USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 267 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 Set 1.1: A 9 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ -176:sc= -4.86! (180deg=-4.96!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.426) USER MOD Single : A 8 GLN : amide:sc= -0.0906 K(o=-0.091,f=-1.3!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -1.29 K(o=-1.3,f=-0.5) USER MOD Single : A 19 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.5) USER MOD Single : A 24 ASN : amide:sc= -2.17 K(o=-2.2,f=-0.17) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 30 SER OG : rot -76:sc= 0.188 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.624 -1.455 -0.254 1.00 54.32 N ATOM 2 CA LYS A 1 1.856 -1.114 -1.653 1.00 13.02 C ATOM 3 C LYS A 1 2.813 0.068 -1.773 1.00 74.24 C ATOM 4 O LYS A 1 2.620 0.953 -2.607 1.00 14.34 O ATOM 5 CB LYS A 1 0.531 -0.784 -2.345 1.00 64.23 C ATOM 6 CG LYS A 1 -0.659 -0.764 -1.403 1.00 13.44 C ATOM 7 CD LYS A 1 -1.146 -2.168 -1.088 1.00 22.32 C ATOM 8 CE LYS A 1 -2.309 -2.569 -1.982 1.00 41.24 C ATOM 9 NZ LYS A 1 -2.042 -3.846 -2.701 1.00 11.24 N ATOM 0 H1 LYS A 1 1.025 -2.303 -0.198 1.00 54.32 H new ATOM 0 H2 LYS A 1 2.534 -1.643 0.213 1.00 54.32 H new ATOM 0 H3 LYS A 1 1.148 -0.663 0.222 1.00 54.32 H new ATOM 0 HA LYS A 1 2.309 -1.977 -2.142 1.00 13.02 H new ATOM 0 HB2 LYS A 1 0.616 0.189 -2.830 1.00 64.23 H new ATOM 0 HB3 LYS A 1 0.349 -1.517 -3.131 1.00 64.23 H new ATOM 0 HG2 LYS A 1 -0.383 -0.258 -0.478 1.00 13.44 H new ATOM 0 HG3 LYS A 1 -1.469 -0.189 -1.851 1.00 13.44 H new ATOM 0 HD2 LYS A 1 -0.327 -2.876 -1.216 1.00 22.32 H new ATOM 0 HD3 LYS A 1 -1.453 -2.222 -0.044 1.00 22.32 H new ATOM 0 HE2 LYS A 1 -3.211 -2.674 -1.379 1.00 41.24 H new ATOM 0 HE3 LYS A 1 -2.500 -1.777 -2.707 1.00 41.24 H new ATOM 0 HZ1 LYS A 1 -2.858 -4.085 -3.300 1.00 11.24 H new ATOM 0 HZ2 LYS A 1 -1.196 -3.739 -3.296 1.00 11.24 H new ATOM 0 HZ3 LYS A 1 -1.885 -4.607 -2.010 1.00 11.24 H new ATOM 23 N VAL A 2 3.846 0.074 -0.937 1.00 51.52 N ATOM 24 CA VAL A 2 4.835 1.146 -0.952 1.00 55.12 C ATOM 25 C VAL A 2 6.234 0.606 -0.683 1.00 25.02 C ATOM 26 O VAL A 2 7.214 1.078 -1.258 1.00 25.31 O ATOM 27 CB VAL A 2 4.504 2.229 0.092 1.00 22.02 C ATOM 28 CG1 VAL A 2 5.693 3.157 0.294 1.00 75.15 C ATOM 29 CG2 VAL A 2 3.270 3.013 -0.326 1.00 53.23 C ATOM 0 H VAL A 2 4.020 -0.651 -0.241 1.00 51.52 H new ATOM 0 HA VAL A 2 4.806 1.590 -1.947 1.00 55.12 H new ATOM 0 HB VAL A 2 4.290 1.740 1.042 1.00 22.02 H new ATOM 0 HG11 VAL A 2 5.441 3.916 1.035 1.00 75.15 H new ATOM 0 HG12 VAL A 2 6.550 2.580 0.643 1.00 75.15 H new ATOM 0 HG13 VAL A 2 5.941 3.641 -0.651 1.00 75.15 H new ATOM 0 HG21 VAL A 2 3.051 3.774 0.423 1.00 53.23 H new ATOM 0 HG22 VAL A 2 3.452 3.493 -1.288 1.00 53.23 H new ATOM 0 HG23 VAL A 2 2.421 2.335 -0.414 1.00 53.23 H new ATOM 39 N GLY A 3 6.321 -0.388 0.196 1.00 13.13 N ATOM 40 CA GLY A 3 7.605 -0.977 0.527 1.00 43.33 C ATOM 41 C GLY A 3 8.124 -1.888 -0.568 1.00 31.11 C ATOM 42 O GLY A 3 9.289 -2.286 -0.554 1.00 41.24 O ATOM 0 H GLY A 3 5.524 -0.796 0.685 1.00 13.13 H new ATOM 0 HA2 GLY A 3 8.329 -0.183 0.709 1.00 43.33 H new ATOM 0 HA3 GLY A 3 7.513 -1.543 1.454 1.00 43.33 H new ATOM 46 N PHE A 4 7.257 -2.222 -1.518 1.00 51.21 N ATOM 47 CA PHE A 4 7.633 -3.095 -2.624 1.00 2.20 C ATOM 48 C PHE A 4 8.268 -2.294 -3.757 1.00 64.20 C ATOM 49 O PHE A 4 9.297 -2.687 -4.309 1.00 13.50 O ATOM 50 CB PHE A 4 6.409 -3.852 -3.143 1.00 41.22 C ATOM 51 CG PHE A 4 5.464 -4.280 -2.057 1.00 52.33 C ATOM 52 CD1 PHE A 4 4.546 -3.387 -1.528 1.00 74.04 C ATOM 53 CD2 PHE A 4 5.494 -5.575 -1.565 1.00 12.50 C ATOM 54 CE1 PHE A 4 3.674 -3.778 -0.529 1.00 51.42 C ATOM 55 CE2 PHE A 4 4.624 -5.971 -0.566 1.00 44.13 C ATOM 56 CZ PHE A 4 3.714 -5.071 -0.047 1.00 23.01 C ATOM 0 H PHE A 4 6.289 -1.901 -1.544 1.00 51.21 H new ATOM 0 HA PHE A 4 8.366 -3.813 -2.255 1.00 2.20 H new ATOM 