.00 C ATOM 458 O VAL A 33 -6.557 -0.399 4.009 1.00 0.00 O ATOM 459 CB VAL A 33 -5.532 -2.504 6.438 1.00 0.00 C ATOM 460 CG1 VAL A 33 -5.933 -3.522 7.502 1.00 0.00 C ATOM 461 CG2 VAL A 33 -5.042 -3.246 5.195 1.00 0.00 C ATOM 0 H VAL A 33 -7.676 -2.416 4.480 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.075 -1.121 7.030 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.723 -1.882 6.820 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.088 -4.176 7.717 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.228 -3.000 8.412 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.770 -4.118 7.138 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.216 -3.904 5.466 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.857 -3.839 4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.703 -2.525 4.451 1.00 0.00 H new ATOM 471 N ARG A 34 -5.388 0.445 5.746 1.00 0.00 N ATOM 472 CA ARG A 34 -4.746 1.541 5.030 1.00 0.00 C ATOM 473 C ARG A 34 -3.319 1.662 5.548 1.00 0.00 C ATOM 474 O ARG A 34 -3.095 1.446 6.733 1.00 0.00 O ATOM 475 CB ARG A 34 -5.542 2.835 5.239 1.00 0.00 C ATOM 476 CG ARG A 34 -5.773 3.114 6.727 1.00 0.00 C ATOM 477 CD ARG A 34 -6.599 4.383 6.919 1.00 0.00 C ATOM 478 NE ARG A 34 -7.038 4.504 8.314 1.00 0.00 N ATOM 479 CZ ARG A 34 -7.356 5.656 8.909 1.00 0.00 C ATOM 480 NH1 ARG A 34 -7.292 6.808 8.248 1.00 0.00 N ATOM 481 NH2 ARG A 34 -7.745 5.653 10.180 1.00 0.00 N ATOM 0 H ARG A 34 -5.147 0.422 6.737 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.721 1.351 3.957 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.006 3.671 4.789 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.502 2.760 4.728 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.286 2.268 7.185 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.814 3.218 7.235 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.007 5.255 6.641 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.466 4.363 6.259 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.105 3.649 8.867 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.997 6.820 7.272 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.538 7.680 8.717 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.799 4.774 10.695 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.989 6.530 10.641 1.00 0.00 H new ATOM 495 N CYS A 35 -2.362 1.998 4.682 1.00 0.00 N ATOM 496 CA CYS A 35 -0.952 2.022 5.043 1.00 0.00 C ATOM 497 C CYS A 35 -0.317 3.383 4.735 1.00 0.00 C ATOM 498 O CYS A 35 -1.006 4.328 4.355 1.00 0.00 O ATOM 499 CB CYS A 35 -0.224 0.914 4.286 1.00 0.00 C ATOM 500 SG CYS A 35 -0.887 -0.766 4.459 1.00 0.00 S ATOM 0 H CYS A 35 -2.546 2.260 3.714 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.864 1.857 6.117 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.222 1.171 3.227 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.815 0.905 4.614 1.00 0.00 H new ATOM 505 N SER A 36 1.006 3.478 4.905 1.00 0.00 N ATOM 506 CA SER A 36 1.733 4.736 4.762 1.00 0.00 C ATOM 507 C SER A 36 2.501 4.841 3.444 1.00 0.00 C ATOM 508 O SER A 36 2.596 5.923 2.869 1.00 0.00 O ATOM 509 CB SER A 36 2.698 4.867 5.937 1.00 0.00 C ATOM 510 OG SER A 36 3.252 6.165 5.960 1.00 0.00 O ATOM 0 H SER A 36 1.599 2.684 5.145 1.00 0.00 H new ATOM 0 HA SER A 36 1.004 5.546 4.755 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.175 4.669 6.873 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.492 