USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 277 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.244 K(o=-0.24,f=-1.7!) USER MOD Single : A 14 HIS : no HD1:sc= -0.243 X(o=-0.24,f=-0.63) USER MOD Single : A 25 LYS NZ :NH3+ 152:sc= -0.0706 (180deg=-0.98) USER MOD Single : A 29 SER OG : rot 180:sc= -0.855 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N CYS A 3 -10.773 1.223 6.074 1.00 1.00 N ATOM 31 CA CYS A 3 -9.615 0.620 5.423 1.00 1.00 C ATOM 32 C CYS A 3 -8.316 1.200 5.965 1.00 1.00 C ATOM 33 O CYS A 3 -8.286 2.318 6.476 1.00 1.00 O ATOM 34 CB CYS A 3 -9.691 0.828 3.907 1.00 1.00 C ATOM 35 SG CYS A 3 -10.123 -0.668 2.978 1.00 1.00 S ATOM 0 HA CYS A 3 -9.626 -0.449 5.638 1.00 1.00 H new ATOM 0 HB2 CYS A 3 -10.429 1.602 3.693 1.00 1.00 H new ATOM 0 HB3 CYS A 3 -8.729 1.198 3.553 1.00 1.00 H new ATOM 40 N ILE A 4 -7.236 0.431 5.852 1.00 1.00 N ATOM 41 CA ILE A 4 -5.930 0.865 6.329 1.00 1.00 C ATOM 42 C ILE A 4 -5.378 1.995 5.461 1.00 1.00 C ATOM 43 O ILE A 4 -5.950 2.325 4.422 1.00 1.00 O ATOM 44 CB ILE A 4 -4.918 -0.307 6.373 1.00 1.00 C ATOM 45 CG1 ILE A 4 -4.246 -0.513 5.008 1.00 1.00 C ATOM 46 CG2 ILE A 4 -5.604 -1.585 6.823 1.00 1.00 C ATOM 47 CD1 ILE A 4 -5.221 -0.616 3.861 1.00 1.00 C ATOM 0 H ILE A 4 -7.242 -0.499 5.432 1.00 1.00 H new ATOM 0 HA ILE A 4 -6.068 1.234 7.345 1.00 1.00 H new ATOM 0 HB ILE A 4 -4.142 -0.052 7.095 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -3.564 0.316 4.820 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -3.643 -1.420 5.043 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -4.878 -2.398 6.848 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -6.023 -1.442 7.819 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -6.404 -1.834 6.125 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -4.673 -0.761 2.930 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -5.888 -1.463 4.025 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -5.807 0.301 3.798 1.00 1.00 H new ATOM 59 N PRO A 5 -4.258 2.606 5.876 1.00 1.00 N ATOM 60 CA PRO A 5 -3.631 3.700 5.130 1.00 1.00 C ATOM 61 C PRO A 5 -3.030 3.218 3.813 1.00 1.00 C ATOM 62 O PRO A 5 -2.101 2.410 3.803 1.00 1.00 O ATOM 63 CB PRO A 5 -2.527 4.205 6.069 1.00 1.00 C ATOM 64 CG PRO A 5 -2.790 3.566 7.389 1.00 1.00 C ATOM 65 CD PRO A 5 -3.512 2.287 7.096 1.00 1.00 C ATOM 0 HA PRO A 5 -4.352 4.471 4.859 1.00 1.00 H new ATOM 0 HB2 PRO A 5 -1.540 3.934 5.693 1.00 1.00 H new ATOM 0 HB3 PRO A 5 -2.550 5.292 6.150 1.00 1.00 H new ATOM 0 HG2 PRO A 5 -1.858 3.374 7.921 1.00 1.00 H new ATOM 0 HG3 PRO A 5 -3.392 4.216 8.024 1.00 1.00 H new ATOM 0 HD2 PRO A 5 -2.821 1.459 6.942 1.00 1.00 H new ATOM 0 HD3 PRO A 5 -4.175 2.001 7.912 1.00 1.00 H new ATOM 73 N LYS A 6 -3.567 3.716 2.702 1.00 1.00 N ATOM 74 CA LYS A 6 -3.085 3.328 1.383 1.00 1.00 C ATOM 75 C LYS A 6 -1.947 4.237 0.919 1.00 1.00 C ATOM 76 O LYS A 6 -1.872 4.603 -0.249 1.00 1.00 O ATOM 77 CB LYS A 6 -4.230 3.357 0.368 1.00 1.00 C ATOM 78 CG LYS A 6 -4.764 4.752 0.090 1.00 1.00 C ATOM 79 CD LYS A 6 -5.882 4.727 -0.940 1.00 1.00 C ATOM 80 CE LYS A 6 -5.537 5.570 -2.157 1.00 1.00 C ATOM 81 NZ LYS A 6 -5.058 4.737 -3.292 1.00 1.00 N ATOM 0 H LYS A 6 -4.335 4.388 2.691 1.00 1.00 H new ATOM 0 HA LYS A 6 -2.698 2.311 1.454 1.00 1.00 H new ATOM 0 HB2 LYS A 6 -3.886 2.916 -0.568 1.00 1.00 H new ATOM 0 HB3 LYS A 6 -5.044 2.732 0.734 1.00 1.00 H new ATOM 0 HG2 LYS A 6 -5.132 5.193 1.017 1.00 1.00 H new ATOM 0 HG3 LYS A 6 -3.954 5.388 -0.266 1.00 1.00 H new ATOM 0 HD2 LYS A 6 -6.070 3.699 -1.250 1.00 1.00 H new ATOM 0 HD3 LYS A 6 -6.802 5.097 -0.489 1.00 1.00 H new ATOM 0 HE2 LYS A 6 -6.416 6.136 -2.467 1.00 1.00 H new ATOM 0 HE3 LYS A 6 -4.769 6.296 -1.890 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 -4.833 5.350 -4.102 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 -4.205 4.216 -3.005 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 -5.800 4.062 -3.564 1.00 1.00 H new ATOM 95 