USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 365 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 ASP N :NH3+ -110:sc= 0.0723 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0662 USER MOD Single : A 6 ASN : amide:sc= 0.875 K(o=0.88,f=-5.2!) USER MOD Single : A 11 THR OG1 : rot 111:sc= 0.542 USER MOD Single : A 12 LYS NZ :NH3+ -113:sc= 0.362 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -127:sc= -0.0949 (180deg=-2.37!) USER MOD Single : A 16 TYR OH : rot -116:sc= -0.851 USER MOD Single : A 18 SER OG : rot -107:sc= 0.955 USER MOD Single : A 22 THR OG1 : rot 95:sc= 0.409 USER MOD Single : A 29 SER OG : rot -84:sc= 0.107 USER MOD Single : A 33 ASN : amide:sc= -4.44! K(o=-4.4!,f=-1.1) USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0281) USER MOD Single : A 40 ASN : amide:sc= -0.385 K(o=-0.38,f=-3.7!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 13.632 5.869 -12.604 1.00 0.00 N ATOM 2 CA ASP A 1 12.576 4.902 -12.184 1.00 0.00 C ATOM 3 C ASP A 1 11.226 5.288 -12.808 1.00 0.00 C ATOM 4 O ASP A 1 11.036 6.405 -13.251 1.00 0.00 O ATOM 5 CB ASP A 1 12.443 4.903 -10.641 1.00 0.00 C ATOM 6 CG ASP A 1 11.551 3.729 -10.183 1.00 0.00 C ATOM 7 OD1 ASP A 1 12.066 2.623 -10.199 1.00 0.00 O ATOM 8 OD2 ASP A 1 10.408 3.998 -9.845 1.00 0.00 O ATOM 0 H1 ASP A 1 14.293 5.400 -13.255 1.00 0.00 H new ATOM 0 H2 ASP A 1 13.190 6.679 -13.084 1.00 0.00 H new ATOM 0 H3 ASP A 1 14.150 6.203 -11.766 1.00 0.00 H new ATOM 0 HA ASP A 1 12.860 3.907 -12.525 1.00 0.00 H new ATOM 0 HB2 ASP A 1 13.429 4.820 -10.183 1.00 0.00 H new ATOM 0 HB3 ASP A 1 12.014 5.848 -10.306 1.00 0.00 H new ATOM 15 N ARG A 2 10.336 4.330 -12.814 1.00 0.00 N ATOM 16 CA ARG A 2 8.965 4.526 -13.382 1.00 0.00 C ATOM 17 C ARG A 2 7.934 3.895 -12.433 1.00 0.00 C ATOM 18 O ARG A 2 6.799 4.328 -12.385 1.00 0.00 O ATOM 19 CB ARG A 2 8.894 3.858 -14.781 1.00 0.00 C ATOM 20 CG ARG A 2 8.672 4.935 -15.872 1.00 0.00 C ATOM 21 CD ARG A 2 7.192 5.372 -15.887 1.00 0.00 C ATOM 22 NE ARG A 2 7.063 6.559 -16.784 1.00 0.00 N ATOM 23 CZ ARG A 2 5.889 6.907 -17.239 1.00 0.00 C ATOM 24 NH1 ARG A 2 4.998 7.374 -16.409 1.00 0.00 N ATOM 25 NH2 ARG A 2 5.646 6.773 -18.514 1.00 0.00 N ATOM 0 H ARG A 2 10.505 3.396 -12.440 1.00 0.00 H new ATOM 0 HA ARG A 2 8.747 5.589 -13.486 1.00 0.00 H new ATOM 0 HB2 ARG A 2 9.816 3.312 -14.980 1.00 0.00 H new ATOM 0 HB3 ARG A 2 8.082 3.131 -14.805 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.312 5.796 -15.681 1.00 0.00 H new ATOM 0 HG3 ARG A 2 8.953 4.539 -16.848 1.00 0.00 H new ATOM 0 HD2 ARG A 2 6.559 4.558 -16.241 1.00 0.00 H new ATOM 0 HD3 ARG A 2 6.859 5.620 -14.879 1.00 0.00 H new ATOM 0 HE ARG A 2 7.890 7.097 -17.041 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.222 7.464 -15.418 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.077 7.649 -16.751 1.00 0.00 H new ATOM 0 HH21 ARG A 2 6.366 6.403 -19.134 1.00 0.00 H new ATOM 0 HH22 ARG A 2 4.736 7.039 -18.890 1.00 0.00 H new ATOM 39 N ILE A 3 8.372 2.889 -11.717 1.00 0.00 N ATOM 40 CA ILE A 3 7.506 2.163 -10.740 1.00 0.00 C ATOM 41 C ILE A 3 7.541 2.945 -9.409 1.00 0.00 C ATOM 42 O ILE A 3 7.959 2.457 -8.374 1.00 0.00 O ATOM 43 CB ILE A 3 8.080 0.705 -10.628 1.00 0.00 C ATOM 44 CG1 ILE A 3 7.264 -0.172 -9.634 1.00 0.00 C ATOM 45 CG2 ILE A 3 9.581 0.714 -10.243 1.00 0.00 C ATOM 46 CD1 ILE A 3 5.845 -0.359 -10.184 1.00 0.00 C ATOM 0 H ILE A 3 9.325 2.531 -11.773 1.00 0.00 H new ATOM 0 HA ILE A 3 6.461 2.094 -11.042 1.00 0.00 H new ATOM 0 HB ILE A 3 7.984 0.256 -11.617 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.747 -1.140 -9.501 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.228 0.303 -8.654 1.00 0.00 H new ATOM 0 HG21 ILE A 3 9.945 -0.311 -10.174 1.00 0.00 H new ATOM 0 HG22 ILE A 3 10.148 1.251 -11.003 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.707 1.209 -9.280 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.265 -0.972 -9.494 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.366 0.614 -10.294 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.893 -0.852 -11.155 1.00 0.00 H new ATOM 58 N CYS A 4 7.087 4.170 -9.491 1.00 0.00 N ATOM 59 CA CYS A 4 7.058 5.058 -8.293 1.00 0.00 C ATOM 60 C CYS A 4 5.767 4.921 -7.473 1.00 0.00 C ATOM 61 O CYS A 4 5.244 5.869 -6.919 1.00 0.00 O ATOM 62 CB CYS A 4 7.279 6.500 -8.810 1.00 0.00 C ATOM 63 SG CYS A 4 9.023 6.967 -8.858 1.00 0.00 S ATOM 0 H CYS A 4 6.732 4.596 -10.347 1.00 0.00 H new ATOM 0 HA CYS A 4 7.844 4.772 -7.594 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.856 6.591 -9.810 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.738 7.197 -8.170 1.00 0.00 H new ATOM 68 N THR A 5 5.307 3.699 -7.432 1.00 0.00 N ATOM 69 CA THR A 5 4.061 3.342 -6.682 1.00 0.00 C ATOM 70 C THR A 5 4.442 2.951 -5.254 1.00 0.00 C ATOM 71 O THR A 5 5.611 2.876 -4.934 1.00 0.00 O ATOM 72 CB THR A 5 3.358 2.152 -7.371 1.00 0.00 C ATOM 73 OG1 THR A 5 4.396 1.251 -7.737 1.00 0.00 O ATOM 74 CG2 THR A 5 2.723 2.591 -8.695 1.00 0.00 C ATOM 0 H THR A 5 5.754 2.910 -7.899 1.00 0.00 H new ATOM 0 HA THR A 5 3.383 4.195 -6.668 1.00 0.00 H new ATOM 0 HB THR A 5 2.600 1.736 -6.707 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.008 0.468 -8.181 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.233 1.738 -9.164 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.987 3.372 -8.504 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.497 2.976 -9.360 1.00 0.00 H new ATOM 82 N ASN A 6 3.441 2.726 -4.442 1.00 0.00 N ATOM 83 CA ASN A 6 3.678 2.329 -3.015 1.00 0.00 C ATOM 84 C ASN A 6 2.419 1.684 -2.401 1.00 0.00 C ATOM 85 O ASN A 6 1.336 1.780 -2.947 1.00 0.00 O ATOM 86 CB ASN A 6 4.079 3.573 -2.182 1.00 0.00 C ATOM 87 CG ASN A 6 3.260 4.800 -2.575 1.00 0.00 C ATOM 88 OD1 