0 HB2 PHE A 4 5.874 -3.219 -3.851 1.00 41.22 H new ATOM 0 HB3 PHE A 4 6.742 -4.733 -3.692 1.00 41.22 H new ATOM 0 HD1 PHE A 4 4.511 -2.374 -1.900 1.00 74.04 H new ATOM 0 HD2 PHE A 4 6.205 -6.283 -1.966 1.00 12.50 H new ATOM 0 HE1 PHE A 4 2.962 -3.073 -0.126 1.00 51.42 H new ATOM 0 HE2 PHE A 4 4.656 -6.984 -0.192 1.00 44.13 H new ATOM 0 HZ PHE A 4 3.035 -5.378 0.735 1.00 23.01 H new ATOM 66 N PHE A 5 7.648 -1.170 -4.099 1.00 40.21 N ATOM 67 CA PHE A 5 8.151 -0.314 -5.167 1.00 52.23 C ATOM 68 C PHE A 5 9.479 0.325 -4.772 1.00 52.54 C ATOM 69 O PHE A 5 10.317 0.620 -5.625 1.00 2.25 O ATOM 70 CB PHE A 5 7.128 0.774 -5.502 1.00 71.32 C ATOM 71 CG PHE A 5 5.736 0.246 -5.702 1.00 12.30 C ATOM 72 CD1 PHE A 5 4.915 -0.010 -4.615 1.00 42.44 C ATOM 73 CD2 PHE A 5 5.248 0.006 -6.976 1.00 61.05 C ATOM 74 CE1 PHE A 5 3.633 -0.495 -4.796 1.00 4.43 C ATOM 75 CE2 PHE A 5 3.967 -0.479 -7.163 1.00 3.41 C ATOM 76 CZ PHE A 5 3.159 -0.730 -6.071 1.00 64.42 C ATOM 0 H PHE A 5 6.796 -0.830 -3.652 1.00 40.21 H new ATOM 0 HA PHE A 5 8.314 -0.934 -6.049 1.00 52.23 H new ATOM 0 HB2 PHE A 5 7.117 1.511 -4.699 1.00 71.32 H new ATOM 0 HB3 PHE A 5 7.445 1.293 -6.407 1.00 71.32 H new ATOM 0 HD1 PHE A 5 5.281 0.171 -3.615 1.00 42.44 H new ATOM 0 HD2 PHE A 5 5.876 0.200 -7.833 1.00 61.05 H new ATOM 0 HE1 PHE A 5 3.003 -0.690 -3.941 1.00 4.43 H new ATOM 0 HE2 PHE A 5 3.598 -0.661 -8.162 1.00 3.41 H new ATOM 0 HZ PHE A 5 2.158 -1.109 -6.215 1.00 64.42 H new ATOM 86 N LYS A 6 9.663 0.538 -3.474 1.00 22.12 N ATOM 87 CA LYS A 6 10.888 1.141 -2.963 1.00 44.52 C ATOM 88 C LYS A 6 12.112 0.347 -3.408 1.00 4.24 C ATOM 89 O LYS A 6 13.171 0.917 -3.672 1.00 22.00 O ATOM 90 CB LYS A 6 10.845 1.219 -1.435 1.00 53.15 C ATOM 91 CG LYS A 6 10.812 2.640 -0.899 1.00 61.13 C ATOM 92 CD LYS A 6 9.866 2.768 0.283 1.00 42.21 C ATOM 93 CE LYS A 6 9.499 4.220 0.548 1.00 55.25 C ATOM 94 NZ LYS A 6 8.634 4.363 1.752 1.00 63.12 N ATOM 0 H LYS A 6 8.978 0.302 -2.756 1.00 22.12 H new ATOM 0 HA LYS A 6 10.963 2.150 -3.370 1.00 44.52 H new ATOM 0 HB2 LYS A 6 9.965 0.684 -1.077 1.00 53.15 H new ATOM 0 HB3 LYS A 6 11.717 0.707 -1.029 1.00 53.15 H new ATOM 0 HG2 LYS A 6 11.816 2.939 -0.597 1.00 61.13 H new ATOM 0 HG3 LYS A 6 10.501 3.321 -1.691 1.00 61.13 H new ATOM 0 HD2 LYS A 6 8.961 2.192 0.090 1.00 42.21 H new ATOM 0 HD3 LYS A 6 10.332 2.341 1.171 1.00 42.21 H new ATOM 0 HE2 LYS A 6 10.408 4.806 0.683 1.00 55.25 H new ATOM 0 HE3 LYS A 6 8.983 4.628 -0.321 1.00 55.25 H new ATOM 0 HZ1 LYS A 6 7.999 5.177 1.629 1.00 63.12 H new ATOM 0 HZ2 LYS A 6 8.069 3.499 1.878 1.00 63.12 H new ATOM 0 HZ3 LYS A 6 9.229 4.513 2.591 1.00 63.12 H new ATOM 108 N ARG A 7 11.960 -0.970 -3.489 1.00 34.50 N ATOM 109 CA ARG A 7 13.053 -1.842 -3.902 1.00 32.32 C ATOM 110 C ARG A 7 12.801 -2.407 -5.297 1.00 12.21 C ATOM 111 O ARG A 7 13.723 -2.880 -5.961 1.00 32.05 O ATOM 112 CB ARG A 7 13.227 -2.986 -2.901 1.00 71.21 C ATOM 113 CG ARG A 7 12.026 -3.914 -2.821 1.00 54.04 C ATOM 114 CD ARG A 7 11.885 -4.526 -1.436 1.00 65.25 C ATOM 115 NE ARG A 7 10.670 -5.326 -1.312 1.00 14.51 N ATOM 116 CZ ARG A 7 10.548 -6.558 -1.793 1.00 12.14 C ATOM 117 NH1 ARG A 7 11.563 -7.129 -2.426 1.00 73.21 N ATOM 118 NH2 ARG A 7 9.409 -7.222 -1.639 1.00 50.54 N ATOM 0 H ARG A 7 11.090 -1.457 -3.274 1.00 34.50 H new ATOM 0 HA ARG A 7 13.967 -1.249 -3.929 1.00 32.32 H new ATOM 0 HB2 ARG A 7 14.107 -3.567 -3.176 1.00 71.21 H new ATOM 0 HB3 ARG A 7 13.418 -2.567 -1.913 1.00 71.21 H new ATOM 0 HG2 ARG A 7 11.120 -3.361 -3.069 1.00 54.04 H new ATOM 0 HG3 ARG A 7 12.128 -4.707 -3.562 1.00 54.04 H new ATOM 0 HD2 ARG A 7 12.753 -5.151 -1.226 1.00 65.25 H new ATOM 0 HD3 ARG A 7 11.874 -3.733 -0.689 1.00 65.25 H new ATOM 0 HE ARG A 7 9.870 -4.916 -0.829 1.00 14.51 H new ATOM 0 HH11 ARG A 7 12.440 -6.622 -2.545 1.00 73.21 H new ATOM 0 HH12 ARG A 7 11.467 -8.075 -2.794 1.00 73.21 H new ATOM 0 HH21 ARG A 7 8.627 -6.786 -1.151 