USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 261 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -168:sc= 1.23 (180deg=1.16) USER MOD Single : A 7 ASN : amide:sc= -0.366 K(o=-0.37,f=-5.5!) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 HIS : +bothHN:sc= 0.114 K(o=0.11,f=-6.7!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 72:sc= 1.22 USER MOD Single : A 21 LYS NZ :NH3+ -148:sc= 0.146 (180deg=0.00122) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.543 USER MOD Single : A 34 THR OG1 : rot -140:sc= -0.854 USER MOD Single : A 37 LYS NZ :NH3+ 171:sc= 1.22 (180deg=1.22) USER MOD Single : A 38 GLN : amide:sc= -0.148 K(o=-0.15,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.552 2.027 -0.961 1.00 0.00 N ATOM 2 CA GLY A 1 -8.805 1.540 0.222 1.00 0.00 C ATOM 3 C GLY A 1 -8.161 2.678 0.966 1.00 0.00 C ATOM 4 O GLY A 1 -8.696 3.784 0.975 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.147 1.261 -1.335 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.153 2.830 -0.686 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.880 2.333 -1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.482 1.004 0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.041 0.830 -0.094 1.00 0.00 H new ATOM 10 N PHE A 2 -7.014 2.415 1.577 1.00 0.00 N ATOM 11 CA PHE A 2 -6.296 3.439 2.325 1.00 0.00 C ATOM 12 C PHE A 2 -5.756 4.506 1.381 1.00 0.00 C ATOM 13 O PHE A 2 -6.137 5.668 1.461 1.00 0.00 O ATOM 14 CB PHE A 2 -5.153 2.811 3.125 1.00 0.00 C ATOM 15 CG PHE A 2 -5.619 1.971 4.280 1.00 0.00 C ATOM 16 CD1 PHE A 2 -5.930 0.632 4.103 1.00 0.00 C ATOM 17 CD2 PHE A 2 -5.747 2.522 5.545 1.00 0.00 C ATOM 18 CE1 PHE A 2 -6.362 -0.140 5.165 1.00 0.00 C ATOM 19 CE2 PHE A 2 -6.178 1.755 6.610 1.00 0.00 C ATOM 20 CZ PHE A 2 -6.486 0.422 6.420 1.00 0.00 C ATOM 0 H PHE A 2 -6.560 1.501 1.570 1.00 0.00 H new ATOM 0 HA PHE A 2 -6.990 3.910 3.021 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -4.550 2.195 2.458 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -4.505 3.603 3.500 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -5.834 0.187 3.124 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -5.507 3.563 5.700 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -6.602 -1.182 5.013 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -6.274 2.197 7.591 1.00 0.00 H new ATOM 0 HZ PHE A 2 -6.823 -0.179 7.251 1.00 0.00 H new ATOM 30 N GLY A 3 -4.876 4.096 0.479 1.00 0.00 N ATOM 31 CA GLY A 3 -4.311 5.033 -0.468 1.00 0.00 C ATOM 32 C GLY A 3 -5.038 5.001 -1.794 1.00 0.00 C ATOM 33 O GLY A 3 -5.691 5.966 -2.179 1.00 0.00 O ATOM 0 H GLY A 3 -4.545 3.136 0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -4.356 6.040 -0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.258 4.800 -0.625 1.00 0.00 H new ATOM 37 N CYS A 4 -4.930 3.880 -2.489 1.00 0.00 N ATOM 38 CA CYS A 4 -5.576 3.704 -3.782 1.00 0.00 C ATOM 39 C CYS A 4 -7.098 3.642 -3.639 1.00 0.00 C ATOM 40 O CYS A 4 -7.624 3.101 -2.659 1.00 0.00 O ATOM 41 CB CYS A 4 -5.061 2.422 -4.435 1.00 0.00 C ATOM 42 SG CYS A 4 -3.799 1.556 -3.445 1.00 0.00 S ATOM 0 H CYS A 4 -4.395 3.070 -2.176 1.00 0.00 H new ATOM 0 HA CYS A 4 -5.334 4.562 -4.409 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -5.901 1.749 -4.607 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -4.642 2.664 -5.411 1.00 0.00 H new ATOM 47 N PRO A 5 -7.834 4.190 -4.621 1.00 0.00 N ATOM 48 CA PRO A 5 -7.266 4.842 -5.798 1.00 0.00 C ATOM 49 C PRO A 5 -7.106 6.348 -5.620 1.00 0.00 C ATOM 50 O PRO A 5 -6.743 7.055 -6.553 1.00 0.00 O ATOM 51 CB PRO A 5 -8.310 4.560 -6.885 1.00 0.00 C ATOM 52 CG PRO A 5 -9.543 4.065 -6.176 1.00 0.00 C ATOM 53 CD PRO A 5 -9.293 4.191 -4.696 1.00 0.00 C ATOM 0 HA PRO A 5 -6.265 4.471 -6.020 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.527 5.462 -7.457 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -7.943 3.815 -7.591 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.415 4.650 -6.469 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -9.750 3.029 -6.443 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -9.720 5.108 -4.289 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -9.729 3.362 -4.139 1.00 0.00 H new ATOM 61 N PHE A 6 -7.389 6.817 -4.414 1.00 0.00 N ATOM 62 CA PHE A 6 -7.303 8.236 -4.089 1.00 0.00 C ATOM 63 C PHE A 6 -5.883 8.770 -4.263 1.00 0.00 C ATOM 64 O PHE A 6 -5.632 9.606 -5.128 1.00 0.00 O ATOM 65 CB PHE A 6 -7.784 8.481 -2.655 1.00 0.00 C ATOM 66 CG PHE A 6 -7.837 9.935 -2.275 1.00 0.00 C ATOM 67 CD1 PHE A 6 -8.772 10.780 -2.848 1.00 0.00 C ATOM 68 CD2 PHE A 6 -6.950 10.454 -1.344 1.00 0.00 C ATOM 69 CE1 PHE A 6 -8.823 12.117 -2.503 1.00 0.00 C ATOM 70 CE2 PHE A 6 -6.996 11.790 -0.995 1.00 0.00 C ATOM 71 CZ PHE A 6 -7.933 12.623 -1.575 1.00 0.00 C ATOM 0 H PHE A 6 -7.684 6.229 -3.635 1.00 0.00 H new ATOM 0 HA PHE A 6 -7.949 8.773 -4.784 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -8.777 8.047 -2.535 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -7.122 7.958 -1.965 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -9.470 10.389 -3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.216 9.807 -0.887 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -9.557 12.765 -2.958 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -6.300 12.183 -0.269 1.00 0.00 H new ATOM 0 HZ PHE A 6 -7.970 13.668 -1.304 1.00 0.00 H new ATOM 81 N ASN A 7 -4.956 8.287 -3.448 1.00 0.00 N ATOM 82 CA ASN A 7 -3.580 8.750 -3.531 1.00 0.00 C ATOM 83 C ASN A 7 -2.581 7.598 -3.463 1.00 0.00 C ATOM 84 O ASN A 7 -2.321 7.021 -2.390 1.00 0.00 O ATOM 85 CB ASN A 7 -3.287 9.775 -2.433 1.00 0.00 C ATOM 86 CG ASN A 7 -1.945 10.457 -2.629 1.00 0.00 C ATOM 87 OD1 ASN A 7 -1.332 10.354 -3.691 1.00 0.00 O ATOM 88 ND2 ASN A 7 -1.480 11.159 -1.612 1.00 0.00 N ATOM 0 H ASN A 7 -5.129 7.583 -2.730 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.461 9.229 -4.503 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.076 10.527 -2.420 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.303 9.280 -1.462 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.584 11.639 -1.691 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -2.017 11.221 -0.747 1.00 0.00 H new ATOM 95 N GLU A 8 -2.022 7.268 -4.625 1.00 0.00 N ATOM 96 CA GLU A 8 -1.024 6.216 -4.727 1.00 0.00 C ATOM 97 C GLU A 8 0.170 6.594 -3.871 1.00 0.00 C ATOM 98 O GLU A 8 0.687 5.777 -3.121 1.00 0.00 O ATOM 99 CB GLU A 8 -0.592 6.024 -6.188 1.00 0.00 C ATOM 100 CG GLU A 8 0.152 4.719 -6.461 1.00 0.00 C ATOM 101 CD GLU A 8 1.630 4.772 -6.095 1.00 0.00 C ATOM 102 OE1 GLU A 8 2.208 5.876 -6.075 1.00 0.00 O ATOM 103 OE2 GLU A 8 2.219 3.705 -5.826 1.00 0.00 O ATOM 0 H GLU A 8 -2.248 7.719 -5.512 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.448 5.275 -4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.477 6.063 -6.824 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.046 6.859 -6.478 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.324 