N TRP A 7 -1.061 4.591 1.846 1.00 1.00 N ATOM 96 CA TRP A 7 0.069 5.451 1.531 1.00 1.00 C ATOM 97 C TRP A 7 1.256 5.135 2.438 1.00 1.00 C ATOM 98 O TRP A 7 2.137 5.972 2.634 1.00 1.00 O ATOM 99 CB TRP A 7 -0.313 6.922 1.685 1.00 1.00 C ATOM 100 CG TRP A 7 -1.106 7.453 0.531 1.00 1.00 C ATOM 101 CD1 TRP A 7 -2.434 7.254 0.291 1.00 1.00 C ATOM 102 CD2 TRP A 7 -0.622 8.270 -0.537 1.00 1.00 C ATOM 103 NE1 TRP A 7 -2.806 7.898 -0.863 1.00 1.00 N ATOM 104 CE2 TRP A 7 -1.712 8.529 -1.390 1.00 1.00 C ATOM 105 CE3 TRP A 7 0.621 8.811 -0.859 1.00 1.00 C ATOM 106 CZ2 TRP A 7 -1.589 9.300 -2.543 1.00 1.00 C ATOM 107 CZ3 TRP A 7 0.741 9.578 -2.003 1.00 1.00 C ATOM 108 CH2 TRP A 7 -0.356 9.816 -2.833 1.00 1.00 C ATOM 0 H TRP A 7 -1.106 4.294 2.821 1.00 1.00 H new ATOM 0 HA TRP A 7 0.353 5.264 0.495 1.00 1.00 H new ATOM 0 HB2 TRP A 7 -0.890 7.046 2.601 1.00 1.00 H new ATOM 0 HB3 TRP A 7 0.594 7.516 1.797 1.00 1.00 H new ATOM 0 HD1 TRP A 7 -3.096 6.674 0.917 1.00 1.00 H new ATOM 0 HE1 TRP A 7 -3.745 7.905 -1.262 1.00 1.00 H new ATOM 0 HE3 TRP A 7 1.477 8.634 -0.225 1.00 1.00 H new ATOM 0 HZ2 TRP A 7 -2.437 9.484 -3.186 1.00 1.00 H new ATOM 0 HZ3 TRP A 7 1.701 10.001 -2.259 1.00 1.00 H new ATOM 0 HH2 TRP A 7 -0.229 10.419 -3.720 1.00 1.00 H new ATOM 119 N LYS A 8 1.273 3.924 2.992 1.00 1.00 N ATOM 120 CA LYS A 8 2.352 3.507 3.878 1.00 1.00 C ATOM 121 C LYS A 8 3.140 2.352 3.275 1.00 1.00 C ATOM 122 O LYS A 8 2.649 1.636 2.405 1.00 1.00 O ATOM 123 CB LYS A 8 1.791 3.103 5.239 1.00 1.00 C ATOM 124 CG LYS A 8 1.267 4.280 6.045 1.00 1.00 C ATOM 125 CD LYS A 8 2.384 5.233 6.427 1.00 1.00 C ATOM 126 CE LYS A 8 2.009 6.083 7.629 1.00 1.00 C ATOM 127 NZ LYS A 8 2.028 7.538 7.307 1.00 1.00 N ATOM 0 H LYS A 8 0.553 3.218 2.842 1.00 1.00 H new ATOM 0 HA LYS A 8 3.029 4.352 4.007 1.00 1.00 H new ATOM 0 HB2 LYS A 8 0.985 2.383 5.093 1.00 1.00 H new ATOM 0 HB3 LYS A 8 2.570 2.598 5.810 1.00 1.00 H new ATOM 0 HG2 LYS A 8 0.514 4.814 5.465 1.00 1.00 H new ATOM 0 HG3 LYS A 8 0.775 3.915 6.946 1.00 1.00 H new ATOM 0 HD2 LYS A 8 3.287 4.665 6.650 1.00 1.00 H new ATOM 0 HD3 LYS A 8 2.616 5.880 5.581 1.00 1.00 H new ATOM 0 HE2 LYS A 8 1.015 5.801 7.978 1.00 1.00 H new ATOM 0 HE3 LYS A 8 2.702 5.883 8.446 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 1.767 8.084 8.153 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 2.982 7.813 6.999 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 1.348 7.734 6.545 1.00 1.00 H new ATOM 141 N GLY A 9 4.371 2.183 3.747 1.00 1.00 N ATOM 142 CA GLY A 9 5.226 1.120 3.250 1.00 1.00 C ATOM 143 C GLY A 9 4.581 -0.249 3.332 1.00 1.00 C ATOM 144 O GLY A 9 3.496 -0.403 3.892 1.00 1.00 O ATOM 0 H GLY A 9 4.794 2.767 4.469 1.00 1.00 H new ATOM 0 HA2 GLY A 9 5.490 1.329 2.213 1.00 1.00 H new ATOM 0 HA3 GLY A 9 6.155 1.112 3.820 1.00 1.00 H new ATOM 148 N CYS A 10 5.259 -1.243 2.774 1.00 1.00 N ATOM 149 CA CYS A 10 4.757 -2.615 2.778 1.00 1.00 C ATOM 150 C CYS A 10 5.531 -3.492 3.761 1.00 1.00 C ATOM 151 O CYS A 10 5.216 -4.669 3.932 1.00 1.00 O ATOM 152 CB CYS A 10 4.846 -3.210 1.377 1.00 1.00 C ATOM 153 SG CYS A 10 3.920 -4.765 1.164 1.00 1.00 S ATOM 0 H CYS A 10 6.160 -1.127 2.311 1.00 1.00 H new ATOM 0 HA CYS A 10 3.715 -2.586 3.097 1.00 1.00 H new ATOM 0 HB2 CYS A 10 4.475 -2.478 0.660 1.00 1.00 H new ATOM 0 HB3 CYS A 10 5.894 -3.389 1.136 1.00 1.00 H new ATOM 158 N VAL A 11 6.548 -2.919 4.403 1.00 1.00 N ATOM 159 CA VAL A 11 7.360 -3.660 5.362 1.00 1.00 C ATOM 160 C VAL A 11 6.631 -3.825 6.694 1.00 1.00 C ATOM 161 O VAL A 11 7.100 -3.362 7.734 1.00 1.00 O ATOM 162 CB VAL A 11 8.715 -2.963 5.601 1.00 1.00 C ATOM 163 CG1 VAL A 11 8.510 -1.584 6.204 1.00 1.00 C ATOM 164 CG2 VAL A 11 9.608 -3.820 6.490 1.00 1.00 C ATOM 0 H VAL A 11 6.827 -1.946 4.276 1.00 1.00 H new ATOM 0 HA VAL A 11 7.540 -4.646 4.934 1.00 1.00 H new ATOM 0 HB VAL A 11 9.213 -2.839 4.639 1.00 1.00 H new ATOM 0 HG11 VAL A 11 9.478 -1.110 6.365 1.00 1.00 H new ATOM 0 HG12 VAL A 11 