1.00 50.54 H new ATOM 0 HH22 ARG A 7 9.316 -8.168 -2.009 1.00 50.54 H new ATOM 132 N GLN A 8 11.547 -2.353 -5.734 1.00 34.13 N ATOM 133 CA GLN A 8 11.174 -2.860 -7.049 1.00 70.30 C ATOM 134 C GLN A 8 11.305 -1.772 -8.109 1.00 53.32 C ATOM 135 O GLN A 8 11.858 -2.002 -9.185 1.00 3.14 O ATOM 136 CB GLN A 8 9.741 -3.396 -7.025 1.00 65.22 C ATOM 137 CG GLN A 8 9.600 -4.722 -6.295 1.00 61.12 C ATOM 138 CD GLN A 8 9.672 -5.913 -7.230 1.00 34.51 C ATOM 139 OE1 GLN A 8 10.016 -5.776 -8.404 1.00 60.21 O ATOM 140 NE2 GLN A 8 9.346 -7.092 -6.713 1.00 32.42 N ATOM 0 H GLN A 8 10.772 -1.963 -5.197 1.00 34.13 H new ATOM 0 HA GLN A 8 11.854 -3.673 -7.303 1.00 70.30 H new ATOM 0 HB2 GLN A 8 9.094 -2.659 -6.550 1.00 65.22 H new ATOM 0 HB3 GLN A 8 9.389 -3.516 -8.050 1.00 65.22 H new ATOM 0 HG2 GLN A 8 10.387 -4.805 -5.545 1.00 61.12 H new ATOM 0 HG3 GLN A 8 8.649 -4.740 -5.762 1.00 61.12 H new ATOM 0 HE21 GLN A 8 9.066 -7.160 -5.734 1.00 32.42 H new ATOM 0 HE22 GLN A 8 9.375 -7.930 -7.294 1.00 32.42 H new ATOM 149 N TYR A 9 10.791 -0.586 -7.799 1.00 64.52 N ATOM 150 CA TYR A 9 10.848 0.537 -8.727 1.00 2.25 C ATOM 151 C TYR A 9 12.291 0.968 -8.973 1.00 70.53 C ATOM 152 O TYR A 9 12.682 1.253 -10.105 1.00 72.14 O ATOM 153 CB TYR A 9 10.039 1.716 -8.183 1.00 33.32 C ATOM 154 CG TYR A 9 10.015 2.912 -9.108 1.00 33.25 C ATOM 155 CD1 TYR A 9 11.150 3.689 -9.299 1.00 4.31 C ATOM 156 CD2 TYR A 9 8.857 3.265 -9.789 1.00 13.11 C ATOM 157 CE1 TYR A 9 11.133 4.783 -10.142 1.00 42.42 C ATOM 158 CE2 TYR A 9 8.831 4.357 -10.635 1.00 73.42 C ATOM 159 CZ TYR A 9 9.971 5.113 -10.808 1.00 62.34 C ATOM 160 OH TYR A 9 9.949 6.202 -11.649 1.00 60.55 O ATOM 0 H TYR A 9 10.331 -0.378 -6.913 1.00 64.52 H new ATOM 0 HA TYR A 9 10.417 0.214 -9.675 1.00 2.25 H new ATOM 0 HB2 TYR A 9 9.016 1.389 -7.999 1.00 33.32 H new ATOM 0 HB3 TYR A 9 10.455 2.019 -7.222 1.00 33.32 H new ATOM 0 HD1 TYR A 9 12.062 3.433 -8.779 1.00 4.31 H new ATOM 0 HD2 TYR A 9 7.962 2.676 -9.655 1.00 13.11 H new ATOM 0 HE1 TYR A 9 12.025 5.377 -10.279 1.00 42.42 H new ATOM 0 HE2 TYR A 9 7.923 4.617 -11.158 1.00 73.42 H new ATOM 0 HH TYR A 9 9.055 6.295 -12.040 1.00 60.55 H new ATOM 170 N LYS A 10 13.079 1.011 -7.905 1.00 3.34 N ATOM 171 CA LYS A 10 14.480 1.404 -8.002 1.00 50.41 C ATOM 172 C LYS A 10 15.272 0.394 -8.826 1.00 44.50 C ATOM 173 O LYS A 10 16.215 0.757 -9.529 1.00 54.43 O ATOM 174 CB LYS A 10 15.093 1.533 -6.606 1.00 23.21 C ATOM 175 CG LYS A 10 15.060 0.242 -5.806 1.00 14.33 C ATOM 176 CD LYS A 10 16.261 -0.635 -6.112 1.00 64.53 C ATOM 177 CE LYS A 10 17.163 -0.790 -4.897 1.00 71.40 C ATOM 178 NZ LYS A 10 17.992 -2.025 -4.975 1.00 43.25 N ATOM 0 H LYS A 10 12.771 0.778 -6.961 1.00 3.34 H new ATOM 0 HA LYS A 10 14.527 2.371 -8.503 1.00 50.41 H new ATOM 0 HB2 LYS A 10 16.127 1.865 -6.701 1.00 23.21 H new ATOM 0 HB3 LYS A 10 14.559 2.307 -6.054 1.00 23.21 H new ATOM 0 HG2 LYS A 10 15.039 0.473 -4.741 1.00 14.33 H new ATOM 0 HG3 LYS A 10 14.143 -0.303 -6.031 1.00 14.33 H new ATOM 0 HD2 LYS A 10 15.921 -1.617 -6.442 1.00 64.53 H new ATOM 0 HD3 LYS A 10 16.829 -0.201 -6.935 1.00 64.53 H new ATOM 0 HE2 LYS A 10 17.814 0.080 -4.815 1.00 71.40 H new ATOM 0 HE3 LYS A 10 16.554 -0.818 -3.994 1.00 71.40 H new ATOM 0 HZ1 LYS A 10 18.593 -2.094 -4.129 1.00 43.25 H new ATOM 0 HZ2 LYS A 10 17.371 -2.857 -5.028 1.00 43.25 H new ATOM 0 HZ3 LYS A 10 18.592 -1.987 -5.823 1.00 43.25 H new ATOM 192 N GLU A 11 14.883 -0.873 -8.734 1.00 73.25 N ATOM 193 CA GLU A 11 15.557 -1.934 -9.473 1.00 25.33 C ATOM 194 C GLU A 11 15.193 -1.883 -10.954 1.00 24.12 C ATOM 195 O GLU A 11 16.033 -2.132 -11.819 1.00 35.22 O ATOM 196 CB GLU A 11 15.191 -3.302 -8.893 1.00 74.12 C ATOM 197 CG GLU A 11 16.148 -3.784 -7.816 1.00 45.35 C ATOM 198 CD GLU A 11 16.403 -5.277 -7.888 1.00 4.22 C ATOM 199 OE1 GLU A 11 15.426 -6.050 -7.802 1.00 0.40 O ATOM 200 OE2 GLU A 11 17.579 -5.672 -8.029 1.00 62.42 O ATOM 0 