3.915 -5.900 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.057 4.470 -7.518 1.00 0.00 H new ATOM 110 N ASN A 9 0.557 7.863 -3.958 1.00 0.00 N ATOM 111 CA ASN A 9 1.685 8.389 -3.202 1.00 0.00 C ATOM 112 C ASN A 9 1.501 8.157 -1.710 1.00 0.00 C ATOM 113 O ASN A 9 2.463 7.890 -1.005 1.00 0.00 O ATOM 114 CB ASN A 9 1.858 9.885 -3.469 1.00 0.00 C ATOM 115 CG ASN A 9 2.288 10.182 -4.893 1.00 0.00 C ATOM 116 OD1 ASN A 9 1.456 10.366 -5.779 1.00 0.00 O ATOM 117 ND2 ASN A 9 3.590 10.241 -5.124 1.00 0.00 N ATOM 0 H ASN A 9 0.098 8.553 -4.553 1.00 0.00 H new ATOM 0 HA ASN A 9 2.579 7.858 -3.530 1.00 0.00 H new ATOM 0 HB2 ASN A 9 0.918 10.397 -3.264 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.598 10.289 -2.779 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.933 10.445 -6.063 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.251 10.083 -4.363 1.00 0.00 H new ATOM 124 N GLU A 10 0.267 8.263 -1.232 1.00 0.00 N ATOM 125 CA GLU A 10 -0.025 8.048 0.184 1.00 0.00 C ATOM 126 C GLU A 10 0.132 6.578 0.538 1.00 0.00 C ATOM 127 O GLU A 10 0.788 6.237 1.523 1.00 0.00 O ATOM 128 CB GLU A 10 -1.433 8.529 0.527 1.00 0.00 C ATOM 129 CG GLU A 10 -1.463 9.552 1.650 1.00 0.00 C ATOM 130 CD GLU A 10 -2.684 10.443 1.591 1.00 0.00 C ATOM 131 OE1 GLU A 10 -2.754 11.286 0.670 1.00 0.00 O ATOM 132 OE2 GLU A 10 -3.570 10.296 2.455 1.00 0.00 O ATOM 0 H GLU A 10 -0.547 8.496 -1.801 1.00 0.00 H new ATOM 0 HA GLU A 10 0.686 8.628 0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.888 8.964 -0.363 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.043 7.671 0.810 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.441 9.034 2.609 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.565 10.168 1.600 1.00 0.00 H new ATOM 139 N CYS A 11 -0.463 5.704 -0.267 1.00 0.00 N ATOM 140 CA CYS A 11 -0.337 4.267 -0.029 1.00 0.00 C ATOM 141 C CYS A 11 1.134 3.874 -0.147 1.00 0.00 C ATOM 142 O CYS A 11 1.672 3.110 0.669 1.00 0.00 O ATOM 143 CB CYS A 11 -1.194 3.487 -1.032 1.00 0.00 C ATOM 144 SG CYS A 11 -1.172 1.678 -0.811 1.00 0.00 S ATOM 0 H CYS A 11 -1.029 5.957 -1.077 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.693 4.025 0.972 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.224 3.836 -0.957 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.851 3.720 -2.040 1.00 0.00 H new ATOM 149 N HIS A 12 1.782 4.455 -1.147 1.00 0.00 N ATOM 150 CA HIS A 12 3.188 4.230 -1.412 1.00 0.00 C ATOM 151 C HIS A 12 4.025 4.726 -0.241 1.00 0.00 C ATOM 152 O HIS A 12 4.920 4.027 0.225 1.00 0.00 O ATOM 153 CB HIS A 12 3.591 4.964 -2.693 1.00 0.00 C ATOM 154 CG HIS A 12 4.692 4.303 -3.452 1.00 0.00 C ATOM 155 ND1 HIS A 12 4.591 3.959 -4.778 1.00 0.00 N ATOM 156 CD2 HIS A 12 5.932 3.943 -3.066 1.00 0.00 C ATOM 157 CE1 HIS A 12 5.724 3.418 -5.179 1.00 0.00 C ATOM 158 NE2 HIS A 12 6.559 3.395 -4.155 1.00 0.00 N ATOM 0 H HIS A 12 1.339 5.101 -1.800 1.00 0.00 H new ATOM 0 HA HIS A 12 3.363 3.162 -1.540 1.00 0.00 H new ATOM 0 HB2 HIS A 12 2.718 5.049 -3.340 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.898 5.978 -2.437 1.00 0.00 H new ATOM 0 HD1 HIS A 12 3.767 4.100 -5.362 1.00 0.00 H new ATOM 0 HD2 HIS A 12 6.354 4.064 -2.079 1.00 0.00 H new ATOM 0 HE1 HIS A 12 5.934 3.055 -6.174 1.00 0.00 H new ATOM 0 HE2 HIS A 12 7.511 3.030 -4.172 1.00 0.00 H new ATOM 167 N ALA A 13 3.723 5.940 0.224 1.00 0.00 N ATOM 168 CA ALA A 13 4.428 6.537 1.353 1.00 0.00 C ATOM 169 C ALA A 13 4.262 5.673 2.587 1.00 0.00 C ATOM 170 O ALA