7.915 -0.974 5.524 1.00 1.00 H new ATOM 0 HG13 VAL A 11 7.989 -1.677 7.157 1.00 1.00 H new ATOM 0 HG21 VAL A 11 10.559 -3.312 6.648 1.00 1.00 H new ATOM 0 HG22 VAL A 11 9.119 -3.980 7.451 1.00 1.00 H new ATOM 0 HG23 VAL A 11 9.785 -4.782 6.008 1.00 1.00 H new ATOM 174 N ASN A 12 5.479 -4.489 6.654 1.00 1.00 N ATOM 175 CA ASN A 12 4.684 -4.721 7.853 1.00 1.00 C ATOM 176 C ASN A 12 3.435 -5.533 7.524 1.00 1.00 C ATOM 177 O ASN A 12 3.200 -6.590 8.106 1.00 1.00 O ATOM 178 CB ASN A 12 4.285 -3.392 8.495 1.00 1.00 C ATOM 179 CG ASN A 12 3.606 -3.582 9.839 1.00 1.00 C ATOM 180 OD1 ASN A 12 3.407 -4.708 10.293 1.00 1.00 O ATOM 181 ND2 ASN A 12 3.244 -2.476 10.480 1.00 1.00 N ATOM 0 H ASN A 12 5.076 -4.876 5.801 1.00 1.00 H new ATOM 0 HA ASN A 12 5.293 -5.287 8.558 1.00 1.00 H new ATOM 0 HB2 ASN A 12 5.172 -2.772 8.623 1.00 1.00 H new ATOM 0 HB3 ASN A 12 3.615 -2.854 7.825 1.00 1.00 H new ATOM 0 HD21 ASN A 12 2.781 -2.540 11.387 1.00 1.00 H new ATOM 0 HD22 ASN A 12 3.429 -1.563 10.066 1.00 1.00 H new ATOM 188 N ARG A 13 2.640 -5.028 6.588 1.00 1.00 N ATOM 189 CA ARG A 13 1.417 -5.704 6.179 1.00 1.00 C ATOM 190 C ARG A 13 1.728 -6.881 5.261 1.00 1.00 C ATOM 191 O ARG A 13 1.220 -7.985 5.458 1.00 1.00 O ATOM 192 CB ARG A 13 0.479 -4.724 5.472 1.00 1.00 C ATOM 193 CG ARG A 13 -0.681 -4.265 6.341 1.00 1.00 C ATOM 194 CD ARG A 13 -0.811 -2.751 6.348 1.00 1.00 C ATOM 195 NE ARG A 13 -0.442 -2.172 7.598 1.00 1.00 N ATOM 196 CZ ARG A 13 0.732 -1.620 7.813 1.00 1.00 C ATOM 197 NH1 ARG A 13 1.733 -1.744 6.950 1.00 1.00 N ATOM 198 NH2 ARG A 13 0.886 -0.955 8.906 1.00 1.00 N ATOM 0 H ARG A 13 2.822 -4.152 6.098 1.00 1.00 H new ATOM 0 HA ARG A 13 0.925 -6.084 7.074 1.00 1.00 H new ATOM 0 HB2 ARG A 13 1.050 -3.853 5.152 1.00 1.00 H new ATOM 0 HB3 ARG A 13 0.085 -5.195 4.572 1.00 1.00 H new ATOM 0 HG2 ARG A 13 -1.607 -4.708 5.976 1.00 1.00 H new ATOM 0 HG3 ARG A 13 -0.536 -4.623 7.360 1.00 1.00 H new ATOM 0 HD2 ARG A 13 -0.185 -2.333 5.560 1.00 1.00 H new ATOM 0 HD3 ARG A 13 -1.840 -2.478 6.116 1.00 1.00 H new ATOM 0 HE ARG A 13 -1.120 -2.187 8.360 1.00 1.00 H new ATOM 0 HH11 ARG A 13 1.603 -2.279 6.092 1.00 1.00 H new ATOM 0 HH12 ARG A 13 2.632 -1.304 7.145 1.00 1.00 H new ATOM 0 HH21 ARG A 13 0.113 -0.872 9.566 1.00 1.00 H new ATOM 0 HH22 ARG A 13 1.781 -0.511 9.111 1.00 1.00 H new ATOM 212 N HIS A 14 2.564 -6.635 4.259 1.00 1.00 N ATOM 213 CA HIS A 14 2.946 -7.673 3.305 1.00 1.00 C ATOM 214 C HIS A 14 1.713 -8.352 2.715 1.00 1.00 C ATOM 215 O HIS A 14 1.740 -9.540 2.392 1.00 1.00 O ATOM 216 CB HIS A 14 3.848 -8.704 3.984 1.00 1.00 C ATOM 217 CG HIS A 14 5.245 -8.719 3.449 1.00 1.00 C ATOM 218 ND1 HIS A 14 5.865 -7.601 2.932 1.00 1.00 N ATOM 219 CD2 HIS A 14 6.144 -9.725 3.347 1.00 1.00 C ATOM 220 CE1 HIS A 14 7.084 -7.918 2.537 1.00 1.00 C ATOM 221 NE2 HIS A 14 7.278 -9.202 2.778 1.00 1.00 N ATOM 0 H HIS A 14 2.991 -5.725 4.085 1.00 1.00 H new ATOM 0 HA HIS A 14 3.496 -7.204 2.489 1.00 1.00 H new ATOM 0 HB2 HIS A 14 3.879 -8.499 5.054 1.00 1.00 H new ATOM 0 HB3 HIS A 14 3.410 -9.695 3.862 1.00 1.00 H new ATOM 0 HD2 HIS A 14 5.997 -10.749 3.656 1.00 1.00 H new ATOM 0 HE1 HIS A 14 7.800 -7.243 2.093 1.00 1.00 H new ATOM 0 HE2 HIS A 14 8.132 -9.721 2.574 1.00 1.00 H new ATOM 230 N GLY A 15 0.635 -7.588 2.579 1.00 1.00 N ATOM 231 CA GLY A 15 -0.597 -8.127 2.029 1.00 1.00 C ATOM 232 C GLY A 15 -1.704 -8.218 3.062 1.00 1.00 C ATOM 233 O GLY A 15 -2.782 -8.730 2.771 1.00 1.00 O ATOM 0 H GLY A 15 0.591 -6.603 2.840 1.00 1.00 H new ATOM 0 HA2 GLY A 15 -0.927 -7.499 1.202 1.00 1.00 H new ATOM 0 HA3 GLY A 15 -0.405 -9.118 1.619 1.00 1.00 H new ATOM 237 N ASP A 16 -1.444 -7.717 4.266 1.00 1.00 N ATOM 238 CA ASP A 16 -2.431 -7.746 5.337 1.00 1.00 C ATOM 239 C ASP A 16 -3.412 -6.580 5.220 1.00 1.00 C ATOM 240 O ASP A 16 -4.331 -6.453 6.027 1.00 1.00 O ATOM 241 CB ASP A 16 -1.740 -7.708 6.700 1.00 1.00 C ATOM 242 CG ASP A 16 -2.410 -8.613 7.715 1.00 1.00 C ATOM 243 OD1 ASP A 16 -2.079 -9.819 7.743 1.00 1.00 O ATOM 244 OD2 ASP A 16 -3.262 -8.120 8.480 1.00 1.00 O ATOM 0 H ASP A 16 -0.556 -7.286 4.523 1.00 1.00 H new ATOM 0 HA ASP A 16 -2.992 -8.676 5.245 1.00 1.00 H new ATOM 0 HB2 ASP A 16 -0.698 -8.006 6.584 1.00 1.00 H new ATOM 0 HB3 ASP A 16 -1.739 -6.685 7.075 1.00 1.00 H new ATOM 249 N CYS A 17 -3.218 -5.734 4.209 1.00 1.00 N ATOM 250 CA CYS A 17 -4.095 -4.587 3.995 1.00 1.00 C ATOM 251 C CYS A 17 -5.559 -5.028 3.931 1.00 1.00 C ATOM 252 O CYS A 17 -5.845 -6.224 3.890 1.00 1.00 O ATOM 253 CB CYS A 17 -3.697 -3.849 2.715 1.00 1.00 C ATOM 254 SG CYS A 17 -1.965 -3.275 2.691 1.00 1.00 S ATOM 0 H CYS A 17 -2.464 -5.822 3.528 1.00 1.00 H new ATOM 0 HA CYS A 17 -3.985 -3.905 4.838 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -3.861 -4.508 1.863 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -4.355 -2.990 2.585 1.00 1.00 H new ATOM 259 N CYS A 18 -6.479 -4.068 3.933 1.00 1.00 N ATOM 260 CA CYS A 18 -7.905 -4.385 3.891 1.00 1.00 C ATOM 261 C CYS A 18 -8.284 -5.100 2.583 1.00 1.00 C ATOM 262 O CYS A 18 -7.719 -6.146 2.265 1.00 1.00 O ATOM 263 CB CYS A 18 -8.742 -3.117 4.122 1.00 1.00 C ATOM 264 SG CYS A 18 -8.399 -1.737 2.981 1.00 1.00 S ATOM 0 H CYS A 18 -6.266 -3.071 3.963 1.00 1.00 H new ATOM 0 HA CYS A 18 -8.128 -5.081 4.700 1.00 1.00 H new ATOM 0 HB2 CYS A 18 -9.797 -3.379 4.042 1.00 1.00 H new ATOM 0 HB3 CYS A 18 -8.575 -2.773 5.143 1.00 1.00 H new ATOM 269 N GLU A 19 -9.246 -4.552 1.836 1.00 1.00 N ATOM 270 CA GLU A 19 -9.695 -5.159 0.583 1.00 1.00 C ATOM 271 C GLU A 19 -8.538 -5.583 -0.319 1.00 1.00 C ATOM 272 O GLU A 19 -8.064 -4.809 -1.145 1.00 1.00 O ATOM 273 CB GLU A 19 -10.615 -4.194 -0.167 1.00 1.00 C ATOM 274 CG GLU A 19 -12.092 -4.504 0.009 1.00 1.00 C ATOM 275 CD GLU A 19 -12.852 -4.499 -1.301 1.00 1.00 C ATOM 276 OE1 GLU A 19 -13.205 -3.400 -1.773 1.00 1.00 O ATOM 277 OE2 GLU A 19 -13.093 -5.592 -1.850 1.00 1.00 O ATOM 0 H GLU A 19 -9.729 -3.687 2.079 1.00 1.00 H new ATOM 0 HA GLU A 19 -10.241 -6.065 0.848 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -10.422 -3.178 0.178 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -10.370 -4.222 -1.229 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -12.200 -5.480 0.483 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -12.535 -3.771 0.684 1.00 1.00 H new ATOM 284 N GLY A 20 -8.126 -6.844 -0.153 1.00 1.00 N ATOM 285 CA GLY A 20 -7.052 -7.441 -0.943 1.00 1.00 C ATOM 286 C GLY A 20 -6.145 -6.459 -1.656 1.00 1.00 C ATOM 287 O GLY A 20 -5.835 -6.644 -2.834 1.00 1.00 O ATOM 0 H GLY A 20 -8.531 -7.478 0.535 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -6.442 -8.061 -0.286 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -7.496 -8.104 -1.685 1.00 1.00 H new ATOM 291 N LEU A 21 -5.714 -5.422 -0.962 1.00 1.00 N ATOM 292 CA LEU A 21 -4.839 -4.432 -1.538 1.00 1.00 C ATOM 293 C LEU A 21 -3.459 -5.017 -1.806 1.00 1.00 C ATOM 294 O LEU A 21 -3.085 -6.042 -1.238 1.00 1.00 O ATOM 295 CB LEU A 21 -4.706 -3.256 -0.602 1.00 1.00 C ATOM 296 CG LEU A 21 -6.016 -2.665 -0.096 1.00 1.00 C ATOM 297 CD1 LEU A 21 -6.356 -3.229 1.271 1.00 1.00 C ATOM 298 CD2 LEU A 21 -5.936 -1.146 -0.043 1.00 1.00 C ATOM 0 H LEU A 21 -5.962 -5.247 0.012 1.00 1.00 H new ATOM 0 HA LEU A 21 -5.273 -4.105 -2.483 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -4.111 -3.565 0.258 1.00 1.00 H new ATOM 0 HB3 LEU A 21 -4.147 -2.471 -1.111 1.00 1.00 H new ATOM 0 HG LEU A 21 -6.809 -2.940 -0.791 1.00 1.00 H new ATOM 0 HD11 LEU A 21 -7.294 -2.798 1.619 1.00 1.00 H new ATOM 0 HD12 LEU A 21 -6.458 -4.312 1.203 1.00 1.00 H new ATOM 0 HD13 LEU A 21 -5.560 -2.983 1.974 1.00 1.00 H new ATOM 0 HD21 LEU A 21 -6.882 -0.744 0.321 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -5.132 -0.847 0.630 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -5.737 -0.757 -1.042 1.00 1.00 H new ATOM 310 N GLU A 22 -2.698 -4.352 -2.672 1.00 1.00 N ATOM 311 CA GLU A 22 -1.354 -4.801 -3.013 1.00 1.00 