H GLU A 11 14.105 -1.190 -8.155 1.00 73.25 H new ATOM 0 HA GLU A 11 16.632 -1.782 -9.376 1.00 25.33 H new ATOM 0 HB2 GLU A 11 14.185 -3.253 -8.477 1.00 74.12 H new ATOM 0 HB3 GLU A 11 15.167 -4.034 -9.700 1.00 74.12 H new ATOM 0 HG2 GLU A 11 17.095 -3.252 -7.912 1.00 45.35 H new ATOM 0 HG3 GLU A 11 15.741 -3.536 -6.836 1.00 45.35 H new ATOM 207 N MET A 12 13.936 -1.559 -11.237 1.00 42.31 N ATOM 208 CA MET A 12 13.461 -1.474 -12.613 1.00 73.12 C ATOM 209 C MET A 12 13.984 -0.213 -13.293 1.00 4.23 C ATOM 210 O MET A 12 14.097 -0.158 -14.517 1.00 12.51 O ATOM 211 CB MET A 12 11.931 -1.489 -12.649 1.00 23.13 C ATOM 212 CG MET A 12 11.335 -2.883 -12.539 1.00 54.13 C ATOM 213 SD MET A 12 10.413 -3.362 -14.013 1.00 50.53 S ATOM 214 CE MET A 12 8.998 -4.176 -13.278 1.00 34.40 C ATOM 0 H MET A 12 13.228 -1.351 -10.533 1.00 42.31 H new ATOM 0 HA MET A 12 13.839 -2.341 -13.155 1.00 73.12 H new ATOM 0 HB2 MET A 12 11.550 -0.874 -11.833 1.00 23.13 H new ATOM 0 HB3 MET A 12 11.593 -1.030 -13.578 1.00 23.13 H new ATOM 0 HG2 MET A 12 12.135 -3.603 -12.365 1.00 54.13 H new ATOM 0 HG3 MET A 12 10.675 -2.924 -11.673 1.00 54.13 H new ATOM 0 HE1 MET A 12 8.332 -4.529 -14.065 1.00 34.40 H new ATOM 0 HE2 MET A 12 9.335 -5.023 -12.681 1.00 34.40 H new ATOM 0 HE3 MET A 12 8.464 -3.472 -12.640 1.00 34.40 H new ATOM 224 N MET A 13 14.303 0.798 -12.490 1.00 72.43 N ATOM 225 CA MET A 13 14.815 2.058 -13.015 1.00 64.25 C ATOM 226 C MET A 13 16.308 1.955 -13.314 1.00 11.53 C ATOM 227 O MET A 13 16.793 2.518 -14.294 1.00 44.23 O ATOM 228 CB MET A 13 14.559 3.192 -12.021 1.00 33.41 C ATOM 229 CG MET A 13 13.809 4.369 -12.622 1.00 43.43 C ATOM 230 SD MET A 13 14.774 5.892 -12.598 1.00 44.30 S ATOM 231 CE MET A 13 13.471 7.120 -12.631 1.00 74.10 C ATOM 0 H MET A 13 14.216 0.769 -11.474 1.00 72.43 H new ATOM 0 HA MET A 13 14.290 2.275 -13.945 1.00 64.25 H new ATOM 0 HB2 MET A 13 13.990 2.802 -11.177 1.00 33.41 H new ATOM 0 HB3 MET A 13 15.514 3.542 -11.628 1.00 33.41 H new ATOM 0 HG2 MET A 13 13.535 4.133 -13.650 1.00 43.43 H new ATOM 0 HG3 MET A 13 12.881 4.523 -12.072 1.00 43.43 H new ATOM 0 HE1 MET A 13 13.911 8.117 -12.620 1.00 74.10 H new ATOM 0 HE2 MET A 13 12.876 6.995 -13.536 1.00 74.10 H new ATOM 0 HE3 MET A 13 12.832 6.996 -11.757 1.00 74.10 H new ATOM 241 N GLU A 14 17.029 1.234 -12.461 1.00 42.22 N ATOM 242 CA GLU A 14 18.467 1.060 -12.634 1.00 54.34 C ATOM 243 C GLU A 14 18.764 0.094 -13.778 1.00 11.24 C ATOM 244 O GLU A 14 19.800 0.194 -14.434 1.00 21.23 O ATOM 245 CB GLU A 14 19.100 0.546 -11.340 1.00 2.41 C ATOM 246 CG GLU A 14 19.725 1.641 -10.492 1.00 0.24 C ATOM 247 CD GLU A 14 20.085 1.165 -9.098 1.00 2.33 C ATOM 248 OE1 GLU A 14 19.165 0.778 -8.347 1.00 72.15 O ATOM 249 OE2 GLU A 14 21.286 1.180 -8.757 1.00 3.31 O ATOM 0 H GLU A 14 16.642 0.761 -11.644 1.00 42.22 H new ATOM 0 HA GLU A 14 18.898 2.031 -12.880 1.00 54.34 H new ATOM 0 HB2 GLU A 14 18.339 0.032 -10.752 1.00 2.41 H new ATOM 0 HB3 GLU A 14 19.864 -0.191 -11.587 1.00 2.41 H new ATOM 0 HG2 GLU A 14 20.622 2.012 -10.988 1.00 0.24 H new ATOM 0 HG3 GLU A 14 19.032 2.479 -10.418 1.00 0.24 H new ATOM 256 N GLU A 15 17.847 -0.840 -14.009 1.00 20.35 N ATOM 257 CA GLU A 15 18.012 -1.825 -15.071 1.00 72.21 C ATOM 258 C GLU A 15 17.717 -1.208 -16.435 1.00 45.04 C ATOM 259 O GLU A 15 18.293 -1.609 -17.447 1.00 12.43 O ATOM 260 CB GLU A 15 17.092 -3.024 -14.833 1.00 20.45 C ATOM 261 CG GLU A 15 15.720 -2.875 -15.469 1.00 22.45 C ATOM 262 CD GLU A 15 14.708 -3.856 -14.909 1.00 61.32 C ATOM 263 OE1 GLU A 15 15.130 -4.840 -14.266 1.00 34.41 O ATOM 264 OE2 GLU A 15 13.496 -3.640 -15.115 1.00 34.54 O ATOM 0 H GLU A 15 16.983 -0.935 -13.475 1.00 20.35 H new ATOM 0 HA GLU A 15 19.048 -2.163 -15.060 1.00 72.21 H new ATOM 0 HB2 GLU A 15 17.570 -3.921 -15.226 1.00 20.45 H new ATOM 0 HB3 GLU A 15 16.971 -3.171 -13.760 1.00 20.45 H new ATOM 0 HG2 GLU A 15 15.360 -1.858 -15.313 