4.125 5.852 1.00 0.00 H new ATOM 0 HG SER A 36 3.869 6.244 6.717 1.00 0.00 H new ATOM 516 N ASN A 37 3.054 3.727 2.958 1.00 0.00 N ATOM 517 CA ASN A 37 3.866 3.722 1.745 1.00 0.00 C ATOM 518 C ASN A 37 3.789 2.349 1.076 1.00 0.00 C ATOM 519 O ASN A 37 3.053 1.478 1.541 1.00 0.00 O ATOM 520 CB ASN A 37 5.306 4.098 2.129 1.00 0.00 C ATOM 521 CG ASN A 37 6.153 4.502 0.929 1.00 0.00 C ATOM 522 OD1 ASN A 37 5.635 4.733 -0.159 1.00 0.00 O ATOM 523 ND2 ASN A 37 7.464 4.583 1.119 1.00 0.00 N ATOM 0 H ASN A 37 2.951 2.810 3.393 1.00 0.00 H new ATOM 0 HA ASN A 37 3.496 4.451 1.024 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.283 4.920 2.844 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.776 3.252 2.631 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.076 4.845 0.346 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.859 4.384 2.038 1.00 0.00 H new ATOM 530 N ALA A 38 4.535 2.140 -0.014 1.00 0.00 N ATOM 531 CA ALA A 38 4.532 0.885 -0.746 1.00 0.00 C ATOM 532 C ALA A 38 5.839 0.672 -1.503 1.00 0.00 C ATOM 533 O ALA A 38 6.655 1.584 -1.640 1.00 0.00 O ATOM 534 CB ALA A 38 3.383 0.902 -1.748 1.00 0.00 C ATOM 0 H ALA A 38 5.158 2.845 -0.409 1.00 0.00 H new ATOM 0 HA ALA A 38 4.416 0.073 -0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.371 -0.036 -2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.439 1.021 -1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.517 1.733 -2.441 1.00 0.00 H new ATOM 540 N GLN A 39 6.023 -0.553 -2.000 1.00 0.00 N ATOM 541 CA GLN A 39 7.130 -0.917 -2.869 1.00 0.00 C ATOM 542 C GLN A 39 6.718 -2.098 -3.744 1.00 0.00 C ATOM 543 O GLN A 39 5.737 -2.781 -3.452 1.00 0.00 O ATOM 544 CB GLN A 39 8.370 -1.263 -2.042 1.00 0.00 C ATOM 545 CG GLN A 39 8.127 -2.477 -1.149 1.00 0.00 C ATOM 546 CD GLN A 39 9.411 -2.915 -0.459 1.00 0.00 C ATOM 547 OE1 GLN A 39 9.945 -3.984 -0.750 1.00 0.00 O ATOM 548 NE2 GLN A 39 9.923 -2.101 0.458 1.00 0.00 N ATOM 0 H GLN A 39 5.392 -1.330 -1.803 1.00 0.00 H new ATOM 0 HA GLN A 39 7.380 -0.070 -3.508 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.209 -1.463 -2.709 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.648 -0.407 -1.427 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.372 -2.237 -0.401 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.733 -3.299 -1.747 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.456 -1.221 0.677 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.783 -2.356 0.943 1.00 0.00 H new ATOM 557 N CYS A 40 7.467 -2.343 -4.819 1.00 0.00 N ATOM 558 CA CYS A 40 7.233 -3.491 -5.677 1.00 0.00 C ATOM 559 C CYS A 40 8.139 -4.639 -5.233 1.00 0.00 C ATOM 560 O CYS A 40 9.284 -4.415 -4.840 1.00 0.00 O ATOM 561 CB CYS A 40 7.455 -3.112 -7.143 1.00 0.00 C ATOM 562 SG CYS A 40 6.318 -1.845 -7.770 1.00 0.00 S ATOM 0 H CYS A 40 8.245 -1.753 -5.113 1.00 0.00 H new ATOM 0 HA CYS A 40 6.198 -3.821 -5.589 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.478 -2.756 -7.263 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.356 -4.008 -7.756 1.00 0.00 H new ATOM 567 N THR A 41 7.625 -5.867 -5.293 1.00 0.00 N ATOM 568 CA THR A 41 8.326 -7.053 -4.826 1.00 0.00 C ATOM 569 C THR A 41 8.262 -8.173 -5.861 1.00 0.00 C ATOM 570 O THR A 41 7.673 -8.009 -6.928 1.00 0.00 O ATOM 571 CB THR A 41 7.724 -7.513 -3.494 1.00 0.00 C ATOM 572 OG1 THR A 41 6.349 -7.789 -3.656 1.00 0.00 O ATOM 573 CG2 THR A 41 7.886 -6.432 -2.430 1.00 