A 13 5.209 5.481 3.343 1.00 0.00 O ATOM 171 CB ALA A 13 3.929 7.948 1.629 1.00 0.00 C ATOM 0 H ALA A 13 2.989 6.530 -0.169 1.00 0.00 H new ATOM 0 HA ALA A 13 5.486 6.597 1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.473 8.367 2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.092 8.570 0.749 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.864 7.919 1.860 1.00 0.00 H new ATOM 177 N HIS A 14 3.046 5.166 2.793 1.00 0.00 N ATOM 178 CA HIS A 14 2.778 4.279 3.920 1.00 0.00 C ATOM 179 C HIS A 14 3.767 3.130 3.892 1.00 0.00 C ATOM 180 O HIS A 14 4.505 2.900 4.848 1.00 0.00 O ATOM 181 CB HIS A 14 1.353 3.720 3.862 1.00 0.00 C ATOM 182 CG HIS A 14 1.100 2.625 4.862 1.00 0.00 C ATOM 183 ND1 HIS A 14 1.117 2.828 6.226 1.00 0.00 N ATOM 184 CD2 HIS A 14 0.864 1.302 4.685 1.00 0.00 C ATOM 185 CE1 HIS A 14 0.907 1.677 6.842 1.00 0.00 C ATOM 186 NE2 HIS A 14 0.748 0.734 5.931 1.00 0.00 N ATOM 0 H HIS A 14 2.239 5.354 2.198 1.00 0.00 H new ATOM 0 HA HIS A 14 2.883 4.851 4.842 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.645 4.531 4.035 1.00 0.00 H new ATOM 0 HB3 HIS A 14 1.161 3.338 2.859 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.782 0.788 3.738 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.871 1.532 7.912 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.569 -0.252 6.121 1.00 0.00 H new ATOM 195 N CYS A 15 3.766 2.413 2.780 1.00 0.00 N ATOM 196 CA CYS A 15 4.679 1.286 2.602 1.00 0.00 C ATOM 197 C CYS A 15 6.134 1.741 2.725 1.00 0.00 C ATOM 198 O CYS A 15 6.976 1.050 3.302 1.00 0.00 O ATOM 199 CB CYS A 15 4.438 0.610 1.251 1.00 0.00 C ATOM 200 SG CYS A 15 3.152 -0.679 1.295 1.00 0.00 S ATOM 0 H CYS A 15 3.148 2.587 1.988 1.00 0.00 H new ATOM 0 HA CYS A 15 4.483 0.560 3.391 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.155 1.368 0.521 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.372 0.167 0.905 1.00 0.00 H new ATOM 205 N LEU A 16 6.403 2.931 2.217 1.00 0.00 N ATOM 206 CA LEU A 16 7.737 3.519 2.257 1.00 0.00 C ATOM 207 C LEU A 16 8.176 3.773 3.697 1.00 0.00 C ATOM 208 O LEU A 16 9.371 3.770 4.002 1.00 0.00 O ATOM 209 CB LEU A 16 7.746 4.839 1.478 1.00 0.00 C ATOM 210 CG LEU A 16 8.696 4.903 0.275 1.00 0.00 C ATOM 211 CD1 LEU A 16 8.620 3.629 -0.544 1.00 0.00 C ATOM 212 CD2 LEU A 16 8.364 6.105 -0.598 1.00 0.00 C ATOM 0 H LEU A 16 5.704 3.520 1.764 1.00 0.00 H new ATOM 0 HA LEU A 16 8.435 2.818 1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.733 5.038 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.008 5.642 2.166 1.00 0.00 H new ATOM 0 HG LEU A 16 9.713 5.009 0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.303 3.700 -1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.900 2.779 0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.602 3.491 -0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.046 6.137 -1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.339 6.021 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.469 7.019 -0.014 1.00 0.00 H new ATOM 224 N SER A 17 7.202 3.969 4.580 1.00 0.00 N ATOM 225 CA SER A 17 7.480 4.245 5.982 1.00 0.00 C ATOM 226 C SER A 17 7.883 2.981 6.736 1.00 0.00 C ATOM 227 O SER A 17 8.424 3.057 7.836 1.00 0.00 O ATOM 228 CB SER A 17 6.258 4.878 6.650 1.00 0.00 C ATOM 229 OG SER A 17 5.790 5.997 5.914 1.00 0.00 O ATOM 0 H SER A 17 6.210 3.941 4.346 1.00 0.00 H new ATOM 0 HA SER A 17 8.317 4.942 6.019 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.463 4.137 6.735 