1.00 22.45 H new ATOM 0 HG3 GLU A 15 15.805 -3.021 -16.546 1.00 22.45 H new ATOM 271 N ALA A 16 16.817 -0.231 -16.454 1.00 51.13 N ATOM 272 CA ALA A 16 16.447 0.443 -17.693 1.00 34.13 C ATOM 273 C ALA A 16 17.258 1.719 -17.887 1.00 12.52 C ATOM 274 O ALA A 16 17.227 2.329 -18.955 1.00 64.21 O ATOM 275 CB ALA A 16 14.958 0.755 -17.699 1.00 14.44 C ATOM 0 H ALA A 16 16.330 0.112 -15.626 1.00 51.13 H new ATOM 0 HA ALA A 16 16.670 -0.227 -18.523 1.00 34.13 H new ATOM 0 HB1 ALA A 16 14.695 1.258 -18.630 1.00 14.44 H new ATOM 0 HB2 ALA A 16 14.392 -0.173 -17.616 1.00 14.44 H new ATOM 0 HB3 ALA A 16 14.719 1.403 -16.856 1.00 14.44 H new ATOM 281 N ASN A 17 17.982 2.119 -16.846 1.00 70.14 N ATOM 282 CA ASN A 17 18.801 3.325 -16.903 1.00 34.43 C ATOM 283 C ASN A 17 20.177 3.021 -17.487 1.00 73.14 C ATOM 284 O ASN A 17 20.948 3.930 -17.791 1.00 23.13 O ATOM 285 CB ASN A 17 18.950 3.930 -15.506 1.00 0.43 C ATOM 286 CG ASN A 17 17.914 5.002 -15.226 1.00 41.15 C ATOM 287 OD1 ASN A 17 18.163 5.940 -14.469 1.00 24.35 O ATOM 288 ND2 ASN A 17 16.744 4.867 -15.839 1.00 53.53 N ATOM 0 H ASN A 17 18.018 1.626 -15.954 1.00 70.14 H new ATOM 0 HA ASN A 17 18.301 4.044 -17.552 1.00 34.43 H new ATOM 0 HB2 ASN A 17 18.862 3.140 -14.760 1.00 0.43 H new ATOM 0 HB3 ASN A 17 19.948 4.357 -15.403 1.00 0.43 H new ATOM 0 HD21 ASN A 17 16.008 5.557 -15.691 1.00 53.53 H new ATOM 0 HD22 ASN A 17 16.581 4.073 -16.458 1.00 53.53 H new ATOM 295 N GLY A 18 20.477 1.735 -17.643 1.00 50.03 N ATOM 296 CA GLY A 18 21.759 1.334 -18.192 1.00 24.15 C ATOM 297 C GLY A 18 22.557 0.474 -17.231 1.00 43.50 C ATOM 298 O GLY A 18 23.765 0.658 -17.081 1.00 52.22 O ATOM 0 H GLY A 18 19.855 0.964 -17.399 1.00 50.03 H new ATOM 0 HA2 GLY A 18 21.598 0.784 -19.119 1.00 24.15 H new ATOM 0 HA3 GLY A 18 22.337 2.223 -18.445 1.00 24.15 H new ATOM 302 N GLN A 19 21.881 -0.465 -16.578 1.00 53.11 N ATOM 303 CA GLN A 19 22.535 -1.354 -15.625 1.00 52.22 C ATOM 304 C GLN A 19 23.818 -1.932 -16.212 1.00 44.52 C ATOM 305 O GLN A 19 24.736 -2.301 -15.479 1.00 61.00 O ATOM 306 CB GLN A 19 21.590 -2.487 -15.221 1.00 12.21 C ATOM 307 CG GLN A 19 22.304 -3.695 -14.637 1.00 73.44 C ATOM 308 CD GLN A 19 23.148 -3.347 -13.428 1.00 4.52 C ATOM 309 OE1 GLN A 19 24.303 -3.762 -13.321 1.00 75.24 O ATOM 310 NE2 GLN A 19 22.576 -2.579 -12.508 1.00 5.25 N ATOM 0 H GLN A 19 20.881 -0.630 -16.691 1.00 53.11 H new ATOM 0 HA GLN A 19 22.792 -0.771 -14.740 1.00 52.22 H new ATOM 0 HB2 GLN A 19 20.875 -2.109 -14.490 1.00 12.21 H new ATOM 0 HB3 GLN A 19 21.018 -2.801 -16.094 1.00 12.21 H new ATOM 0 HG2 GLN A 19 21.567 -4.447 -14.356 1.00 73.44 H new ATOM 0 HG3 GLN A 19 22.939 -4.142 -15.402 1.00 73.44 H new ATOM 0 HE21 GLN A 19 21.617 -2.257 -12.637 1.00 5.25 H new ATOM 0 HE22 GLN A 19 23.096 -2.311 -11.673 1.00 5.25 H new ATOM 319 N ILE A 20 23.875 -2.007 -17.538 1.00 5.44 N ATOM 320 CA ILE A 20 25.047 -2.539 -18.222 1.00 41.22 C ATOM 321 C ILE A 20 25.648 -1.505 -19.168 1.00 52.33 C ATOM 322 O ILE A 20 26.752 -1.685 -19.681 1.00 2.45 O ATOM 323 CB ILE A 20 24.703 -3.810 -19.021 1.00 25.13 C ATOM 324 CG1 ILE A 20 23.502 -4.522 -18.395 1.00 62.34 C ATOM 325 CG2 ILE A 20 25.906 -4.740 -19.079 1.00 21.20 C ATOM 326 CD1 ILE A 20 22.169 -4.010 -18.895 1.00 22.34 C ATOM 0 H ILE A 20 23.124 -1.706 -18.159 1.00 5.44 H new ATOM 0 HA ILE A 20 25.776 -2.790 -17.451 1.00 41.22 H new ATOM 0 HB ILE A 20 24.441 -3.522 -20.039 1.00 25.13 H new ATOM 0 HG12 ILE A 20 23.573 -5.590 -18.603 1.00 62.34 H new ATOM 0 HG13 ILE A 20 23.544 -4.405 -17.312 1.00 62.34 H new ATOM 0 HG21 ILE A 20 25.648 -5.634 -19.647 1.00 21.20 H new ATOM 0 HG22 ILE A 20 26.738 -4.229 -19.565 1.00 21.20 H new ATOM 0 HG23 ILE A 20 26.196 -5.024 -18.067 1.00 21.20 H new ATOM 0 HD11 ILE A 20 21.363 -4.560 -18.409 1.00 22.34 H new ATOM 0 HD12 ILE A 20 22.076 -2.949 -18.663 1.00 22.34 H new ATOM 0 HD13 ILE A 20 22.106 -4.152 -19.974 1.00 22.34 