ASN A 6 2.048 4.783 -2.530 1.00 0.00 O ATOM 89 ND2 ASN A 6 3.881 5.878 -2.964 1.00 0.00 N ATOM 0 H ASN A 6 2.459 2.800 -4.707 1.00 0.00 H new ATOM 0 HA ASN A 6 4.485 1.597 -2.997 1.00 0.00 H new ATOM 0 HB2 ASN A 6 3.936 3.363 -1.122 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.139 3.781 -2.325 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.348 6.706 -3.230 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.900 5.894 -3.002 1.00 0.00 H new ATOM 96 N CYS A 7 2.624 1.054 -1.268 1.00 0.00 N ATOM 97 CA CYS A 7 1.540 0.356 -0.502 1.00 0.00 C ATOM 98 C CYS A 7 0.371 1.277 -0.113 1.00 0.00 C ATOM 99 O CYS A 7 -0.662 0.837 0.354 1.00 0.00 O ATOM 100 CB CYS A 7 2.172 -0.243 0.761 1.00 0.00 C ATOM 101 SG CYS A 7 1.080 -0.602 2.160 1.00 0.00 S ATOM 0 H CYS A 7 3.540 0.993 -0.824 1.00 0.00 H new ATOM 0 HA CYS A 7 1.113 -0.412 -1.147 1.00 0.00 H new ATOM 0 HB2 CYS A 7 2.671 -1.170 0.479 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.945 0.443 1.107 1.00 0.00 H new ATOM 106 N CYS A 8 0.592 2.541 -0.326 1.00 0.00 N ATOM 107 CA CYS A 8 -0.413 3.593 -0.015 1.00 0.00 C ATOM 108 C CYS A 8 -1.376 3.888 -1.175 1.00 0.00 C ATOM 109 O CYS A 8 -2.562 3.652 -1.078 1.00 0.00 O ATOM 110 CB CYS A 8 0.405 4.807 0.375 1.00 0.00 C ATOM 111 SG CYS A 8 -0.339 6.451 0.472 1.00 0.00 S ATOM 0 H CYS A 8 1.462 2.902 -0.718 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.079 3.269 0.785 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.839 4.597 1.353 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.231 4.874 -0.333 1.00 0.00 H new ATOM 116 N ALA A 9 -0.798 4.395 -2.230 1.00 0.00 N ATOM 117 CA ALA A 9 -1.526 4.778 -3.486 1.00 0.00 C ATOM 118 C ALA A 9 -2.389 3.736 -4.229 1.00 0.00 C ATOM 119 O ALA A 9 -3.453 4.098 -4.689 1.00 0.00 O ATOM 120 CB ALA A 9 -0.490 5.328 -4.477 1.00 0.00 C ATOM 0 H ALA A 9 0.206 4.570 -2.277 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.271 5.488 -3.126 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.989 5.616 -5.402 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.002 6.199 -4.044 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.254 4.560 -4.690 1.00 0.00 H new ATOM 126 N GLY A 10 -1.922 2.513 -4.331 1.00 0.00 N ATOM 127 CA GLY A 10 -2.658 1.394 -5.037 1.00 0.00 C ATOM 128 C GLY A 10 -4.179 1.505 -5.248 1.00 0.00 C ATOM 129 O GLY A 10 -4.619 2.251 -6.100 1.00 0.00 O ATOM 0 H GLY A 10 -1.025 2.227 -3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.200 1.269 -6.018 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.471 0.476 -4.479 1.00 0.00 H new ATOM 133 N THR A 11 -4.932 0.762 -4.469 1.00 0.00 N ATOM 134 CA THR A 11 -6.435 0.773 -4.577 1.00 0.00 C ATOM 135 C THR A 11 -7.081 -0.138 -3.539 1.00 0.00 C ATOM 136 O THR A 11 -6.900 -1.337 -3.594 1.00 0.00 O ATOM 137 CB THR A 11 -6.935 0.277 -5.988 1.00 0.00 C ATOM 138 OG1 THR A 11 -5.885 -0.506 -6.542 1.00 0.00 O ATOM 139 CG2 THR A 11 -7.166 1.438 -6.989 1.00 0.00 C ATOM 0 H THR A 11 -4.566 0.137 -3.751 1.00 0.00 H new ATOM 0 HA THR A 11 -6.725 1.811 -4.416 1.00 0.00 H new ATOM 0 HB THR A 11 -7.875 -0.255 -5.842 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.157 -1.447 -6.567 1.00 0.00 H new ATOM 0 HG21 THR A 11 -7.509 1.034 -7.942 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.919 2.118 -6.590 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.232 1.980 -7.140 1.00 0.00 H new ATOM 147 N LYS A 12 -7.816 0.456 -2.628 1.00 0.00 N ATOM 148 CA LYS A 12 -8.514 -0.321 -1.555 1.00 0.00 C ATOM 149 C LYS A 12 -9.210 -1.560 -2.155 1.00 0.00 C ATOM 150 O LYS A 12 -10.162 -1.440 -2.902 1.00 0.00 O ATOM 151 CB LYS A 12 -9.564 0.597 -0.874 1.00 0.00 C ATOM 152 CG LYS A 12 -9.231 0.775 0.624 1.00 0.00 C ATOM 153 CD LYS A 12 -10.404 1.492 1.330 1.00 0.00 C ATOM 154 CE LYS A 12 -11.523 0.490 1.682 1.00 0.00 C ATOM 155 NZ LYS A 12 -12.766 1.225 2.047 1.00 0.00 N ATOM 0 H LYS A 12 -7.964 1.464 -2.583 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.784 -0.660 -0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.582 1.569 -1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.559 0.166 -0.983 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.053 -0.196 1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.315 1.355 0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.046 1.979 2.237 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.800 2.275 0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.715 -0.167 0.834 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.208 -0.144 2.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.974 1.075 3.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.634 2.241 1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.559 0.873 1.473 1.00 0.00 H new ATOM 169 N GLY A 13 -8.691 -2.708 -1.801 1.00 0.00 N ATOM 170 CA GLY A 13 -9.251 -4.000 -2.300 1.00 0.00 C ATOM 171 C GLY A 13 -8.152 -4.862 -2.927 1.00 0.00 C ATOM 172 O GLY A 13 -8.182 -6.071 -2.795 1.00 0.00 O ATOM 0 H GLY A 13 -7.890 -2.806 -1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.719 -4.541 -1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.030 -3.804 -3.036 1.00 0.00 H new ATOM 176 N CYS A 14 -7.204 -4.234 -3.588 1.00 0.00 N ATOM 177 CA CYS A 14 -6.097 -5.018 -4.229 1.00 0.00 C ATOM 178 C CYS A 14 -5.082 -5.395 -3.143 1.00 0.00 C ATOM 179 O CYS A 14 -5.302 -5.072 -1.994 1.00 0.00 O ATOM 180 CB CYS A 14 -5.438 -4.148 -5.316 1.00 0.00 C ATOM 181 SG CYS A 14 -6.379 -3.813 -6.827 1.00 0.00 S ATOM 0 H CYS A 14 -7.149 -3.223 -3.710 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.477 -5.928 -4.694 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.179 -3.190 -4.865 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.503 -4.627 -5.605 1.00 0.00 H new ATOM 186 