0.00 C ATOM 0 H THR A 41 6.699 -6.064 -5.672 1.00 0.00 H new ATOM 0 HA THR A 41 9.376 -6.802 -4.677 1.00 0.00 H new ATOM 0 HB THR A 41 8.250 -8.414 -3.177 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.851 -7.426 -2.894 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.452 -6.777 -1.491 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.945 -6.221 -2.284 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.376 -5.524 -2.753 1.00 0.00 H new ATOM 581 N GLY A 42 8.870 -9.316 -5.534 1.00 0.00 N ATOM 582 CA GLY A 42 8.929 -10.467 -6.418 1.00 0.00 C ATOM 583 C GLY A 42 10.277 -10.547 -7.131 1.00 0.00 C ATOM 584 O GLY A 42 11.130 -9.673 -6.974 1.00 0.00 O ATOM 0 H GLY A 42 9.337 -9.463 -4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.764 -11.379 -5.844 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.128 -10.405 -7.155 1.00 0.00 H new ATOM 588 N PHE A 43 10.467 -11.603 -7.926 1.00 0.00 N ATOM 589 CA PHE A 43 11.718 -11.853 -8.627 1.00 0.00 C ATOM 590 C PHE A 43 11.952 -10.849 -9.758 1.00 0.00 C ATOM 591 O PHE A 43 13.082 -10.689 -10.216 1.00 0.00 O ATOM 592 CB PHE A 43 11.686 -13.284 -9.170 1.00 0.00 C ATOM 593 CG PHE A 43 12.901 -13.674 -9.985 1.00 0.00 C ATOM 594 CD1 PHE A 43 14.173 -13.680 -9.392 1.00 0.00 C ATOM 595 CD2 PHE A 43 12.753 -14.035 -11.332 1.00 0.00 C ATOM 596 CE1 PHE A 43 15.294 -14.040 -10.150 1.00 0.00 C ATOM 597 CE2 PHE A 43 13.875 -14.393 -12.090 1.00 0.00 C ATOM 598 CZ PHE A 43 15.145 -14.396 -11.498 1.00 0.00 C ATOM 0 H PHE A 43 9.751 -12.309 -8.099 1.00 0.00 H new ATOM 0 HA PHE A 43 12.547 -11.731 -7.930 1.00 0.00 H new ATOM 0 HB2 PHE A 43 11.589 -13.975 -8.332 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.796 -13.405 -9.788 1.00 0.00 H new ATOM 0 HD1 PHE A 43 14.287 -13.408 -8.353 1.00 0.00 H new ATOM 0 HD2 PHE A 43 11.773 -14.037 -11.785 1.00 0.00 H new ATOM 0 HE1 PHE A 43 16.274 -14.043 -9.696 1.00 0.00 H new ATOM 0 HE2 PHE A 43 13.762 -14.666 -13.129 1.00 0.00 H new ATOM 0 HZ PHE A 43 16.011 -14.673 -12.081 1.00 0.00 H new ATOM 608 N LEU A 44 10.893 -10.170 -10.209 1.00 0.00 N ATOM 609 CA LEU A 44 10.970 -9.212 -11.308 1.00 0.00 C ATOM 610 C LEU A 44 10.196 -7.926 -10.985 1.00 0.00 C ATOM 611 O LEU A 44 9.926 -7.130 -11.883 1.00 0.00 O ATOM 612 CB LEU A 44 10.447 -9.866 -12.593 1.00 0.00 C ATOM 613 CG LEU A 44 11.334 -11.018 -13.077 1.00 0.00 C ATOM 614 CD1 LEU A 44 10.655 -11.713 -14.253 1.00 0.00 C ATOM 615 CD2 LEU A 44 12.699 -10.512 -13.544 1.00 0.00 C ATOM 0 H LEU A 44 9.956 -10.272 -9.818 1.00 0.00 H new ATOM 0 HA LEU A 44 12.012 -8.928 -11.453 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.437 -10.239 -12.420 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.379 -9.112 -13.377 1.00 0.00 H new ATOM 0 HG LEU A 44 11.478 -11.705 -12.243 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.282 -12.534 -14.602 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.688 -12.104 -13.936 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.509 -10.998 -15.063 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.303 -11.354 -13.881 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.565 -9.810 -14.367 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.203 -10.011 -12.718 1.00 0.00 H new ATOM 627 N GLY A 45 9.833 -7.713 -9.715 1.00 0.00 N ATOM 628 CA GLY A 45 9.085 -6.528 -9.313 1.00 0.00 C ATOM 629 C GLY A 45 7.626 -6.594 -9.769 1.00 0.00 C ATOM 630 O GLY A 