H new ATOM 338 N ALA A 21 24.913 -0.420 -19.394 1.00 64.33 N ATOM 339 CA ALA A 21 25.375 0.645 -20.276 1.00 21.04 C ATOM 340 C ALA A 21 25.795 1.874 -19.477 1.00 44.43 C ATOM 341 O ALA A 21 25.484 2.012 -18.294 1.00 42.21 O ATOM 342 CB ALA A 21 24.289 1.009 -21.277 1.00 0.41 C ATOM 0 H ALA A 21 23.996 -0.256 -18.979 1.00 64.33 H new ATOM 0 HA ALA A 21 26.247 0.282 -20.820 1.00 21.04 H new ATOM 0 HB1 ALA A 21 24.647 1.805 -21.929 1.00 0.41 H new ATOM 0 HB2 ALA A 21 24.039 0.134 -21.877 1.00 0.41 H new ATOM 0 HB3 ALA A 21 23.401 1.349 -20.743 1.00 0.41 H new ATOM 348 N PRO A 22 26.520 2.790 -20.137 1.00 41.01 N ATOM 349 CA PRO A 22 26.999 4.024 -19.508 1.00 12.34 C ATOM 350 C PRO A 22 25.865 4.998 -19.204 1.00 71.30 C ATOM 351 O PRO A 22 26.083 6.050 -18.605 1.00 13.11 O ATOM 352 CB PRO A 22 27.944 4.615 -20.557 1.00 75.44 C ATOM 353 CG PRO A 22 27.460 4.064 -21.854 1.00 62.35 C ATOM 354 CD PRO A 22 26.928 2.691 -21.549 1.00 13.13 C ATOM 0 HA PRO A 22 27.475 3.832 -18.546 1.00 12.34 H new ATOM 0 HB2 PRO A 22 27.910 5.704 -20.552 1.00 75.44 H new ATOM 0 HB3 PRO A 22 28.978 4.328 -20.366 1.00 75.44 H new ATOM 0 HG2 PRO A 22 26.683 4.698 -22.281 1.00 62.35 H new ATOM 0 HG3 PRO A 22 28.269 4.016 -22.583 1.00 62.35 H new ATOM 0 HD2 PRO A 22 26.087 2.433 -22.193 1.00 13.13 H new ATOM 0 HD3 PRO A 22 27.688 1.924 -21.695 1.00 13.13 H new ATOM 362 N GLU A 23 24.655 4.638 -19.621 1.00 51.31 N ATOM 363 CA GLU A 23 23.487 5.482 -19.393 1.00 64.42 C ATOM 364 C GLU A 23 23.186 5.602 -17.902 1.00 43.50 C ATOM 365 O GLU A 23 22.690 6.629 -17.440 1.00 22.24 O ATOM 366 CB GLU A 23 22.270 4.914 -20.126 1.00 51.30 C ATOM 367 CG GLU A 23 22.177 5.349 -21.579 1.00 70.00 C ATOM 368 CD GLU A 23 21.631 4.259 -22.480 1.00 72.24 C ATOM 369 OE1 GLU A 23 22.395 3.331 -22.818 1.00 23.52 O ATOM 370 OE2 GLU A 23 20.440 4.334 -22.848 1.00 60.44 O ATOM 0 H GLU A 23 24.458 3.769 -20.118 1.00 51.31 H new ATOM 0 HA GLU A 23 23.706 6.476 -19.783 1.00 64.42 H new ATOM 0 HB2 GLU A 23 22.306 3.825 -20.083 1.00 51.30 H new ATOM 0 HB3 GLU A 23 21.365 5.224 -19.604 1.00 51.30 H new ATOM 0 HG2 GLU A 23 21.538 6.229 -21.651 1.00 70.00 H new ATOM 0 HG3 GLU A 23 23.166 5.644 -21.930 1.00 70.00 H new ATOM 377 N ASN A 24 23.490 4.546 -17.155 1.00 61.35 N ATOM 378 CA ASN A 24 23.251 4.532 -15.717 1.00 3.12 C ATOM 379 C ASN A 24 23.877 5.753 -15.050 1.00 4.21 C ATOM 380 O ASN A 24 25.092 5.818 -14.864 1.00 32.41 O ATOM 381 CB ASN A 24 23.817 3.253 -15.097 1.00 34.40 C ATOM 382 CG ASN A 24 22.805 2.539 -14.221 1.00 62.31 C ATOM 383 OD1 ASN A 24 22.999 2.404 -13.013 1.00 25.31 O ATOM 384 ND2 ASN A 24 21.718 2.077 -14.828 1.00 41.34 N ATOM 0 H ASN A 24 23.903 3.688 -17.522 1.00 61.35 H new ATOM 0 HA ASN A 24 22.174 4.562 -15.553 1.00 3.12 H new ATOM 0 HB2 ASN A 24 24.144 2.582 -15.891 1.00 34.40 H new ATOM 0 HB3 ASN A 24 24.698 3.499 -14.504 1.00 34.40 H new ATOM 0 HD21 ASN A 24 21.003 1.588 -14.290 1.00 41.34 H new ATOM 0 HD22 ASN A 24 21.598 2.212 -15.832 1.00 41.34 H new ATOM 391 N GLY A 25 23.038 6.720 -14.691 1.00 44.55 N ATOM 392 CA GLY A 25 23.527 7.926 -14.049 1.00 5.32 C ATOM 393 C GLY A 25 23.230 9.175 -14.855 1.00 74.33 C ATOM 394 O GLY A 25 23.462 10.292 -14.393 1.00 44.44 O ATOM 0 H GLY A 25 22.028 6.690 -14.833 1.00 44.55 H new ATOM 0 HA2 GLY A 25 23.073 8.018 -13.062 1.00 5.32 H new ATOM 0 HA3 GLY A 25 24.603 7.842 -13.898 1.00 5.32 H new ATOM 398 N THR A 26 22.714 8.986 -16.066 1.00 40.32 N ATOM 399 CA THR A 26 22.387 10.106 -16.940 1.00 73.31 C ATOM 400 C THR A 26 20.948 10.563 -16.732 1.00 55.11 C ATOM 401 O THR A 26 20.636 11.745 -16.876 1.00 70.12 O ATOM 402 CB THR A 26 22.587 9.739 -18.423 1.00 25.55 C ATOM 403 OG1 THR A 26 22.583 10.924 -19.226 1.00 33.12 O ATOM 404 CG2 THR A 26 21.495 8.793 -18.898 1.00 61.25 C ATOM 0 H THR A 26 22.514 8.068 -16.463 1.00 40.32 H new ATOM 0 HA THR A 26 23.065 10.918 -16.680 1.00 73.31 H new ATOM 0 