N LYS A 15 -4.015 -6.061 -3.511 1.00 0.00 N ATOM 187 CA LYS A 15 -2.984 -6.460 -2.496 1.00 0.00 C ATOM 188 C LYS A 15 -1.572 -6.232 -3.044 1.00 0.00 C ATOM 189 O LYS A 15 -1.113 -6.969 -3.895 1.00 0.00 O ATOM 190 CB LYS A 15 -3.176 -7.955 -2.143 1.00 0.00 C ATOM 191 CG LYS A 15 -4.373 -8.125 -1.180 1.00 0.00 C ATOM 192 CD LYS A 15 -5.010 -9.515 -1.364 1.00 0.00 C ATOM 193 CE LYS A 15 -6.121 -9.706 -0.311 1.00 0.00 C ATOM 194 NZ LYS A 15 -7.409 -9.118 -0.785 1.00 0.00 N ATOM 0 H LYS A 15 -3.811 -6.346 -4.469 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.107 -5.849 -1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.346 -8.532 -3.052 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.270 -8.347 -1.681 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.040 -8.003 -0.149 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.115 -7.349 -1.369 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.424 -9.609 -2.368 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.253 -10.292 -1.257 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.255 -10.768 -0.106 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.824 -9.235 0.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.777 -8.463 -0.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.249 -8.602 -1.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.100 -9.879 -0.946 1.00 0.00 H new ATOM 208 N TYR A 16 -0.922 -5.213 -2.535 1.00 0.00 N ATOM 209 CA TYR A 16 0.472 -4.892 -2.995 1.00 0.00 C ATOM 210 C TYR A 16 1.369 -6.112 -2.786 1.00 0.00 C ATOM 211 O TYR A 16 1.380 -6.666 -1.706 1.00 0.00 O ATOM 212 CB TYR A 16 1.054 -3.735 -2.188 1.00 0.00 C ATOM 213 CG TYR A 16 0.137 -2.512 -2.228 1.00 0.00 C ATOM 214 CD1 TYR A 16 0.271 -1.546 -3.205 1.00 0.00 C ATOM 215 CD2 TYR A 16 -0.829 -2.354 -1.260 1.00 0.00 C ATOM 216 CE1 TYR A 16 -0.552 -0.439 -3.204 1.00 0.00 C ATOM 217 CE2 TYR A 16 -1.644 -1.250 -1.263 1.00 0.00 C ATOM 218 CZ TYR A 16 -1.517 -0.286 -2.226 1.00 0.00 C ATOM 219 OH TYR A 16 -2.355 0.810 -2.177 1.00 0.00 O ATOM 0 H TYR A 16 -1.294 -4.588 -1.820 1.00 0.00 H new ATOM 0 HA TYR A 16 0.428 -4.617 -4.049 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.201 -4.048 -1.154 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.034 -3.470 -2.584 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.023 -1.657 -3.973 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.946 -3.105 -0.492 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.442 0.313 -3.972 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.396 -1.140 -0.495 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.181 1.318 -1.357 1.00 0.00 H new ATOM 229 N PHE A 17 2.088 -6.493 -3.808 1.00 0.00 N ATOM 230 CA PHE A 17 2.994 -7.672 -3.711 1.00 0.00 C ATOM 231 C PHE A 17 4.267 -7.470 -4.554 1.00 0.00 C ATOM 232 O PHE A 17 4.306 -6.699 -5.496 1.00 0.00 O ATOM 233 CB PHE A 17 2.126 -8.872 -4.151 1.00 0.00 C ATOM 234 CG PHE A 17 2.915 -10.059 -4.706 1.00 0.00 C ATOM 235 CD1 PHE A 17 3.460 -9.996 -5.968 1.00 0.00 C ATOM 236 CD2 PHE A 17 3.079 -11.203 -3.952 1.00 0.00 C ATOM 237 CE1 PHE A 17 4.160 -11.062 -6.469 1.00 0.00 C ATOM 238 CE2 PHE A 17 3.780 -12.272 -4.451 1.00 0.00 C ATOM 239 CZ PHE A 17 4.324 -12.202 -5.717 1.00 0.00 C ATOM 0 H PHE A 17 2.085 -6.031 -4.717 1.00 0.00 H new ATOM 0 HA PHE A 17 3.379 -7.835 -2.704 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.538 -9.210 -3.298 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.421 -8.534 -4.910 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.336 -9.104 -6.565 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.652 -11.257 -2.961 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.585 -11.007 -7.460 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.905 -13.164 -3.855 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.877 -13.040 -6.116 1.00 0.00 H new ATOM 249 N SER A 18 5.274 -8.208 -4.153 1.00 0.00 N ATOM 250 CA SER A 18 6.612 -8.175 -4.815 1.00 0.00 C ATOM 251 C SER A 18 6.870 -9.479 -5.598 1.00 0.00 C ATOM 252 O SER A 18 6.792 -10.565 -5.058 1.00 0.00 O ATOM 253 CB SER A 18 7.685 -7.995 -3.737 1.00 0.00 C ATOM 254 OG SER A 18 8.869 -7.603 -4.426 1.00 0.00 O ATOM 0 H SER A 18 5.218 -8.854 -3.366 1.00 0.00 H new ATOM 0 HA SER A 18 6.643 -7.346 -5.522 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.387 -7.238 -3.011 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.843 -8.921 -3.185 1.00 0.00 H new ATOM 0 HG SER A 18 9.505 -8.348 -4.433 1.00 0.00 H new ATOM 260 N ASP A 19 7.189 -9.271 -6.846 1.00 0.00 N ATOM 261 CA ASP A 19 7.496 -10.325 -7.874 1.00 0.00 C ATOM 262 C ASP A 19 8.297 -11.557 -7.424 1.00 0.00 C ATOM 263 O ASP A 19 8.078 -12.636 -7.939 1.00 0.00 O ATOM 264 CB ASP A 19 8.271 -9.660 -9.031 1.00 0.00 C ATOM 265 CG ASP A 19 9.600 -9.029 -8.520 1.00 0.00 C ATOM 266 OD1 ASP A 19 9.591 -8.457 -7.438 1.00 0.00 O ATOM 267 OD2 ASP A 19 10.565 -9.161 -9.254 1.00 0.00 O ATOM 0 H ASP A 19 7.255 -8.328 -7.230 1.00 0.00 H new ATOM 0 HA ASP A 19 6.517 -10.720 -8.145 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.488 -10.400 -9.801 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.653 -8.891 -9.493 1.00 0.00 H new ATOM 272 N ASP A 20 9.193 -11.373 -6.488 1.00 0.00 N ATOM 273 CA ASP A 20 10.023 -12.520 -5.994 1.00 0.00 C ATOM 274 C ASP A 20 9.154 -13.670 -5.464 1.00 0.00 C ATOM 275 O ASP A 20 9.574 -14.811 -5.482 1.00 0.00 O ATOM 276 CB ASP A 20 10.953 -12.016 -4.880 1.00 0.00 C ATOM 277 CG ASP A 20 10.119 -11.294 -3.811 1.00 0.00 C ATOM 278 OD1 ASP A 20 9.958 -10.097 -3.979 1.00 0.00 O ATOM 279 OD2 ASP A 20 9.688 -11.975 -2.894 1.00 0.00 O ATOM 0 H ASP A 20 9.388 -10.477 -6.042 1.00 0.00 H new ATOM 0 HA ASP A 20 10.603 -12.909 -6.831 