45 6.937 -5.577 -9.777 1.00 0.00 O ATOM 0 H GLY A 45 10.049 -8.352 -8.949 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.122 -6.425 -8.228 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.557 -5.640 -9.734 1.00 0.00 H new ATOM 634 N THR A 46 7.154 -7.786 -10.153 1.00 0.00 N ATOM 635 CA THR A 46 5.812 -7.988 -10.689 1.00 0.00 C ATOM 636 C THR A 46 4.737 -8.071 -9.605 1.00 0.00 C ATOM 637 O THR A 46 3.586 -8.396 -9.906 1.00 0.00 O ATOM 638 CB THR A 46 5.795 -9.239 -11.569 1.00 0.00 C ATOM 639 OG1 THR A 46 6.318 -10.328 -10.840 1.00 0.00 O ATOM 640 CG2 THR A 46 6.638 -9.019 -12.824 1.00 0.00 C ATOM 0 H THR A 46 7.703 -8.644 -10.098 1.00 0.00 H new ATOM 0 HA THR A 46 5.566 -7.111 -11.288 1.00 0.00 H new ATOM 0 HB THR A 46 4.768 -9.448 -11.867 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.307 -11.132 -11.400 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.616 -9.918 -13.440 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.234 -8.181 -13.391 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.667 -8.801 -12.538 1.00 0.00 H new ATOM 648 N THR A 47 5.090 -7.787 -8.347 1.00 0.00 N ATOM 649 CA THR A 47 4.155 -7.850 -7.227 1.00 0.00 C ATOM 650 C THR A 47 4.139 -6.519 -6.483 1.00 0.00 C ATOM 651 O THR A 47 5.112 -5.771 -6.533 1.00 0.00 O ATOM 652 CB THR A 47 4.546 -9.009 -6.304 1.00 0.00 C ATOM 653 OG1 THR A 47 4.623 -10.202 -7.052 1.00 0.00 O ATOM 654 CG2 THR A 47 3.528 -9.221 -5.187 1.00 0.00 C ATOM 0 H THR A 47 6.034 -7.507 -8.080 1.00 0.00 H new ATOM 0 HA THR A 47 3.146 -8.032 -7.596 1.00 0.00 H new ATOM 0 HB THR A 47 5.508 -8.756 -5.859 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.875 -10.943 -6.462 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.846 -10.052 -4.558 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.456 -8.316 -4.584 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.554 -9.446 -5.621 1.00 0.00 H new ATOM 662 N CYS A 48 3.034 -6.221 -5.791 1.00 0.00 N ATOM 663 CA CYS A 48 2.873 -4.998 -5.019 1.00 0.00 C ATOM 664 C CYS A 48 2.769 -5.327 -3.533 1.00 0.00 C ATOM 665 O CYS A 48 2.113 -6.299 -3.159 1.00 0.00 O ATOM 666 CB CYS A 48 1.629 -4.251 -5.514 1.00 0.00 C ATOM 667 SG CYS A 48 1.112 -2.842 -4.495 1.00 0.00 S ATOM 0 H CYS A 48 2.220 -6.834 -5.755 1.00 0.00 H new ATOM 0 HA CYS A 48 3.742 -4.355 -5.155 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.818 -3.895 -6.527 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.801 -4.958 -5.574 1.00 0.00 H new ATOM 672 N THR A 49 3.416 -4.516 -2.690 1.00 0.00 N ATOM 673 CA THR A 49 3.409 -4.707 -1.243 1.00 0.00 C ATOM 674 C THR A 49 3.366 -3.353 -0.540 1.00 0.00 C ATOM 675 O THR A 49 3.960 -2.390 -1.017 1.00 0.00 O ATOM 676 CB THR A 49 4.658 -5.493 -0.831 1.00 0.00 C ATOM 677 OG1 THR A 49 4.635 -6.766 -1.442 1.00 0.00 O ATOM 678 CG2 THR A 49 4.727 -5.695 0.680 1.00 0.00 C ATOM 0 H THR A 49 3.959 -3.709 -2.996 1.00 0.00 H new ATOM 0 HA THR A 49 2.524 -5.272 -0.950 1.00 0.00 H new ATOM 0 HB THR A 49 5.527 -4.917 -1.150 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.312 -7.340 -1.027 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.627 -6.256 0.931 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.754 -4.725 1.176 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.849 -6.248 1.014 1.00 0.00 H new ATOM 686 N CYS A 50 2.665 -3.275 0.593 1.00 0.00 N ATOM 687 CA CYS A 50 2.534 -2.042 1.353 1.00 0.00 C ATOM 