C ATOM 312 C GLU A 22 -0.374 -3.636 -2.957 1.00 1.00 C ATOM 313 O GLU A 22 -0.649 -2.556 -3.476 1.00 1.00 O ATOM 314 CB GLU A 22 -1.331 -5.436 -4.406 1.00 1.00 C ATOM 315 CG GLU A 22 -2.419 -4.923 -5.339 1.00 1.00 C ATOM 316 CD GLU A 22 -2.512 -5.727 -6.621 1.00 1.00 C ATOM 317 OE1 GLU A 22 -1.453 -6.060 -7.193 1.00 1.00 O ATOM 318 OE2 GLU A 22 -3.645 -6.022 -7.054 1.00 1.00 O ATOM 0 H GLU A 22 -2.991 -3.500 -3.150 1.00 1.00 H new ATOM 0 HA GLU A 22 -1.053 -5.552 -2.283 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -0.359 -5.251 -4.862 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -1.434 -6.516 -4.303 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -3.379 -4.954 -4.824 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -2.222 -3.879 -5.582 1.00 1.00 H new ATOM 325 N CYS A 23 0.769 -3.860 -2.324 1.00 1.00 N ATOM 326 CA CYS A 23 1.781 -2.819 -2.205 1.00 1.00 C ATOM 327 C CYS A 23 2.669 -2.773 -3.441 1.00 1.00 C ATOM 328 O CYS A 23 3.396 -3.720 -3.736 1.00 1.00 O ATOM 329 CB CYS A 23 2.634 -3.026 -0.952 1.00 1.00 C ATOM 330 SG CYS A 23 3.315 -4.706 -0.769 1.00 1.00 S ATOM 0 H CYS A 23 1.018 -4.747 -1.887 1.00 1.00 H new ATOM 0 HA CYS A 23 1.262 -1.865 -2.118 1.00 1.00 H new ATOM 0 HB2 CYS A 23 3.459 -2.313 -0.968 1.00 1.00 H new ATOM 0 HB3 CYS A 23 2.030 -2.795 -0.075 1.00 1.00 H new ATOM 335 N TRP A 24 2.597 -1.657 -4.158 1.00 1.00 N ATOM 336 CA TRP A 24 3.392 -1.471 -5.366 1.00 1.00 C ATOM 337 C TRP A 24 4.735 -0.829 -5.031 1.00 1.00 C ATOM 338 O TRP A 24 4.797 0.131 -4.274 1.00 1.00 O ATOM 339 CB TRP A 24 2.636 -0.601 -6.373 1.00 1.00 C ATOM 340 CG TRP A 24 1.349 -1.210 -6.846 1.00 1.00 C ATOM 341 CD1 TRP A 24 0.908 -2.480 -6.611 1.00 1.00 C ATOM 342 CD2 TRP A 24 0.343 -0.574 -7.640 1.00 1.00 C ATOM 343 NE1 TRP A 24 -0.310 -2.672 -7.211 1.00 1.00 N ATOM 344 CE2 TRP A 24 -0.676 -1.514 -7.848 1.00 1.00 C ATOM 345 CE3 TRP A 24 0.209 0.697 -8.194 1.00 1.00 C ATOM 346 CZ2 TRP A 24 -1.821 -1.219 -8.584 1.00 1.00 C ATOM 347 CZ3 TRP A 24 -0.923 0.988 -8.925 1.00 1.00 C ATOM 348 CH2 TRP A 24 -1.926 0.037 -9.114 1.00 1.00 C ATOM 0 H TRP A 24 1.996 -0.867 -3.923 1.00 1.00 H new ATOM 0 HA TRP A 24 3.573 -2.450 -5.809 1.00 1.00 H new ATOM 0 HB2 TRP A 24 2.425 0.367 -5.918 1.00 1.00 H new ATOM 0 HB3 TRP A 24 3.278 -0.415 -7.234 1.00 1.00 H new ATOM 0 HD1 TRP A 24 1.440 -3.224 -6.037 1.00 1.00 H new ATOM 0 HE1 TRP A 24 -0.854 -3.534 -7.187 1.00 1.00 H new ATOM 0 HE3 TRP A 24 0.979 1.442 -8.053 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 -2.597 -1.955 -8.731 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 -1.035 1.970 -9.359 1.00 1.00 H new ATOM 0 HH2 TRP A 24 -2.802 0.298 -9.690 1.00 1.00 H new ATOM 359 N LYS A 25 5.806 -1.373 -5.598 1.00 1.00 N ATOM 360 CA LYS A 25 7.143 -0.854 -5.356 1.00 1.00 C ATOM 361 C LYS A 25 7.339 0.488 -6.046 1.00 1.00 C ATOM 362 O LYS A 25 6.849 0.708 -7.152 1.00 1.00 O ATOM 363 CB LYS A 25 8.197 -1.846 -5.847 1.00 1.00 C ATOM 364 CG LYS A 25 8.149 -2.097 -7.345 1.00 1.00 C ATOM 365 CD LYS A 25 7.566 -3.464 -7.667 1.00 1.00 C ATOM 366 CE LYS A 25 8.629 -4.414 -8.202 1.00 1.00 C ATOM 367 NZ LYS A 25 9.881 -4.357 -7.399 1.00 1.00 N ATOM 0 H LYS A 25 5.772 -2.174 -6.229 1.00 1.00 H new ATOM 0 HA LYS A 25 7.258 -0.712 -4.281 1.00 1.00 H new ATOM 0 HB2 LYS A 25 9.186 -1.473 -5.582 1.00 1.00 H new ATOM 0 HB3 LYS A 25 8.063 -2.793 -5.324 1.00 1.00 H new ATOM 0 HG2 LYS A 25 7.549 -1.323 -7.825 1.00 1.00 H new ATOM 0 HG3 LYS A 25 9.155 -2.023 -7.759 1.00 1.00 H new ATOM 0 HD2 LYS A 25 7.116 -3.889 -6.770 1.00 1.00 H new ATOM 0 HD3 LYS A 25 6.769 -3.356 -8.403 1.00 1.00 H new ATOM 0 HE2 LYS A 25 8.241 -5.433 -8.197 1.00 1.00 H new ATOM 0 HE3 LYS A 25 8.851 -4.163 -9.239 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 10.371 -5.273 -7.454 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 10.500 -3.610 -7.774 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 9.648 -4.148 -6.407 1.00 1.00 H new ATOM 