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.514 5.188 7.663 1.00 0.00 H new ATOM 0 HG SER A 17 5.367 5.690 5.085 1.00 0.00 H new ATOM 235 N ILE A 18 7.630 1.814 6.152 1.00 0.00 N ATOM 236 CA ILE A 18 7.981 0.571 6.819 1.00 0.00 C ATOM 237 C ILE A 18 9.172 -0.100 6.141 1.00 0.00 C ATOM 238 O ILE A 18 9.372 -1.309 6.254 1.00 0.00 O ATOM 239 CB ILE A 18 6.784 -0.406 6.923 1.00 0.00 C ATOM 240 CG1 ILE A 18 5.865 -0.291 5.705 1.00 0.00 C ATOM 241 CG2 ILE A 18 5.998 -0.139 8.201 1.00 0.00 C ATOM 242 CD1 ILE A 18 4.653 -1.199 5.766 1.00 0.00 C ATOM 0 H ILE A 18 7.192 1.705 5.237 1.00 0.00 H new ATOM 0 HA ILE A 18 8.266 0.834 7.838 1.00 0.00 H new ATOM 0 HB ILE A 18 7.180 -1.421 6.951 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.529 0.742 5.611 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.437 -0.524 4.807 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.159 -0.832 8.263 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.649 -0.279 9.064 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.623 0.885 8.191 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.050 -1.061 4.869 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.979 -2.237 5.828 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.057 -0.952 6.645 1.00 0.00 H new ATOM 254 N GLY A 19 9.951 0.697 5.416 1.00 0.00 N ATOM 255 CA GLY A 19 11.140 0.188 4.756 1.00 0.00 C ATOM 256 C GLY A 19 10.901 -0.250 3.326 1.00 0.00 C ATOM 257 O GLY A 19 11.774 -0.083 2.471 1.00 0.00 O ATOM 0 H GLY A 19 9.778 1.692 5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.910 0.960 4.767 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.528 -0.657 5.326 1.00 0.00 H new ATOM 261 N ARG A 20 9.719 -0.790 3.067 1.00 0.00 N ATOM 262 CA ARG A 20 9.362 -1.276 1.735 1.00 0.00 C ATOM 263 C ARG A 20 9.436 -0.145 0.714 1.00 0.00 C ATOM 264 O ARG A 20 9.112 0.996 1.022 1.00 0.00 O ATOM 265 CB ARG A 20 7.958 -1.891 1.747 1.00 0.00 C ATOM 266 CG ARG A 20 7.847 -3.174 2.567 1.00 0.00 C ATOM 267 CD ARG A 20 7.674 -2.887 4.052 1.00 0.00 C ATOM 268 NE ARG A 20 6.977 -3.965 4.750 1.00 0.00 N ATOM 269 CZ ARG A 20 7.179 -4.292 6.026 1.00 0.00 C ATOM 270 NH1 ARG A 20 8.053 -3.617 6.766 1.00 0.00 N ATOM 271 NH2 ARG A 20 6.491 -5.288 6.568 1.00 0.00 N ATOM 0 H ARG A 20 8.984 -0.905 3.765 1.00 0.00 H new ATOM 0 HA ARG A 20 10.077 -2.047 1.449 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.255 -1.158 2.142 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.656 -2.101 0.721 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.001 -3.761 2.210 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.741 -3.779 2.416 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.653 -2.737 4.507 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.118 -1.958 4.177 1.00 0.00 H new ATOM 0 HE ARG A 20 6.289 -4.504 4.225 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.575 -2.842 6.358 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.201 -3.874 7.742 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.810 -5.801 6.008 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.643 -5.541 7.544 1.00 0.00 H new ATOM 285 N LYS A 21 9.877 -0.462 -0.499 1.00 0.00 N ATOM 286 CA LYS A 21 10.011 0.550 -1.544 1.00 0.00 C ATOM 287 C LYS A 21 8.764 0.637 -2.414 1.00 0.00 C ATOM 288 O LYS A 21 8.527 1.645 -3.081 1.00 0.00 O ATOM 289 CB LYS A 21 11.247 0.273 -2.406 1.00 0.00 C ATOM 290 CG LYS A 21 12.554 0.313 -1.624 1.00 0.00 C ATOM 291 CD LYS A 21 12.656 1.572 -0.773 