688 C CYS A 50 3.540 -1.990 2.504 1.00 0.00 C ATOM 689 O CYS A 50 4.096 -3.011 2.905 1.00 0.00 O ATOM 690 CB CYS A 50 1.102 -1.894 1.868 1.00 0.00 C ATOM 691 SG CYS A 50 -0.187 -1.959 0.592 1.00 0.00 S ATOM 0 H CYS A 50 2.174 -4.068 1.005 1.00 0.00 H new ATOM 0 HA CYS A 50 2.755 -1.205 0.691 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.911 -2.683 2.596 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.019 -0.945 2.398 1.00 0.00 H new ATOM 696 N ILE A 51 3.769 -0.784 3.034 1.00 0.00 N ATOM 697 CA ILE A 51 4.715 -0.537 4.113 1.00 0.00 C ATOM 698 C ILE A 51 3.967 -0.216 5.404 1.00 0.00 C ATOM 699 O ILE A 51 2.907 0.412 5.374 1.00 0.00 O ATOM 700 CB ILE A 51 5.651 0.610 3.712 1.00 0.00 C ATOM 701 CG1 ILE A 51 6.420 0.301 2.417 1.00 0.00 C ATOM 702 CG2 ILE A 51 6.642 0.930 4.832 1.00 0.00 C ATOM 703 CD1 ILE A 51 7.302 -0.944 2.526 1.00 0.00 C ATOM 0 H ILE A 51 3.291 0.059 2.715 1.00 0.00 H new ATOM 0 HA ILE A 51 5.315 -1.430 4.290 1.00 0.00 H new ATOM 0 HB ILE A 51 5.018 1.480 3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.708 0.165 1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.042 1.158 2.157 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.293 1.747 4.520 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.096 1.224 5.728 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.245 0.048 5.047 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.818 -1.108 1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.036 -0.802 3.320 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.682 -1.810 2.756 1.00 0.00 H new ATOM 715 N ASN A 52 4.521 -0.642 6.540 1.00 0.00 N ATOM 716 CA ASN A 52 3.914 -0.434 7.846 1.00 0.00 C ATOM 717 C ASN A 52 4.036 1.028 8.300 1.00 0.00 C ATOM 718 O ASN A 52 4.930 1.743 7.844 1.00 0.00 O ATOM 719 CB ASN A 52 4.538 -1.415 8.850 1.00 0.00 C ATOM 720 CG ASN A 52 6.047 -1.262 9.020 1.00 0.00 C ATOM 721 OD1 ASN A 52 6.698 -0.481 8.332 1.00 0.00 O ATOM 722 ND2 ASN A 52 6.617 -2.021 9.951 1.00 0.00 N ATOM 0 H ASN A 52 5.409 -1.143 6.575 1.00 0.00 H new ATOM 0 HA ASN A 52 2.845 -0.636 7.785 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.059 -1.279 9.820 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.322 -2.434 8.528 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.623 -1.964 10.110 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.048 -2.660 10.506 1.00 0.00 H new ATOM 729 N PRO A 53 3.151 1.489 9.194 1.00 0.00 N ATOM 730 CA PRO A 53 2.032 0.753 9.752 1.00 0.00 C ATOM 731 C PRO A 53 0.890 0.634 8.746 1.00 0.00 C ATOM 732 O PRO A 53 0.857 1.337 7.740 1.00 0.00 O ATOM 733 CB PRO A 53 1.606 1.564 10.975 1.00 0.00 C ATOM 734 CG PRO A 53 1.909 2.993 10.541 1.00 0.00 C ATOM 735 CD PRO A 53 3.199 2.833 9.736 1.00 0.00 C ATOM 0 HA PRO A 53 2.304 -0.270 10.011 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.550 1.425 11.207 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.168 1.282 11.865 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.104 3.412 9.937 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.045 3.656 11.396 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.260 3.575 8.940 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.076 2.970 10.368 1.00 0.00 H new ATOM 743 N CYS A 54 -0.054 -0.269 9.034 1.00 0.00 N ATOM 744 CA CYS A 54 -1.228 -0.504 8.205 1.00 0.00 C ATOM 745 C CYS A 54 -2.475 -0.655 9.081 1.00 0.00 C ATOM 746 O CYS A 54 -3.046 -1.745 9.159 1.00 0.00 O ATOM 747 CB CYS A 54 -1.013 -1.758 7.356 1.00 0.00 C ATOM 748 SG CYS A 54 0.171 -1.609 5.992 1.00 0.00 S ATOM 0 H CYS A 54 -0.018 -0.863 9.863 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.377 0.350 7.544 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -0.680 -2.563 8.012 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.975 -2.061 6.943 1.00 0.00 H new ATOM 753 N PRO A 55 -2.912 0.420 9.755 1.00 0.00 N ATOM 754 CA PRO A 55 -4.079 0.415 10.626 1.00 0.00 C ATOM 755 C PRO A 55 -5.373 0.147 9.852 1.00 0.00 C ATOM 756 O PRO A 55 -5.394 0.167 8.622 1.00 0.00 O ATOM 757 CB PRO A 55 -4.097 1.804 11.275 1.00 0.00 C ATOM 758 CG PRO A 55 -3.384 2.677 10.247 1.00 0.00 C ATOM 759 CD PRO A 55 -2.303 1.735 9.723 1.00 0.00 C ATOM 0 HA PRO A 55 -4.019 -0.383 11.366 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.114 2.149 11.460 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.580 1.807 12.234 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.057 3.006 9.455 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.960 3.574 10.698 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.998 2.006 8.712 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.409 1.773 10.346 1.00 0.00 H new ATOM 767 N ARG A 56 -6.458 -0.105 10.596 1.00 0.00 N ATOM 768 CA ARG A 56 -7.771 -0.398 10.033 1.00 0.00 C ATOM 769 C ARG A 56 -8.398 0.838 9.392 1.00 0.00 C ATOM 770 O ARG A 56 -7.956 1.964 9.620 1.00 0.00 O ATOM 771 CB ARG A 56 -8.695 -0.941 11.133 1.00 0.00 C ATOM 772 CG ARG A 56 -8.235 -2.295 11.677 1.00 0.00 C ATOM 773 CD ARG A 56 -8.392 -3.397 10.625 1.00 0.00 C ATOM 774 NE ARG A 56 -7.948 -4.697 11.140 1.00 0.00 N ATOM 775 CZ ARG A 56 -8.727 -5.558 11.800 1.00 0.00 C ATOM 776 NH1 ARG A 56 -10.005 -5.280 12.037 1.00 0.00 N ATOM 777 NH2 ARG A 56 -8.225 -6.711 12.232 1.00 0.00 N ATOM 0 H ARG A 56 -6.443 -0.110 11.616 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.643 -1.149 9.253 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.740 -0.222 11.951 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.706 -1.038 10.737 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.192 -2.230 11.987 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.815 -2.550 12.564 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.436 -3.463 10.318 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.814 -3.139 9.737 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.976 -4.962 10.983 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.404 -4.399 11.713 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.587 -5.948 12.542 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.246 -6.937 12.059 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.819 -7.369 12.736 1.00 0.00 H new ATOM 791 N CYS A 57 -9.438 0.602 8.590 1.00 0.00 N ATOM 792 CA CYS A 57 -10.215 1.641 7.936 1.00 0.00 C ATOM 793 C CYS A 57 -11.662 1.184 7.768 1.00 0.00 C ATOM 794 O CYS A 57 -12.557 1.886 8.292 1.00 0.00 O ATOM 795 CB CYS A 57 -9.579 1.959 6.584 1.00 0.00 C ATOM 796 SG CYS A 57 -10.467 3.207 5.622 1.00 0.00 S ATOM 797 OXT CYS A 57 -11.864 0.133 7.118 1.00 0.00 O ATOM 0 H CYS A 57 -9.766 -0.340 8.376 1.00 0.00 H new ATOM 0 HA CYS A 57 -10.219 2.544 8.546 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.557 2.302 6.747 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -9.518 1.041 5.999 1.00 0.00 H new TER 802 CYS A 57