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.492 -12.852 -4.434 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.701 -11.339 -5.293 1.00 0.00 H new ATOM 284 N GLY A 21 7.972 -13.326 -5.012 1.00 0.00 N ATOM 285 CA GLY A 21 7.029 -14.350 -4.471 1.00 0.00 C ATOM 286 C GLY A 21 6.594 -14.022 -3.045 1.00 0.00 C ATOM 287 O GLY A 21 6.397 -14.932 -2.263 1.00 0.00 O ATOM 0 H GLY A 21 7.619 -12.369 -4.996 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.151 -14.411 -5.114 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.507 -15.330 -4.489 1.00 0.00 H new ATOM 291 N THR A 22 6.451 -12.755 -2.734 1.00 0.00 N ATOM 292 CA THR A 22 6.025 -12.372 -1.350 1.00 0.00 C ATOM 293 C THR A 22 5.055 -11.186 -1.338 1.00 0.00 C ATOM 294 O THR A 22 5.230 -10.222 -2.054 1.00 0.00 O ATOM 295 CB THR A 22 7.261 -12.002 -0.543 1.00 0.00 C ATOM 296 OG1 THR A 22 8.145 -13.109 -0.653 1.00 0.00 O ATOM 297 CG2 THR A 22 6.954 -11.897 0.968 1.00 0.00 C ATOM 0 H THR A 22 6.609 -11.976 -3.373 1.00 0.00 H new ATOM 0 HA THR A 22 5.505 -13.226 -0.917 1.00 0.00 H new ATOM 0 HB THR A 22 7.648 -11.052 -0.911 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.774 -12.954 -1.388 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.864 -11.631 1.506 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.197 -11.130 1.133 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.584 -12.856 1.332 1.00 0.00 H new ATOM 305 N PHE A 23 4.048 -11.304 -0.510 1.00 0.00 N ATOM 306 CA PHE A 23 3.020 -10.236 -0.369 1.00 0.00 C ATOM 307 C PHE A 23 3.702 -9.069 0.373 1.00 0.00 C ATOM 308 O PHE A 23 4.466 -9.288 1.294 1.00 0.00 O ATOM 309 CB PHE A 23 1.869 -10.875 0.406 1.00 0.00 C ATOM 310 CG PHE A 23 0.981 -9.843 1.127 1.00 0.00 C ATOM 311 CD1 PHE A 23 1.318 -9.408 2.396 1.00 0.00 C ATOM 312 CD2 PHE A 23 -0.162 -9.343 0.528 1.00 0.00 C ATOM 313 CE1 PHE A 23 0.529 -8.491 3.055 1.00 0.00 C ATOM 314 CE2 PHE A 23 -0.952 -8.425 1.188 1.00 0.00 C ATOM 315 CZ PHE A 23 -0.605 -7.999 2.453 1.00 0.00 C ATOM 0 H PHE A 23 3.895 -12.117 0.087 1.00 0.00 H new ATOM 0 HA PHE A 23 2.623 -9.840 -1.304 1.00 0.00 H new ATOM 0 HB2 PHE A 23 1.255 -11.457 -0.281 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.275 -11.572 1.139 1.00 0.00 H new ATOM 0 HD1 PHE A 23 2.207 -9.791 2.874 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.437 -9.674 -0.463 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.801 -8.158 4.046 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.843 -8.040 0.714 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.223 -7.280 2.970 1.00 0.00 H new ATOM 325 N VAL A 24 3.401 -7.869 -0.051 1.00 0.00 N ATOM 326 CA VAL A 24 3.996 -6.646 0.570 1.00 0.00 C ATOM 327 C VAL A 24 3.010 -5.984 1.547 1.00 0.00 C ATOM 328 O VAL A 24 3.359 -5.724 2.683 1.00 0.00 O ATOM 329 CB VAL A 24 4.393 -5.691 -0.597 1.00 0.00 C ATOM 330 CG1 VAL A 24 5.058 -4.413 -0.059 1.00 0.00 C ATOM 331 CG2 VAL A 24 5.415 -6.404 -1.519 1.00 0.00 C ATOM 0 H VAL A 24 2.755 -7.681 -0.817 1.00 0.00 H new ATOM 0 HA VAL A 24 4.876 -6.898 1.162 1.00 0.00 H new ATOM 0 HB VAL A 24 3.486 -5.430 -1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.325 -3.763 -0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.364 -3.891 0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.957 -4.677 0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.694 -5.738 -2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.303 -6.665 -0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.967 -7.310 -1.926 1.00 0.00 H new ATOM 341 N CYS A 25 1.812 -5.735 1.077 1.00 0.00 N ATOM 342 CA CYS A 25 0.754 -5.092 1.927 1.00 0.00 C ATOM 343 C CYS A 25 -0.614 -5.155 1.236 1.00 0.00 C ATOM 344 O CYS A 25 -0.723 -5.660 0.135 1.00 0.00 O ATOM 345 CB CYS A 25 1.137 -3.623 2.211 1.00 0.00 C ATOM 346 SG CYS A 25 0.100 -2.274 1.597 1.00 0.00 S ATOM 0 H CYS A 25 1.515 -5.953 0.126 1.00 0.00 H new ATOM 0 HA CYS A 25 0.685 -5.637 2.869 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.205 -3.511 3.293 1.00 0.00 H new ATOM 0 HB3 CYS A 25 2.139 -3.468 1.811 1.00 0.00 H new ATOM 351 N GLU A 26 -1.614 -4.639 1.904 1.00 0.00 N ATOM 352 CA GLU A 26 -3.009 -4.639 1.355 1.00 0.00 C ATOM 353 C GLU A 26 -3.455 -3.274 0.837 1.00 0.00 C ATOM 354 O GLU A 26 -3.026 -2.249 1.325 1.00 0.00 O ATOM 355 CB GLU A 26 -3.986 -5.078 2.453 1.00 0.00 C ATOM 356 CG GLU A 26 -4.235 -6.596 2.368 1.00 0.00 C ATOM 357 CD GLU A 26 -5.174 -7.032 3.505 1.00 0.00 C ATOM 358 OE1 GLU A 26 -4.663 -7.175 4.604 1.00 0.00 O ATOM 359 OE2 GLU A 26 -6.347 -7.199 3.210 1.00 0.00 O ATOM 0 H GLU A 26 -1.523 -4.209 2.824 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.011 -5.329 0.512 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.582 -4.823 3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.929 -4.541 2.347 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.675 -6.849 1.403 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.289 -7.134 2.438 1.00 0.00 H new ATOM 366 N GLY A 27 -4.317 -3.345 -0.146 1.00 0.00 N ATOM 367 CA GLY A 27 -4.907 -2.142 -0.814 1.00 0.00 C ATOM 368 C GLY A 27 -5.469 -1.232 0.278 1.00 0.00 C ATOM 369 O GLY A 27 -6.437 -1.592 0.921 1.00 0.00 O ATOM 0 H GLY A 27 -4.651 -4.229 -0.530 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.149 -1.618 -1.396 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.694 -2.437 -1.508 1.00 0.00 H new ATOM 373 N GLU A 28 -4.845 -0.094 0.453 1.00 0.00 N ATOM 374 CA GLU A 28 -5.303 0.874 1.502 1.00 0.00 C ATOM 375 C GLU A 28 -5.765 2.246 0.980 1.00 0.00 C ATOM 376 O GLU A 28 -6.405 2.977 1.713 1.00 0.00 O ATOM 377 CB GLU A 28 -4.135 1.042 2.503 1.00 0.00 C ATOM 378 CG GLU A 28 -4.151 -0.141 3.509 1.00 0.00 C ATOM 379 CD GLU A 28 -2.745 -0.367 4.098 1.00 0.00 C ATOM 380 OE1 GLU A 28 -2.334 0.496 