HB THR A 26 23.549 9.237 -18.524 1.00 25.55 H new ATOM 0 HG1 THR A 26 22.712 10.682 -20.167 1.00 33.12 H new ATOM 0 HG21 THR A 26 21.657 8.548 -19.948 1.00 61.25 H new ATOM 0 HG22 THR A 26 21.521 7.880 -18.304 1.00 61.25 H new ATOM 0 HG23 THR A 26 20.523 9.273 -18.783 1.00 61.25 H new ATOM 412 N GLN A 27 20.075 9.620 -16.392 1.00 20.01 N ATOM 413 CA GLN A 27 18.668 9.928 -16.164 1.00 61.21 C ATOM 414 C GLN A 27 18.304 9.755 -14.693 1.00 44.11 C ATOM 415 O GLN A 27 17.236 10.181 -14.252 1.00 22.30 O ATOM 416 CB GLN A 27 17.781 9.031 -17.030 1.00 4.03 C ATOM 417 CG GLN A 27 17.787 9.409 -18.502 1.00 64.42 C ATOM 418 CD GLN A 27 16.421 9.272 -19.145 1.00 43.42 C ATOM 419 OE1 GLN A 27 15.937 8.163 -19.372 1.00 41.33 O ATOM 420 NE2 GLN A 27 15.791 10.403 -19.442 1.00 62.14 N ATOM 0 H GLN A 27 20.317 8.637 -16.268 1.00 20.01 H new ATOM 0 HA GLN A 27 18.501 10.969 -16.441 1.00 61.21 H new ATOM 0 HB2 GLN A 27 18.113 7.998 -16.927 1.00 4.03 H new ATOM 0 HB3 GLN A 27 16.758 9.076 -16.656 1.00 4.03 H new ATOM 0 HG2 GLN A 27 18.133 10.437 -18.608 1.00 64.42 H new ATOM 0 HG3 GLN A 27 18.499 8.777 -19.033 1.00 64.42 H new ATOM 0 HE21 GLN A 27 16.230 11.300 -19.236 1.00 62.14 H new ATOM 0 HE22 GLN A 27 14.868 10.374 -19.876 1.00 62.14 H new ATOM 429 N THR A 28 19.200 9.127 -13.937 1.00 14.32 N ATOM 430 CA THR A 28 18.972 8.897 -12.516 1.00 25.32 C ATOM 431 C THR A 28 18.487 10.165 -11.824 1.00 15.02 C ATOM 432 O THR A 28 18.730 11.282 -12.280 1.00 3.31 O ATOM 433 CB THR A 28 20.252 8.401 -11.816 1.00 11.45 C ATOM 434 OG1 THR A 28 19.994 7.165 -11.141 1.00 71.22 O ATOM 435 CG2 THR A 28 20.757 9.433 -10.818 1.00 51.01 C ATOM 0 H THR A 28 20.089 8.769 -14.285 1.00 14.32 H new ATOM 0 HA THR A 28 18.203 8.129 -12.439 1.00 25.32 H new ATOM 0 HB THR A 28 21.018 8.247 -12.576 1.00 11.45 H new ATOM 0 HG1 THR A 28 20.813 6.856 -10.700 1.00 71.22 H new ATOM 0 HG21 THR A 28 21.661 9.061 -10.336 1.00 51.01 H new ATOM 0 HG22 THR A 28 20.980 10.364 -11.339 1.00 51.01 H new ATOM 0 HG23 THR A 28 19.992 9.614 -10.063 1.00 51.01 H new ATOM 443 N PRO A 29 17.783 9.992 -10.695 1.00 73.32 N ATOM 444 CA PRO A 29 17.249 11.112 -9.915 1.00 52.33 C ATOM 445 C PRO A 29 18.347 11.912 -9.223 1.00 42.44 C ATOM 446 O PRO A 29 18.453 11.908 -7.997 1.00 61.41 O ATOM 447 CB PRO A 29 16.352 10.429 -8.880 1.00 24.51 C ATOM 448 CG PRO A 29 16.915 9.056 -8.739 1.00 2.43 C ATOM 449 CD PRO A 29 17.454 8.689 -10.093 1.00 64.53 C ATOM 0 HA PRO A 29 16.725 11.833 -10.543 1.00 52.33 H new ATOM 0 HB2 PRO A 29 16.367 10.963 -7.930 1.00 24.51 H new ATOM 0 HB3 PRO A 29 15.315 10.399 -9.213 1.00 24.51 H new ATOM 0 HG2 PRO A 29 17.703 9.033 -7.986 1.00 2.43 H new ATOM 0 HG3 PRO A 29 16.148 8.350 -8.420 1.00 2.43 H new ATOM 0 HD2 PRO A 29 18.333 8.049 -10.015 1.00 64.53 H new ATOM 0 HD3 PRO A 29 16.717 8.147 -10.686 1.00 64.53 H new ATOM 457 N SER A 30 19.162 12.599 -10.018 1.00 3.24 N ATOM 458 CA SER A 30 20.255 13.402 -9.481 1.00 61.11 C ATOM 459 C SER A 30 19.724 14.500 -8.565 1.00 33.34 C ATOM 460 O SER A 30 18.578 14.936 -8.675 1.00 74.44 O ATOM 461 CB SER A 30 21.068 14.021 -10.620 1.00 12.33 C ATOM 462 OG SER A 30 20.462 13.767 -11.875 1.00 50.54 O ATOM 0 H SER A 30 19.086 12.616 -11.035 1.00 3.24 H new ATOM 0 HA SER A 30 20.901 12.747 -8.897 1.00 61.11 H new ATOM 0 HB2 SER A 30 21.156 15.096 -10.466 1.00 12.33 H new ATOM 0 HB3 SER A 30 22.079 13.614 -10.612 1.00 12.33 H new ATOM 0 HG SER A 30 20.632 12.838 -12.138 1.00 50.54 H new ATOM 468 N PRO A 31 20.576 14.958 -7.636 1.00 42.31 N ATOM 469 CA PRO A 31 20.216 16.011 -6.682 1.00 0.31 C ATOM 470 C PRO A 31 20.060 17.372 -7.352 1.00 1.11 C ATOM 471 O PRO A 31 20.440 17.570 -8.506 1.00 73.34 O ATOM 472 CB PRO A 31 21.397 16.027 -5.708 1.00 61.23 C ATOM 473 CG PRO A 31 22.543 15.490 -6.494 1.00 42.35 C ATOM 474 CD PRO A 31 21.958 14.485 -7.447 1.00 35.43 C ATOM 0 HA PRO A 31 19.255 15.817 -6.205 1.00 0.31 H new