1.00 0.00 C ATOM 292 CE LYS A 21 13.661 1.407 0.355 1.00 0.00 C ATOM 293 NZ LYS A 21 13.377 2.329 1.488 1.00 0.00 N ATOM 0 H LYS A 21 10.146 -1.404 -0.783 1.00 0.00 H new ATOM 0 HA LYS A 21 10.134 1.514 -1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.142 -0.706 -2.874 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.291 1.007 -3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.624 -0.567 -0.984 1.00 0.00 H new ATOM 0 HG3 LYS A 21 13.395 0.271 -2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.949 2.413 -1.401 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.677 1.810 -0.357 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.642 0.377 0.711 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.666 1.595 -0.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.270 2.602 1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.897 3.180 1.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.765 1.851 2.180 1.00 0.00 H new ATOM 307 N PHE A 22 7.969 -0.417 -2.407 1.00 0.00 N ATOM 308 CA PHE A 22 6.743 -0.441 -3.190 1.00 0.00 C ATOM 309 C PHE A 22 5.619 -1.064 -2.386 1.00 0.00 C ATOM 310 O PHE A 22 5.859 -1.809 -1.430 1.00 0.00 O ATOM 311 CB PHE A 22 6.904 -1.218 -4.502 1.00 0.00 C ATOM 312 CG PHE A 22 8.230 -1.023 -5.188 1.00 0.00 C ATOM 313 CD1 PHE A 22 8.452 0.088 -5.986 1.00 0.00 C ATOM 314 CD2 PHE A 22 9.250 -1.950 -5.036 1.00 0.00 C ATOM 315 CE1 PHE A 22 9.667 0.272 -6.618 1.00 0.00 C ATOM 316 CE2 PHE A 22 10.466 -1.771 -5.666 1.00 0.00 C ATOM 317 CZ PHE A 22 10.675 -0.659 -6.458 1.00 0.00 C ATOM 0 H PHE A 22 8.147 -1.266 -1.870 1.00 0.00 H new ATOM 0 HA PHE A 22 6.506 0.594 -3.435 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.768 -2.280 -4.299 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.109 -0.920 -5.185 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.667 0.818 -6.115 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.092 -2.822 -4.418 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.828 1.143 -7.236 1.00 0.00 H new ATOM 0 HE2 PHE A 22 11.253 -2.500 -5.539 1.00 0.00 H new ATOM 0 HZ PHE A 22 11.625 -0.517 -6.952 1.00 0.00 H new ATOM 327 N GLY A 23 4.404 -0.763 -2.792 1.00 0.00 N ATOM 328 CA GLY A 23 3.235 -1.283 -2.121 1.00 0.00 C ATOM 329 C GLY A 23 1.968 -0.614 -2.601 1.00 0.00 C ATOM 330 O GLY A 23 1.981 0.570 -2.931 1.00 0.00 O ATOM 0 H GLY A 23 4.201 -0.158 -3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.166 -2.357 -2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.338 -1.137 -1.046 1.00 0.00 H new ATOM 334 N PHE A 24 0.883 -1.372 -2.646 1.00 0.00 N ATOM 335 CA PHE A 24 -0.401 -0.854 -3.095 1.00 0.00 C ATOM 336 C PHE A 24 -1.537 -1.643 -2.460 1.00 0.00 C ATOM 337 O PHE A 24 -1.317 -2.702 -1.878 1.00 0.00 O ATOM 338 CB PHE A 24 -0.513 -0.912 -4.624 1.00 0.00 C ATOM 339 CG PHE A 24 -0.223 -2.269 -5.208 1.00 0.00 C ATOM 340 CD1 PHE A 24 -1.237 -3.202 -5.375 1.00 0.00 C ATOM 341 CD2 PHE A 24 1.065 -2.611 -5.592 1.00 0.00 C ATOM 342 CE1 PHE A 24 -0.971 -4.447 -5.912 1.00 0.00 C ATOM 343 CE2 PHE A 24 1.336 -3.854 -6.129 1.00 0.00 C ATOM 344 CZ PHE A 24 0.318 -4.773 -6.289 1.00 0.00 C ATOM 0 H PHE A 24 0.866 -2.355 -2.375 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.473 0.189 -2.785 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.519 -0.609 -4.916 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.176 -0.187 -5.056 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.246 -2.952 -5.082 