381 N ARG A 26 8.065 1.383 -5.387 1.00 1.00 N ATOM 382 CA ARG A 26 8.333 2.705 -5.932 1.00 1.00 C ATOM 383 C ARG A 26 9.823 2.882 -6.191 1.00 1.00 C ATOM 384 O ARG A 26 10.661 2.521 -5.366 1.00 1.00 O ATOM 385 CB ARG A 26 7.832 3.791 -4.977 1.00 1.00 C ATOM 386 CG ARG A 26 8.000 5.200 -5.519 1.00 1.00 C ATOM 387 CD ARG A 26 6.709 5.724 -6.126 1.00 1.00 C ATOM 388 NE ARG A 26 6.701 5.607 -7.582 1.00 1.00 N ATOM 389 CZ ARG A 26 5.877 6.289 -8.376 1.00 1.00 C ATOM 390 NH1 ARG A 26 4.996 7.135 -7.858 1.00 1.00 N ATOM 391 NH2 ARG A 26 5.936 6.124 -9.691 1.00 1.00 N ATOM 0 H ARG A 26 8.480 1.215 -4.470 1.00 1.00 H new ATOM 0 HA ARG A 26 7.800 2.800 -6.878 1.00 1.00 H new ATOM 0 HB2 ARG A 26 6.778 3.616 -4.762 1.00 1.00 H new ATOM 0 HB3 ARG A 26 8.368 3.708 -4.032 1.00 1.00 H new ATOM 0 HG2 ARG A 26 8.321 5.864 -4.716 1.00 1.00 H new ATOM 0 HG3 ARG A 26 8.787 5.209 -6.273 1.00 1.00 H new ATOM 0 HD2 ARG A 26 5.864 5.172 -5.713 1.00 1.00 H new ATOM 0 HD3 ARG A 26 6.575 6.769 -5.846 1.00 1.00 H new ATOM 0 HE ARG A 26 7.365 4.966 -8.016 1.00 1.00 H new ATOM 0 HH11 ARG A 26 4.947 7.266 -6.848 1.00 1.00 H new ATOM 0 HH12 ARG A 26 4.367 7.655 -8.470 1.00 1.00 H new ATOM 0 HH21 ARG A 26 6.612 5.475 -10.094 1.00 1.00 H new ATOM 0 HH22 ARG A 26 5.305 6.646 -10.299 1.00 1.00 H new ATOM 405 N ARG A 27 10.142 3.437 -7.351 1.00 1.00 N ATOM 406 CA ARG A 27 11.530 3.669 -7.745 1.00 1.00 C ATOM 407 C ARG A 27 12.330 4.315 -6.616 1.00 1.00 C ATOM 408 O ARG A 27 13.411 3.843 -6.259 1.00 1.00 O ATOM 409 CB ARG A 27 11.585 4.549 -8.996 1.00 1.00 C ATOM 410 CG ARG A 27 12.393 3.940 -10.131 1.00 1.00 C ATOM 411 CD ARG A 27 13.847 3.745 -9.737 1.00 1.00 C ATOM 412 NE ARG A 27 14.738 3.792 -10.896 1.00 1.00 N ATOM 413 CZ ARG A 27 15.129 4.917 -11.485 1.00 1.00 C ATOM 414 NH1 ARG A 27 14.712 6.093 -11.031 1.00 1.00 N ATOM 415 NH2 ARG A 27 15.941 4.867 -12.533 1.00 1.00 N ATOM 0 H ARG A 27 9.455 3.738 -8.042 1.00 1.00 H new ATOM 0 HA ARG A 27 11.980 2.701 -7.966 1.00 1.00 H new ATOM 0 HB2 ARG A 27 10.569 4.736 -9.344 1.00 1.00 H new ATOM 0 HB3 ARG A 27 12.015 5.515 -8.732 1.00 1.00 H new ATOM 0 HG2 ARG A 27 11.960 2.981 -10.413 1.00 1.00 H new ATOM 0 HG3 ARG A 27 12.336 4.586 -11.007 1.00 1.00 H new ATOM 0 HD2 ARG A 27 14.137 4.518 -9.025 1.00 1.00 H new ATOM 0 HD3 ARG A 27 13.960 2.786 -9.231 1.00 1.00 H new ATOM 0 HE ARG A 27 15.080 2.909 -11.275 1.00 1.00 H new ATOM 0 HH11 ARG A 27 14.088 6.136 -10.225 1.00 1.00 H new ATOM 0 HH12 ARG A 27 15.016 6.953 -11.488 1.00 1.00 H new ATOM 0 HH21 ARG A 27 16.264 3.966 -12.885 1.00 1.00 H new ATOM 0 HH22 ARG A 27 16.242 5.730 -12.986 1.00 1.00 H new ATOM 429 N ARG A 28 11.794 5.392 -6.054 1.00 1.00 N ATOM 430 CA ARG A 28 12.463 6.098 -4.968 1.00 1.00 C ATOM 431 C ARG A 28 12.062 5.517 -3.613 1.00 1.00 C ATOM 432 O ARG A 28 12.857 4.845 -2.957 1.00 1.00 O ATOM 433 CB ARG A 28 12.136 7.592 -5.021 1.00 1.00 C ATOM 434 CG ARG A 28 13.151 8.459 -4.296 1.00 1.00 C ATOM 435 CD ARG A 28 12.751 8.695 -2.848 1.00 1.00 C ATOM 436 NE ARG A 28 11.560 9.536 -2.738 1.00 1.00 N ATOM 437 CZ ARG A 28 11.576 10.862 -2.850 1.00 1.00 C ATOM 438 NH1 ARG A 28 12.717 11.501 -3.082 1.00 1.00 N ATOM 439 NH2 ARG A 28 10.449 11.550 -2.732 1.00 1.00 N ATOM 0 H ARG A 28 10.899 5.795 -6.332 1.00 1.00 H new ATOM 0 HA ARG A 28 13.538 5.969 -5.091 1.00 1.00 H new ATOM 0 HB2 ARG A 28 12.079 7.907 -6.063 1.00 1.00 H new ATOM 0 HB3 ARG A 28 11.151 7.756 -4.584 1.00 1.00 H new ATOM 0 HG2 ARG A 28 14.130 7.981 -4.331 1.00 1.00 H new ATOM 0 HG3 ARG A 28 13.246 9.416 -4.809 1.00 1.00 H new ATOM 0 HD2 ARG A 28 12.564 7.737 -2.363 1.00 1.00 H new ATOM 0 HD3 ARG A 28 13.578 9.166 -2.316 1.00 1.00 H new ATOM 0 HE ARG A 28 10.664 9.080 -2.565 1.00 1.00 H new ATOM 0 HH11 ARG A 28 13.586 10.975 -3.175 1.00 1.00 H new ATOM 0 HH12 ARG A 28 12.724 12.517 -3.167 1.00 1.00 H new ATOM 0 HH21 ARG A 28 9.570 11.063 -2.555 1.00 1.00 H new ATOM 0 HH22 ARG A 28 10.461 12.566 -2.818 1.00 1.00 H new