ATOM 0 HB2 PRO A 31 21.601 17.036 -5.350 1.00 61.23 H new ATOM 0 HB3 PRO A 31 21.195 15.412 -4.831 1.00 61.23 H new ATOM 0 HG2 PRO A 31 23.054 16.288 -7.033 1.00 42.35 H new ATOM 0 HG3 PRO A 31 23.280 15.024 -5.840 1.00 42.35 H new ATOM 0 HD2 PRO A 31 22.506 14.458 -8.389 1.00 35.43 H new ATOM 0 HD3 PRO A 31 21.985 13.477 -7.034 1.00 35.43 H new ATOM 482 N PRO A 32 19.489 18.335 -6.613 1.00 32.42 N ATOM 483 CA PRO A 32 19.271 19.694 -7.115 1.00 52.33 C ATOM 484 C PRO A 32 20.575 20.465 -7.287 1.00 63.25 C ATOM 485 O PRO A 32 20.628 21.462 -8.008 1.00 20.25 O ATOM 486 CB PRO A 32 18.408 20.340 -6.028 1.00 52.04 C ATOM 487 CG PRO A 32 18.728 19.579 -4.788 1.00 61.04 C ATOM 488 CD PRO A 32 19.012 18.170 -5.229 1.00 63.33 C ATOM 0 HA PRO A 32 18.809 19.694 -8.102 1.00 52.33 H new ATOM 0 HB2 PRO A 32 18.642 21.399 -5.914 1.00 52.04 H new ATOM 0 HB3 PRO A 32 17.348 20.272 -6.272 1.00 52.04 H new ATOM 0 HG2 PRO A 32 19.590 20.009 -4.277 1.00 61.04 H new ATOM 0 HG3 PRO A 32 17.894 19.608 -4.086 1.00 61.04 H new ATOM 0 HD2 PRO A 32 19.764 17.696 -4.599 1.00 63.33 H new ATOM 0 HD3 PRO A 32 18.119 17.547 -5.183 1.00 63.33 H new ATOM 496 N SER A 33 21.626 19.996 -6.622 1.00 43.23 N ATOM 497 CA SER A 33 22.931 20.644 -6.699 1.00 74.45 C ATOM 498 C SER A 33 23.534 20.485 -8.092 1.00 24.04 C ATOM 499 O SER A 33 24.265 21.354 -8.565 1.00 2.41 O ATOM 500 CB SER A 33 23.878 20.057 -5.651 1.00 14.23 C ATOM 501 OG SER A 33 25.188 20.574 -5.801 1.00 43.21 O ATOM 0 H SER A 33 21.600 19.170 -6.024 1.00 43.23 H new ATOM 0 HA SER A 33 22.794 21.707 -6.500 1.00 74.45 H new ATOM 0 HB2 SER A 33 23.506 20.285 -4.652 1.00 14.23 H new ATOM 0 HB3 SER A 33 23.899 18.971 -5.743 1.00 14.23 H new ATOM 0 HG SER A 33 25.774 20.184 -5.119 1.00 43.21 H new ATOM 507 N GLU A 34 23.223 19.368 -8.741 1.00 74.22 N ATOM 508 CA GLU A 34 23.735 19.094 -10.079 1.00 10.42 C ATOM 509 C GLU A 34 22.786 19.634 -11.146 1.00 23.44 C ATOM 510 O GLU A 34 23.203 19.956 -12.258 1.00 44.41 O ATOM 511 CB GLU A 34 23.937 17.590 -10.274 1.00 5.41 C ATOM 512 CG GLU A 34 24.544 17.227 -11.619 1.00 4.33 C ATOM 513 CD GLU A 34 25.295 15.910 -11.584 1.00 11.15 C ATOM 514 OE1 GLU A 34 24.635 14.855 -11.480 1.00 60.34 O ATOM 515 OE2 GLU A 34 26.541 15.934 -11.659 1.00 10.42 O ATOM 0 H GLU A 34 22.619 18.638 -8.363 1.00 74.22 H new ATOM 0 HA GLU A 34 24.696 19.598 -10.183 1.00 10.42 H new ATOM 0 HB2 GLU A 34 24.582 17.213 -9.480 1.00 5.41 H new ATOM 0 HB3 GLU A 34 22.976 17.086 -10.171 1.00 5.41 H new ATOM 0 HG2 GLU A 34 23.753 17.170 -12.367 1.00 4.33 H new ATOM 0 HG3 GLU A 34 25.223 18.020 -11.933 1.00 4.33 H new ATOM 522 N LYS A 35 21.507 19.728 -10.798 1.00 63.13 N ATOM 523 CA LYS A 35 20.498 20.228 -11.724 1.00 14.13 C ATOM 524 C LYS A 35 20.458 19.384 -12.994 1.00 12.33 C ATOM 525 O LYS A 35 19.549 18.576 -13.185 1.00 51.14 O ATOM 526 CB LYS A 35 20.781 21.690 -12.078 1.00 73.44 C ATOM 527 CG LYS A 35 19.950 22.681 -11.282 1.00 23.25 C ATOM 528 CD LYS A 35 20.669 24.010 -11.122 1.00 64.14 C ATOM 529 CE LYS A 35 19.862 25.155 -11.715 1.00 22.21 C ATOM 530 NZ LYS A 35 20.718 26.331 -12.032 1.00 3.45 N ATOM 0 H LYS A 35 21.145 19.464 -9.882 1.00 63.13 H new ATOM 0 HA LYS A 35 19.526 20.161 -11.234 1.00 14.13 H new ATOM 0 HB2 LYS A 35 21.838 21.898 -11.910 1.00 73.44 H new ATOM 0 HB3 LYS A 35 20.591 21.841 -13.141 1.00 73.44 H new ATOM 0 HG2 LYS A 35 18.995 22.841 -11.782 1.00 23.25 H new ATOM 0 HG3 LYS A 35 19.729 22.265 -10.299 1.00 23.25 H new ATOM 0 HD2 LYS A 35 20.851 24.201 -10.065 1.00 64.14 H new ATOM 0 HD3 LYS A 35 21.643 23.959 -11.609 1.00 64.14 H new ATOM 0 HE2 LYS A 35 19.362 24.815 -12.622 1.00 22.21 H new ATOM 0 HE3 LYS A 35 19.083 25.452 -11.013 1.00 22.21 H new ATOM 0 HZ1 LYS A 35 20.131 27.089 -12.434 1.00 3.45 H new ATOM 0 HZ2 LYS A 35 21.176 26.671 -11.163 1.00 3.45 H new ATOM 0 HZ3 LYS A 35 21.446 26.055 -12.721 1.00 3.45 H new TER 544 LYS A 35