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.866 -1.897 -5.470 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.769 -5.164 -6.037 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.344 -4.107 -6.424 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.529 -5.746 -6.708 1.00 0.00 H new ATOM 354 N CYS A 25 -2.746 -1.127 -2.579 1.00 0.00 N ATOM 355 CA CYS A 25 -3.924 -1.770 -2.013 1.00 0.00 C ATOM 356 C CYS A 25 -4.207 -3.106 -2.687 1.00 0.00 C ATOM 357 O CYS A 25 -4.362 -3.177 -3.906 1.00 0.00 O ATOM 358 CB CYS A 25 -5.140 -0.857 -2.162 1.00 0.00 C ATOM 359 SG CYS A 25 -4.808 0.899 -1.804 1.00 0.00 S ATOM 0 H CYS A 25 -2.942 -0.254 -3.068 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.727 -1.954 -0.957 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.521 -0.942 -3.180 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -5.928 -1.209 -1.496 1.00 0.00 H new ATOM 364 N ALA A 26 -4.275 -4.157 -1.888 1.00 0.00 N ATOM 365 CA ALA A 26 -4.553 -5.486 -2.396 1.00 0.00 C ATOM 366 C ALA A 26 -5.784 -6.066 -1.713 1.00 0.00 C ATOM 367 O ALA A 26 -6.200 -5.591 -0.654 1.00 0.00 O ATOM 368 CB ALA A 26 -3.351 -6.396 -2.201 1.00 0.00 C ATOM 0 H ALA A 26 -4.140 -4.113 -0.878 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.754 -5.414 -3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.580 -7.389 -2.589 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.494 -5.986 -2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.116 -6.466 -1.139 1.00 0.00 H new ATOM 374 N GLY A 27 -6.364 -7.088 -2.329 1.00 0.00 N ATOM 375 CA GLY A 27 -7.550 -7.720 -1.779 1.00 0.00 C ATOM 376 C GLY A 27 -8.782 -6.852 -1.946 1.00 0.00 C ATOM 377 O GLY A 27 -9.035 -5.976 -1.127 1.00 0.00 O ATOM 0 H GLY A 27 -6.033 -7.493 -3.205 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.712 -8.679 -2.271 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.393 -7.928 -0.721 1.00 0.00 H new ATOM 381 N PRO A 28 -9.594 -7.096 -2.989 1.00 0.00 N ATOM 382 CA PRO A 28 -10.805 -6.302 -3.275 1.00 0.00 C ATOM 383 C PRO A 28 -11.842 -6.324 -2.149 1.00 0.00 C ATOM 384 O PRO A 28 -12.805 -5.564 -2.172 1.00 0.00 O ATOM 385 CB PRO A 28 -11.381 -6.959 -4.535 1.00 0.00 C ATOM 386 CG PRO A 28 -10.772 -8.318 -4.577 1.00 0.00 C ATOM 387 CD PRO A 28 -9.404 -8.168 -3.980 1.00 0.00 C ATOM 0 HA PRO A 28 -10.555 -5.247 -3.391 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.469 -7.016 -4.488 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.130 -6.387 -5.428 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.370 -9.033 -4.011 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.714 -8.690 -5.600 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.063 -9.093 -3.515 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.663 -7.897 -4.732 1.00 0.00 H new ATOM 395 N LEU A 29 -11.642 -7.191 -1.166 1.00 0.00 N ATOM 396 CA LEU A 29 -12.572 -7.297 -0.049 1.00 0.00 C ATOM 397 C LEU A 29 -12.157 -6.392 1.110 1.00 0.00 C ATOM 398 O LEU A 29 -12.901 -6.234 2.081 1.00 0.00 O ATOM 399 CB LEU A 29 -12.664 -8.747 0.431 1.00 0.00 C ATOM 400 CG LEU A 29 -13.228 -9.737 -0.592 1.00 0.00 C ATOM 401 CD1 LEU A 29 -13.161 -11.156 -0.052 1.00 0.00 C ATOM 402 CD2 LEU A 29 -14.662 -9.372 -0.952 1.00 0.00 C ATOM 0 H LEU A 29 -10.848 -7.829 -1.119 1.00 0.00 H new ATOM 0 HA LEU A 29 -13.551 -6.971 -0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.668 -9.080 0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.287 -8.778 1.325 1.00 0.00 H new ATOM 0 HG