ATOM 453 N SER A 29 10.823 5.778 -3.203 1.00 1.00 N ATOM 454 CA SER A 29 10.323 5.277 -1.931 1.00 1.00 C ATOM 455 C SER A 29 10.127 3.765 -1.985 1.00 1.00 C ATOM 456 O SER A 29 10.276 3.149 -3.037 1.00 1.00 O ATOM 457 CB SER A 29 9.004 5.967 -1.563 1.00 1.00 C ATOM 458 OG SER A 29 8.493 6.707 -2.657 1.00 1.00 O ATOM 0 H SER A 29 10.151 6.332 -3.733 1.00 1.00 H new ATOM 0 HA SER A 29 11.063 5.503 -1.163 1.00 1.00 H new ATOM 0 HB2 SER A 29 8.274 5.220 -1.252 1.00 1.00 H new ATOM 0 HB3 SER A 29 9.162 6.631 -0.713 1.00 1.00 H new ATOM 0 HG SER A 29 7.651 7.136 -2.397 1.00 1.00 H new ATOM 464 N PHE A 30 9.791 3.173 -0.844 1.00 1.00 N ATOM 465 CA PHE A 30 9.571 1.735 -0.763 1.00 1.00 C ATOM 466 C PHE A 30 8.286 1.346 -1.501 1.00 1.00 C ATOM 467 O PHE A 30 7.932 1.963 -2.508 1.00 1.00 O ATOM 468 CB PHE A 30 9.512 1.314 0.702 1.00 1.00 C ATOM 469 CG PHE A 30 10.074 -0.055 0.958 1.00 1.00 C ATOM 470 CD1 PHE A 30 11.273 -0.450 0.392 1.00 1.00 C ATOM 471 CD2 PHE A 30 9.397 -0.940 1.772 1.00 1.00 C ATOM 472 CE1 PHE A 30 11.782 -1.706 0.632 1.00 1.00 C ATOM 473 CE2 PHE A 30 9.903 -2.196 2.018 1.00 1.00 C ATOM 474 CZ PHE A 30 11.097 -2.584 1.446 1.00 1.00 C ATOM 0 H PHE A 30 9.665 3.669 0.039 1.00 1.00 H new ATOM 0 HA PHE A 30 10.398 1.214 -1.245 1.00 1.00 H new ATOM 0 HB2 PHE A 30 10.060 2.040 1.302 1.00 1.00 H new ATOM 0 HB3 PHE A 30 8.475 1.340 1.037 1.00 1.00 H new ATOM 0 HD1 PHE A 30 11.815 0.234 -0.244 1.00 1.00 H new ATOM 0 HD2 PHE A 30 8.460 -0.644 2.221 1.00 1.00 H new ATOM 0 HE1 PHE A 30 12.718 -2.004 0.183 1.00 1.00 H new ATOM 0 HE2 PHE A 30 9.365 -2.878 2.659 1.00 1.00 H new ATOM 0 HZ PHE A 30 11.494 -3.571 1.635 1.00 1.00 H new ATOM 484 N GLU A 31 7.584 0.326 -1.004 1.00 1.00 N ATOM 485 CA GLU A 31 6.343 -0.124 -1.627 1.00 1.00 C ATOM 486 C GLU A 31 5.143 0.271 -0.771 1.00 1.00 C ATOM 487 O GLU A 31 5.141 0.047 0.437 1.00 1.00 O ATOM 488 CB GLU A 31 6.362 -1.636 -1.828 1.00 1.00 C ATOM 489 CG GLU A 31 7.745 -2.207 -2.104 1.00 1.00 C ATOM 490 CD GLU A 31 7.696 -3.609 -2.678 1.00 1.00 C ATOM 491 OE1 GLU A 31 6.664 -4.286 -2.501 1.00 1.00 O ATOM 492 OE2 GLU A 31 8.691 -4.022 -3.310 1.00 1.00 O ATOM 0 H GLU A 31 7.855 -0.201 -0.174 1.00 1.00 H new ATOM 0 HA GLU A 31 6.256 0.358 -2.601 1.00 1.00 H new ATOM 0 HB2 GLU A 31 5.953 -2.115 -0.939 1.00 1.00 H new ATOM 0 HB3 GLU A 31 5.703 -1.890 -2.658 1.00 1.00 H new ATOM 0 HG2 GLU A 31 8.272 -1.553 -2.799 1.00 1.00 H new ATOM 0 HG3 GLU A 31 8.320 -2.218 -1.178 1.00 1.00 H new ATOM 499 N VAL A 32 4.130 0.863 -1.397 1.00 1.00 N ATOM 500 CA VAL A 32 2.939 1.293 -0.679 1.00 1.00 C ATOM 501 C VAL A 32 1.701 0.523 -1.131 1.00 1.00 C ATOM 502 O VAL A 32 1.510 0.287 -2.324 1.00 1.00 O ATOM 503 CB VAL A 32 2.688 2.800 -0.866 1.00 1.00 C ATOM 504 CG1 VAL A 32 3.787 3.612 -0.198 1.00 1.00 C ATOM 505 CG2 VAL A 32 2.579 3.145 -2.345 1.00 1.00 C ATOM 0 H VAL A 32 4.112 1.055 -2.399 1.00 1.00 H new ATOM 0 HA VAL A 32 3.120 1.085 0.376 1.00 1.00 H new ATOM 0 HB VAL A 32 1.742 3.054 -0.389 1.00 1.00 H new ATOM 0 HG11 VAL A 32 3.592 4.675 -0.341 1.00 1.00 H new ATOM 0 HG12 VAL A 32 3.808 3.387 0.868 1.00 1.00 H new ATOM 0 HG13 VAL A 32 4.749 3.357 -0.642 1.00 1.00 H new ATOM 0 HG21 VAL A 32 2.402 4.215 -2.457 1.00 1.00 H new ATOM 0 HG22 VAL A 32 3.506 2.876 -2.851 1.00 1.00 H new ATOM 0 HG23 VAL A 32 1.751 2.592 -2.788 1.00 1.00 H new ATOM 515 N CYS A 33 0.861 0.144 -0.169 1.00 1.00 N ATOM 516 CA CYS A 33 -0.359 -0.588 -0.464 1.00 1.00 C ATOM 517 C CYS A 33 -1.340 0.259 -1.257 1.00 1.00 C ATOM 518 O CYS A 33 -1.403 1.476 -1.084 1.00 1.00 O ATOM 519 CB CYS A 33 -1.013 -1.072 0.820 1.00 1.00 C ATOM 520 SG CYS A 33 -1.629 -2.790 0.746 1.00 1.00 S ATOM 0 H CYS A 33 1.008 0.335 0.822 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.085 -1.449 -1.074 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -0.293 -0.991 1.634 1.00 1.00 H new ATOM 0 HB3 CYS A 33 -1.844 -0.410 1.063 1.00 1.00 H new ATOM 525 N VAL A 34 -2.104 -0.386 -2.125 