4.858 1.00 0.00 O ATOM 381 OE2 GLU A 28 -2.156 -1.383 3.764 1.00 0.00 O ATOM 0 H GLU A 28 -4.034 0.209 -0.087 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.198 0.457 1.964 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.185 1.069 1.970 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.229 1.989 3.035 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.859 0.066 4.311 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.492 -1.047 3.009 1.00 0.00 H new ATOM 388 N SER A 29 -5.446 2.569 -0.247 1.00 0.00 N ATOM 389 CA SER A 29 -5.868 3.893 -0.824 1.00 0.00 C ATOM 390 C SER A 29 -7.397 3.932 -0.968 1.00 0.00 C ATOM 391 O SER A 29 -7.943 3.304 -1.854 1.00 0.00 O ATOM 392 CB SER A 29 -5.220 4.107 -2.220 1.00 0.00 C ATOM 393 OG SER A 29 -4.722 2.841 -2.627 1.00 0.00 O ATOM 0 H SER A 29 -4.910 1.975 -0.880 1.00 0.00 H new ATOM 0 HA SER A 29 -5.539 4.685 -0.151 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.951 4.485 -2.934 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.417 4.842 -2.167 1.00 0.00 H new ATOM 0 HG SER A 29 -3.833 2.700 -2.241 1.00 0.00 H new ATOM 399 N ASP A 30 -8.030 4.665 -0.087 1.00 0.00 N ATOM 400 CA ASP A 30 -9.519 4.788 -0.116 1.00 0.00 C ATOM 401 C ASP A 30 -9.916 5.976 -1.016 1.00 0.00 C ATOM 402 O ASP A 30 -9.379 7.047 -0.819 1.00 0.00 O ATOM 403 CB ASP A 30 -10.021 5.014 1.319 1.00 0.00 C ATOM 404 CG ASP A 30 -11.543 5.233 1.316 1.00 0.00 C ATOM 405 OD1 ASP A 30 -11.923 6.382 1.165 1.00 0.00 O ATOM 406 OD2 ASP A 30 -12.227 4.234 1.465 1.00 0.00 O ATOM 0 H ASP A 30 -7.573 5.189 0.659 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.968 3.880 -0.518 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.770 4.154 1.940 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.522 5.879 1.756 1.00 0.00 H new ATOM 411 N PRO A 31 -10.823 5.783 -1.954 1.00 0.00 N ATOM 412 CA PRO A 31 -11.295 6.878 -2.849 1.00 0.00 C ATOM 413 C PRO A 31 -12.225 7.865 -2.105 1.00 0.00 C ATOM 414 O PRO A 31 -13.368 8.050 -2.472 1.00 0.00 O ATOM 415 CB PRO A 31 -11.992 6.157 -4.018 1.00 0.00 C ATOM 416 CG PRO A 31 -12.335 4.731 -3.506 1.00 0.00 C ATOM 417 CD PRO A 31 -11.481 4.476 -2.244 1.00 0.00 C ATOM 0 HA PRO A 31 -10.477 7.504 -3.206 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -12.894 6.689 -4.321 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -11.341 6.111 -4.891 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -13.397 4.652 -3.273 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -12.120 3.986 -4.272 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.100 4.151 -1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -10.743 3.693 -2.418 1.00 0.00 H new ATOM 425 N ARG A 32 -11.697 8.476 -1.074 1.00 0.00 N ATOM 426 CA ARG A 32 -12.446 9.456 -0.240 1.00 0.00 C ATOM 427 C ARG A 32 -11.526 9.968 0.877 1.00 0.00 C ATOM 428 O ARG A 32 -11.707 11.078 1.340 1.00 0.00 O ATOM 429 CB ARG A 32 -13.697 8.782 0.387 1.00 0.00 C ATOM 430 CG ARG A 32 -14.941 9.569 -0.046 1.00 0.00 C ATOM 431 CD ARG A 32 -16.227 8.795 0.348 1.00 0.00 C ATOM 432 NE ARG A 32 -16.831 8.158 -0.865 1.00 0.00 N ATOM 433 CZ ARG A 32 -16.124 7.372 -1.635 1.00 0.00 C ATOM 434 NH1 ARG A 32 -15.563 6.310 -1.124 1.00 0.00 N ATOM 435 NH2 ARG A 32 -16.004 7.683 -2.895 1.00 0.00 N ATOM 0 H ARG A 32 -10.736 8.326 -0.767 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.771 10.287 -0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -13.772 7.745 0.061 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.616 8.769 1.474 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -14.941 10.552 0.425 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.921 9.731 -1.124 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -15.990 8.032 1.090 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -16.944 9.475 0.808 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.808 8.340 -1.094 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -15.678 6.099 -0.133 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -15.010 5.691 -1.716 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -16.456 8.522 -3.258 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.458 7.087 -3.518 1.00 0.00 H new ATOM 449 N ASN A 33 -10.573 9.156 1.281 1.00 0.00 N ATOM 450 CA ASN A 33 -9.641 9.592 2.370 1.00 0.00 C ATOM 451 C ASN A 33 -8.413 10.295 1.745 1.00 0.00 C ATOM 452 O ASN A 33 -8.092 10.035 0.600 1.00 0.00 O ATOM 453 CB ASN A 33 -9.201 8.342 3.203 1.00 0.00 C ATOM 454 CG ASN A 33 -7.915 7.674 2.685 1.00 0.00 C ATOM 455 OD1 ASN A 33 -7.021 7.356 3.444 1.00 0.00 O ATOM 456 ND2 ASN A 33 -7.772 7.442 1.413 1.00 0.00 N ATOM 0 H ASN A 33 -10.403 8.222 0.908 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.143 10.296 3.034 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.051 8.642 4.240 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.008 7.610 3.196 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -6.920 7.000 1.068 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.512 7.702 0.761 1.00 0.00 H new ATOM 463 N PRO A 34 -7.764 11.159 2.493 1.00 0.00 N ATOM 464 CA PRO A 34 -6.446 11.717 2.100 1.00 0.00 C ATOM 465 C PRO A 34 -5.319 10.682 2.313 1.00 0.00 C ATOM 466 O PRO A 34 -4.533 10.811 3.234 1.00 0.00 O ATOM 467 CB PRO A 34 -6.284 12.979 2.963 1.00 0.00 C ATOM 468 CG PRO A 34 -7.261 12.807 4.164 1.00 0.00 C ATOM 469 CD PRO A 34 -8.257 11.688 3.794 1.00 0.00 C ATOM 0 HA PRO A 34 -6.388 11.964 1.040 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.256 13.086 3.309 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -6.523 13.876 2.391 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.713 12.549 5.070 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.789 13.739 4.366 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -8.278 10.909 4.556 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -9.272 12.075 3.705 1.00 0.00 H new ATOM 477 N LYS A 35 -5.271 9.681 1.464 1.00 0.00 N ATOM 478 CA LYS A 35 -4.210 8.631 1.590 1.00 0.00 C ATOM 479 C LYS A 35 -2.816 9.262 1.411 1.00 0.00 C ATOM 480 O LYS A 35 -2.364 9.489 0.305 1.00 0.00 O ATOM 481 CB LYS A 35 -4.431 7.524 0.513 1.00 0.00 C ATOM 482 CG LYS A 35 -4.723 8.127 -0.899 1.00 0.00 C ATOM 483 CD LYS A 35 -5.966 7.453 -1.543 1.00 0.00 C ATOM 484 CE LYS A 35 -6.792 8.494 -2.312 1.00 0.00 C ATOM 485 NZ LYS A 35 -6.011 8.996 -3.477 1.00 0.00 N ATOM 0 H LYS A 35 -5.921 9.547 0.690 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.271 8.184 2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.547 6.889 0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.263 6.887 0.814 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.890 9.201 -0.813 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.855 7.990 -1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.649 6.658 -2.218 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.579 6.990 -0.770 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.727 8.050 -2.653 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.054 9.322 -1.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.619 9.596 -4.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.201 9.553 -3.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.667 8.190 -4.037 1.00 0.00 H new ATOM 499 N ALA A 36 -2.185 9.528 2.529 1.00 0.00 N ATOM 500 CA ALA A 36 -0.823 10.143 2.515 1.00 0.00 C ATOM 501 C ALA A 36 0.211 9.052 2.227 1.00 0.00 C ATOM 502 O ALA A 36 0.182 8.005 2.845 1.00 0.00 O ATOM 503 CB ALA A 36 -0.553 10.780 3.884 1.00 0.00 C ATOM 0 H ALA A 36 -2.560 9.343 3.459 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.758 10.910 1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.439 11.232 3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.302 11.547 4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.604 10.014 4.658 1.00 0.00 H new ATOM 509 N CYS A 37 1.088 9.339 1.296 1.00 0.00 N ATOM 510 CA CYS A 37 2.156 8.369 0.904 1.00 0.00 C ATOM 511 C CYS A 37 3.581 8.909 1.202 1.00 0.00 C ATOM 512 O CYS A 37 4.254 9.388 0.309 1.00 0.00 O ATOM 513 CB CYS A 37 1.983 8.069 -0.602 1.00 0.00 C ATOM 514 SG CYS A 37 0.417 7.355 -1.169 1.00 0.00 S ATOM 0 H CYS A 37 1.108 10.220 0.783 1.00 0.00 H new ATOM 0 HA CYS A 37 2.052 7.459 1.494 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.138 9.001 -1.145 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.783 7.391 -0.899 1.00 0.00 H new ATOM 519 N PRO A 38 4.009 8.821 2.447 1.00 0.00 N ATOM 520 CA PRO A 38 5.432 9.055 2.828 1.00 0.00 C ATOM 521 C PRO A 38 6.348 7.917 2.340 1.00 0.00 C ATOM 522 O PRO A 38 7.541 7.943 2.574 1.00 0.00 O ATOM 523 CB PRO A 38 5.437 9.178 4.354 1.00 0.00 C ATOM 524 CG PRO A 38 4.071 8.624 4.847 1.00 0.00 C ATOM 525 CD PRO A 38 3.147 8.491 3.617 1.00 0.00 C ATOM 0 HA PRO A 38 5.826 9.957 2.359 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.263 8.613 4.786 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.567 10.216 4.659 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.203 7.657 5.332 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.631 9.294 5.586 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.741 7.483 3.536 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.298 9.172 3.686 1.00 0.00 H new ATOM 533 N ARG A 39 5.758 6.955 1.676 1.00 0.00 N ATOM 534 CA ARG A 39 6.525 5.789 1.147 1.00 0.00 C ATOM 535 C ARG A 39 7.250 6.158 -0.153 1.00 0.00 C ATOM 536 O ARG A 39 8.249 5.548 -0.484 1.00 0.00 O ATOM 537 CB ARG A 39 5.536 4.635 0.900 1.00 0.00 C ATOM 538 CG ARG A 39 6.249 3.262 1.019 1.00 0.00 C ATOM 539 CD ARG A 39 6.109 2.716 2.457 1.00 0.00 C ATOM 540 NE ARG A 39 6.885 3.600 3.379 1.00 0.00 N ATOM 541 CZ ARG A 39 6.324 4.086 4.455 1.00 0.00 C ATOM 542 NH1 ARG A 39 5.695 5.227 4.379 1.00 0.00 N ATOM 543 NH2 ARG A 39 6.412 3.411 5.567 1.00 0.00 N ATOM 0 H ARG A 39 4.758 6.930 1.475 1.00 0.00 H new ATOM 0 HA ARG A 39 7.282 5.487 1.871 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.720 4.689 1.620 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.094 4.735 -0.091 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.817 2.556 0.310 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.303 3.367 0.762 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.060 2.690 2.751 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.481 1.693 2.511 1.00 0.00 H new ATOM 0 HE ARG A 39 7.857 3.825 3.168 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.647 5.725 3.490 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.251 5.621 5.209 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.911 2.522 5.586 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.981 3.772 6.418 1.00 0.00 H new ATOM 557 N ASN A 40 6.723 7.142 -0.846 1.00 0.00 N ATOM 558 CA ASN A 40 7.329 7.609 -2.137 1.00 0.00 C ATOM 559 C ASN A 40 7.500 6.451 -3.133 1.00 0.00 C ATOM 560 O ASN A 40 6.856 5.427 -3.012 1.00 0.00 O ATOM 561 CB ASN A 40 8.700 8.277 -1.807 1.00 0.00 C ATOM 562 CG ASN A 40 8.489 9.513 -0.920 1.00 0.00 C ATOM 563 OD1 ASN A 40 7.813 9.477 0.090 1.00 0.00 O ATOM 564 ND2 ASN A 40 9.059 10.635 -1.267 1.00 0.00 N ATOM 0 H ASN A 40 5.884 7.650 -0.566 1.00 0.00 H new ATOM 0 HA ASN A 40 6.666 8.329 -2.616 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.348 7.562 -1.299 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.204 8.564 -2.730 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.935 11.469 -0.693 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.629 10.678 -2.112 1.00 0.00 H new ATOM 571 N CYS A 41 8.363 6.664 -4.091 1.00 0.00 N ATOM 572 CA CYS A 41 8.647 5.636 -5.137 1.00 0.00 C ATOM 573 C CYS A 41 9.074 4.306 -4.491 1.00 0.00 C ATOM 574 O CYS A 41 9.975 4.291 -3.675 1.00 0.00 O ATOM 575 CB CYS A 41 9.756 6.194 -6.044 1.00 0.00 C ATOM 576 SG CYS A 41 9.311 7.673 -6.989 1.00 0.00 S ATOM 0 H CYS A 41 8.896 7.528 -4.195 1.00 0.00 H new ATOM 0 HA CYS A 41 7.752 5.429 -5.724 1.00 0.00 H new ATOM 0 HB2 CYS A 41 10.625 6.424 -5.428 1.00 0.00 H new ATOM 0 HB3 CYS A 41 10.058 5.414 -6.743 1.00 0.00 H new ATOM 581 N ASP A 42 8.412 3.237 -4.877 1.00 0.00 N ATOM 582 CA ASP A 42 8.734 1.884 -4.319 1.00 0.00 C ATOM 583 C ASP A 42 8.993 0.843 -5.433 1.00 0.00 C ATOM 584 O ASP A 42 8.160 -0.006 -5.696 1.00 0.00 O ATOM 585 CB ASP A 42 7.544 1.435 -3.416 1.00 0.00 C ATOM 586 CG ASP A 42 8.004 0.313 -2.475 1.00 0.00 C ATOM 587 OD1 ASP A 42 8.027 -0.803 -2.963 1.00 0.00 O ATOM 588 OD2 ASP A 42 8.305 0.626 -1.335 1.00 0.00 O ATOM 0 H ASP A 42 7.656 3.246 -5.561 1.00 0.00 H new ATOM 0 HA ASP A 42 9.653 1.950 -3.736 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.175 2.281 -2.836 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.716 1.088 -4.034 1.00 0.00 H new ATOM 593 N PRO A 43 10.150 0.926 -6.058 1.00 0.00 N ATOM 594 CA PRO A 43 10.572 -0.078 -7.067 1.00 0.00 C ATOM 595 C PRO A 43 10.603 -1.504 -6.503 1.00 0.00 C ATOM 596 O PRO A 43 10.596 -2.460 -7.256 1.00 0.00 O ATOM 597 CB PRO A 43 11.954 0.378 -7.564 1.00 0.00 C ATOM 598 CG PRO A 43 12.289 1.711 -6.835 1.00 0.00 C ATOM 599 CD PRO A 43 11.149 2.007 -5.841 1.00 0.00 C ATOM 0 HA PRO A 43 9.854 -0.127 -7.886 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.709 -0.378 -7.349 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.946 0.522 -8.644 1.00 0.00 H new ATOM 0 HG2 PRO A 43 13.241 1.630 -6.310 1.00 0.00 H new ATOM 0 HG3 PRO A 43 12.389 2.524 -7.554 1.00 0.00 H new ATOM 0 HD2 PRO A 43 11.513 2.006 -4.813 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.712 2.989 -6.024 1.00 0.00 H new ATOM 607 N ARG A 44 10.636 -1.598 -5.196 1.00 0.00 N ATOM 608 CA ARG A 44 10.665 -2.928 -4.514 1.00 0.00 C ATOM 609 C ARG A 44 9.407 -3.713 -4.924 1.00 0.00 C ATOM 610 O ARG A 44 9.482 -4.884 -5.246 1.00 0.00 O ATOM 611 CB ARG A 44 10.690 -2.693 -2.996 1.00 0.00 C ATOM 612 CG ARG A 44 11.298 -3.905 -2.256 1.00 0.00 C ATOM 613 CD ARG A 44 11.623 -3.507 -0.795 1.00 0.00 C ATOM 614 NE ARG A 44 10.347 -3.362 -0.022 1.00 0.00 N ATOM 615 CZ ARG A 44 9.638 -2.266 -0.105 1.00 0.00 C ATOM 616 NH1 ARG A 44 10.181 -1.123 0.217 1.00 0.00 N ATOM 617 NH2 ARG A 44 8.401 -2.350 -0.513 1.00 0.00 N ATOM 0 H ARG A 44 10.644 -0.797 -4.565 1.00 0.00 H new ATOM 0 HA ARG A 44 11.548 -3.500 -4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 44 11.271 -1.798 -2.773 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.677 -2.514 -2.636 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.599 -4.741 -2.270 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.203 -4.238 -2.764 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.257 -4.264 -0.333 1.00 0.00 H new ATOM 0 HD3 ARG A 44 12.180 -2.570 -0.777 1.00 0.00 H new ATOM 0 HE ARG A 44 10.028 -4.126 0.575 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.151 -1.090 0.530 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.635 -0.264 0.155 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.006 -3.257 -0.759 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.830 -1.508 -0.585 1.00 0.00 H new ATOM 631 N ILE A 45 8.291 -3.025 -4.898 1.00 0.00 N ATOM 632 CA ILE A 45 6.990 -3.652 -5.277 1.00 0.00 C ATOM 633 C ILE A 45 7.017 -3.945 -6.778 1.00 0.00 C ATOM 634 O ILE A 45 7.717 -3.293 -7.532 1.00 0.00 O ATOM 635 CB ILE A 45 5.834 -2.657 -4.898 1.00 0.00 C ATOM 636 CG1 ILE A 45 5.356 -3.024 -3.474 1.00 0.00 C ATOM 637 CG2 ILE A 45 4.615 -2.755 -5.868 1.00 0.00 C ATOM 638 CD1 ILE A 45 4.655 -1.820 -2.807 1.00 0.00 C ATOM 0 H ILE A 45 8.228 -2.044 -4.627 1.00 0.00 H new ATOM 0 HA ILE A 45 6.823 -4.590 -4.747 1.00 0.00 H new ATOM 0 HB ILE A 45 6.220 -1.640 -4.962 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.670 -3.870 -3.522 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.207 -3.337 -2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.847 -2.046 -5.559 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.938 -2.521 -6.883 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.208 -3.766 -5.840 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.326 -2.099 -1.806 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.352 -0.984 -2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.791 -1.526 -3.403 1.00 0.00 H new ATOM 650 N ALA A 46 6.238 -4.926 -7.150 1.00 0.00 N ATOM 651 CA ALA A 46 6.150 -5.341 -8.580 1.00 0.00 C ATOM 652 C ALA A 46 4.786 -4.933 -9.122 1.00 0.00 C ATOM 653 O ALA A 46 4.687 -4.371 -10.196 1.00 0.00 O ATOM 654 CB ALA A 46 6.327 -6.850 -8.653 1.00 0.00 C ATOM 0 H ALA A 46 5.651 -5.465 -6.514 1.00 0.00 H new ATOM 0 HA ALA A 46 6.925 -4.861 -9.177 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.266 -7.174 -9.692 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.300 -7.122 -8.245 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.542 -7.337 -8.074 1.00 0.00 H new ATOM 660 N TYR A 47 3.775 -5.236 -8.347 1.00 0.00 N ATOM 661 CA TYR A 47 2.374 -4.893 -8.753 1.00 0.00 C ATOM 662 C TYR A 47 1.417 -5.184 -7.596 1.00 0.00 C ATOM 663 O TYR A 47 1.845 -5.509 -6.507 1.00 0.00 O ATOM 664 CB TYR A 47 1.966 -5.734 -10.012 1.00 0.00 C ATOM 665 CG TYR A 47 2.558 -7.156 -9.973 1.00 0.00 C ATOM 666 CD1 TYR A 47 2.056 -8.112 -9.111 1.00 0.00 C ATOM 667 CD2 TYR A 47 3.606 -7.498 -10.807 1.00 0.00 C ATOM 668 CE1 TYR A 47 2.593 -9.384 -9.088 1.00 0.00 C ATOM 669 CE2 TYR A 47 4.141 -8.769 -10.782 1.00 