1.00 1.00 N ATOM 526 CA VAL A 34 -3.092 0.295 -2.950 1.00 1.00 C ATOM 527 C VAL A 34 -4.269 -0.621 -3.269 1.00 1.00 C ATOM 528 O VAL A 34 -4.077 -1.721 -3.785 1.00 1.00 O ATOM 529 CB VAL A 34 -2.472 0.792 -4.269 1.00 1.00 C ATOM 530 CG1 VAL A 34 -1.715 2.092 -4.047 1.00 1.00 C ATOM 531 CG2 VAL A 34 -1.564 -0.261 -4.873 1.00 1.00 C ATOM 0 H VAL A 34 -2.058 -1.393 -2.278 1.00 1.00 H new ATOM 0 HA VAL A 34 -3.447 1.151 -2.377 1.00 1.00 H new ATOM 0 HB VAL A 34 -3.282 0.982 -4.974 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -1.284 2.428 -4.990 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -2.400 2.852 -3.670 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -0.918 1.930 -3.321 1.00 1.00 H new ATOM 0 HG21 VAL A 34 -1.139 0.115 -5.804 1.00 1.00 H new ATOM 0 HG22 VAL A 34 -0.760 -0.492 -4.174 1.00 1.00 H new ATOM 0 HG23 VAL A 34 -2.139 -1.164 -5.076 1.00 1.00 H new ATOM 541 N PRO A 35 -5.508 -0.190 -2.960 1.00 1.00 N ATOM 542 CA PRO A 35 -6.712 -0.989 -3.211 1.00 1.00 C ATOM 543 C PRO A 35 -6.861 -1.395 -4.670 1.00 1.00 C ATOM 544 O PRO A 35 -6.718 -0.572 -5.573 1.00 1.00 O ATOM 545 CB PRO A 35 -7.854 -0.053 -2.800 1.00 1.00 C ATOM 546 CG PRO A 35 -7.251 1.297 -2.795 1.00 1.00 C ATOM 547 CD PRO A 35 -5.849 1.088 -2.336 1.00 1.00 C ATOM 0 HA PRO A 35 -6.689 -1.930 -2.661 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -8.686 -0.112 -3.502 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -8.246 -0.315 -1.817 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -7.279 1.746 -3.788 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -7.790 1.968 -2.126 1.00 1.00 H new ATOM 0 HD2 PRO A 35 -5.189 1.891 -2.665 1.00 1.00 H new ATOM 0 HD3 PRO A 35 -5.779 1.042 -1.249 1.00 1.00 H new ATOM 555 N LYS A 36 -7.153 -2.669 -4.886 1.00 1.00 N ATOM 556 CA LYS A 36 -7.332 -3.194 -6.231 1.00 1.00 C ATOM 557 C LYS A 36 -8.630 -2.658 -6.857 1.00 1.00 C ATOM 558 O LYS A 36 -8.727 -1.466 -7.151 1.00 1.00 O ATOM 559 CB LYS A 36 -7.315 -4.729 -6.207 1.00 1.00 C ATOM 560 CG LYS A 36 -8.071 -5.339 -5.037 1.00 1.00 C ATOM 561 CD LYS A 36 -8.482 -6.776 -5.330 1.00 1.00 C ATOM 562 CE LYS A 36 -7.272 -7.691 -5.441 1.00 1.00 C ATOM 563 NZ LYS A 36 -7.594 -8.953 -6.160 1.00 1.00 N ATOM 0 H LYS A 36 -7.271 -3.360 -4.145 1.00 1.00 H new ATOM 0 HA LYS A 36 -6.503 -2.855 -6.853 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -7.744 -5.101 -7.137 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -6.280 -5.070 -6.175 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -7.446 -5.312 -4.144 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -8.957 -4.742 -4.823 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -9.140 -7.136 -4.539 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -9.052 -6.810 -6.259 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -6.470 -7.170 -5.964 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -6.902 -7.926 -4.443 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -6.743 -9.548 -6.214 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -8.342 -9.463 -5.648 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -7.923 -8.731 -7.121 1.00 1.00 H new ATOM 577 N THR A 37 -9.624 -3.525 -7.058 1.00 1.00 N ATOM 578 CA THR A 37 -10.895 -3.111 -7.646 1.00 1.00 C ATOM 579 C THR A 37 -11.692 -2.238 -6.673 1.00 1.00 C ATOM 580 O THR A 37 -12.097 -2.704 -5.608 1.00 1.00 O ATOM 581 CB THR A 37 -11.719 -4.337 -8.038 1.00 1.00 C ATOM 582 OG1 THR A 37 -12.944 -3.948 -8.631 1.00 1.00 O ATOM 583 CG2 THR A 37 -12.042 -5.243 -6.868 1.00 1.00 C ATOM 0 H THR A 37 -9.572 -4.516 -6.822 1.00 1.00 H new ATOM 0 HA THR A 37 -10.679 -2.523 -8.538 1.00 1.00 H new ATOM 0 HB THR A 37 -11.097 -4.889 -8.742 1.00 1.00 H new ATOM 0 HG1 THR A 37 -13.457 -4.746 -8.876 1.00 1.00 H new ATOM 0 HG21 THR A 37 -12.628 -6.093 -7.217 1.00 1.00 H new ATOM 0 HG22 THR A 37 -11.116 -5.601 -6.419 1.00 1.00 H new ATOM 0 HG23 THR A 37 -12.615 -4.688 -6.125 1.00 1.00 H new