0.00 C ATOM 670 CZ TYR A 47 3.639 -9.720 -9.922 1.00 0.00 C ATOM 671 OH TYR A 47 4.181 -10.991 -9.903 1.00 0.00 O ATOM 0 H TYR A 47 3.858 -5.708 -7.447 1.00 0.00 H new ATOM 0 HA TYR A 47 2.320 -3.833 -9.002 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.879 -5.795 -10.070 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.306 -5.225 -10.914 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.238 -7.863 -8.451 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.010 -6.762 -11.486 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.190 -10.123 -8.411 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.959 -9.020 -11.441 1.00 0.00 H new ATOM 0 HH TYR A 47 4.908 -11.046 -10.558 1.00 0.00 H new ATOM 681 N GLY A 48 0.143 -5.054 -7.866 1.00 0.00 N ATOM 682 CA GLY A 48 -0.898 -5.308 -6.830 1.00 0.00 C ATOM 683 C GLY A 48 -1.809 -6.442 -7.296 1.00 0.00 C ATOM 684 O GLY A 48 -2.502 -6.304 -8.286 1.00 0.00 O ATOM 0 H GLY A 48 -0.224 -4.778 -8.777 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.428 -5.570 -5.882 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.483 -4.405 -6.657 1.00 0.00 H new ATOM 688 N ILE A 49 -1.780 -7.530 -6.569 1.00 0.00 N ATOM 689 CA ILE A 49 -2.629 -8.705 -6.923 1.00 0.00 C ATOM 690 C ILE A 49 -4.047 -8.380 -6.426 1.00 0.00 C ATOM 691 O ILE A 49 -4.332 -8.430 -5.244 1.00 0.00 O ATOM 692 CB ILE A 49 -2.048 -9.964 -6.216 1.00 0.00 C ATOM 693 CG1 ILE A 49 -0.622 -10.297 -6.768 1.00 0.00 C ATOM 694 CG2 ILE A 49 -2.994 -11.181 -6.399 1.00 0.00 C ATOM 695 CD1 ILE A 49 -0.633 -10.553 -8.295 1.00 0.00 C ATOM 0 H ILE A 49 -1.200 -7.654 -5.739 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.650 -8.905 -7.994 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.966 -9.748 -5.151 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.054 -9.472 -6.544 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.232 -11.177 -6.256 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.569 -12.051 -5.897 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.968 -10.953 -5.967 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.109 -11.396 -7.461 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.378 -10.780 -8.633 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.288 -11.395 -8.518 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.997 -9.664 -8.810 1.00 0.00 H new ATOM 707 N CYS A 50 -4.887 -8.048 -7.373 1.00 0.00 N ATOM 708 CA CYS A 50 -6.308 -7.700 -7.070 1.00 0.00 C ATOM 709 C CYS A 50 -7.210 -8.947 -7.202 1.00 0.00 C ATOM 710 O CYS A 50 -7.231 -9.548 -8.259 1.00 0.00 O ATOM 711 CB CYS A 50 -6.748 -6.603 -8.053 1.00 0.00 C ATOM 712 SG CYS A 50 -5.697 -5.135 -8.196 1.00 0.00 S ATOM 0 H CYS A 50 -4.643 -8.003 -8.362 1.00 0.00 H new ATOM 0 HA CYS A 50 -6.397 -7.339 -6.045 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.833 -7.053 -9.042 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -7.747 -6.275 -7.765 1.00 0.00 H new ATOM 717 N PRO A 51 -7.926 -9.318 -6.157 1.00 0.00 N ATOM 718 CA PRO A 51 -8.947 -10.397 -6.250 1.00 0.00 C ATOM 719 C PRO A 51 -10.034 -9.964 -7.243 1.00 0.00 C ATOM 720 O PRO A 51 -10.248 -10.604 -8.254 1.00 0.00 O ATOM 721 CB PRO A 51 -9.485 -10.592 -4.822 1.00 0.00 C ATOM 722 CG PRO A 51 -8.806 -9.521 -3.925 1.00 0.00 C ATOM 723 CD PRO A 51 -7.810 -8.730 -4.794 1.00 0.00 C ATOM 0 HA PRO A 51 -8.548 -11.342 -6.619 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -10.569 -10.480 -4.801 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.261 -11.595 -4.460 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.554 -8.852 -3.499 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.290 -9.995 -3.090 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.052 -7.667 -4.802 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.794 -8.822 -4.411 1.00 0.00 H new ATOM 731 N LEU A 52 -10.674 -8.876 -6.897 1.00 0.00 N ATOM 732 CA LEU A 52 -11.766 -8.291 -7.737 1.00 0.00 C ATOM 733 C LEU A 52 -11.339 -6.855 -8.057 1.00 0.00 C ATOM 734 O LEU A 52 -11.333 -6.438 -9.199 1.00 0.00 O ATOM 735 CB LEU A 52 -13.098 -8.290 -6.937 1.00 0.00 C ATOM 736 CG LEU A 52 -13.945 -9.575 -7.194 1.00 0.00 C ATOM 737 CD1 LEU A 52 -14.328 -9.697 -8.691 1.00 0.00 C ATOM 738 CD2 LEU A 52 -13.190 -10.843 -6.727 1.00 0.00 C ATOM 0 H LEU A 52 -10.480 -8.354 -6.043 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.925 -8.866 -8.649 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -12.879 -8.209 -5.872 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -13.683 -7.412 -7.210 1.00 0.00 H new ATOM 0 HG LEU A 52 -14.861 -9.488 -6.610 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -14.918 -10.601 -8.843 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -14.913 -8.827 -8.989 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -13.422 -9.749 -9.295 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -13.804 -11.723 -6.918 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.251 -10.930 -7.274 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.983 -10.770 -5.659 1.00 0.00 H new ATOM 750 N ALA A 53 -10.993 -6.153 -7.007 1.00 0.00 N ATOM 751 CA ALA A 53 -10.543 -4.729 -7.110 1.00 0.00 C ATOM 752 C ALA A 53 -9.490 -4.459 -6.005 1.00 0.00 C ATOM 753 O ALA A 53 -9.401 -3.335 -5.532 1.00 0.00 O ATOM 754 CB ALA A 53 -11.793 -3.835 -6.951 1.00 0.00 C ATOM 755 OXT ALA A 53 -8.814 -5.426 -5.694 1.00 0.00 O ATOM 0 H ALA A 53 -11.004 -6.518 -6.055 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.076 -4.513 -8.071 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.502 -2.787 -7.021 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.509 -4.066 -7.740 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.252 -4.020 -5.980 1.00 0.00 H new TER 761 ALA A 53