LEU A 29 -12.621 -9.682 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -13.566 -11.846 -0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -12.124 -11.417 0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -13.745 -11.224 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -15.047 -10.086 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -15.281 -9.399 -0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.686 -8.369 -1.379 1.00 0.00 H new ATOM 414 N ARG A 30 -10.972 -5.797 1.013 1.00 0.00 N ATOM 415 CA ARG A 30 -10.476 -4.921 2.071 1.00 0.00 C ATOM 416 C ARG A 30 -9.820 -3.665 1.509 1.00 0.00 C ATOM 417 O ARG A 30 -9.957 -2.581 2.078 1.00 0.00 O ATOM 418 CB ARG A 30 -9.486 -5.669 2.972 1.00 0.00 C ATOM 419 CG ARG A 30 -10.147 -6.456 4.097 1.00 0.00 C ATOM 420 CD ARG A 30 -10.930 -5.551 5.044 1.00 0.00 C ATOM 421 NE ARG A 30 -12.184 -5.084 4.447 1.00 0.00 N ATOM 422 CZ ARG A 30 -12.846 -3.997 4.838 1.00 0.00 C ATOM 423 NH1 ARG A 30 -12.408 -3.276 5.866 1.00 0.00 N ATOM 424 NH2 ARG A 30 -13.953 -3.634 4.196 1.00 0.00 N ATOM 0 H ARG A 30 -10.341 -5.904 0.219 1.00 0.00 H new ATOM 0 HA ARG A 30 -11.338 -4.612 2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.898 -6.353 2.360 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.790 -4.951 3.405 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.818 -7.203 3.672 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.384 -6.996 4.659 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.147 -6.092 5.965 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.316 -4.692 5.315 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.577 -5.629 3.679 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.560 -3.555 6.360 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.920 -2.444 6.160 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.291 -4.187 3.409 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.464 -2.802 4.491 1.00 0.00 H new ATOM 438 N ALA A 31 -9.110 -3.827 0.395 1.00 0.00 N ATOM 439 CA ALA A 31 -8.412 -2.727 -0.265 1.00 0.00 C ATOM 440 C ALA A 31 -7.319 -2.162 0.637 1.00 0.00 C ATOM 441 O ALA A 31 -6.994 -0.972 0.587 1.00 0.00 O ATOM 442 CB ALA A 31 -9.390 -1.644 -0.698 1.00 0.00 C ATOM 0 H ALA A 31 -9.002 -4.725 -0.076 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.933 -3.116 -1.164 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.845 -0.836 -1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.115 -2.066 -1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.911 -1.253 0.176 1.00 0.00 H new ATOM 448 N THR A 32 -6.760 -3.036 1.462 1.00 0.00 N ATOM 449 CA THR A 32 -5.698 -2.671 2.380 1.00 0.00 C ATOM 450 C THR A 32 -4.367 -2.614 1.640 1.00 0.00 C ATOM 451 O THR A 32 -4.070 -3.487 0.821 1.00 0.00 O ATOM 452 CB THR A 32 -5.605 -3.693 3.533 1.00 0.00 C ATOM 453 OG1 THR A 32 -6.889 -3.847 4.152 1.00 0.00 O ATOM 454 CG2 THR A 32 -4.583 -3.257 4.575 1.00 0.00 C ATOM 0 H THR A 32 -7.032 -4.018 1.511 1.00 0.00 H new ATOM 0 HA THR A 32 -5.924 -1.689 2.796 1.00 0.00 H new ATOM 0 HB THR A 32 -5.282 -4.646 3.115 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.824 -4.498 4.882 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.540 -3.997 5.374 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.602 -3.170 4.108 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.875 -2.292 4.989 1.00 0.00 H new ATOM 462 N CYS A 33 -3.576 -1.583 1.902 1.00 0.00 N ATOM 463 CA CYS A 33 -2.288 -1.453 1.242 1.00 0.00 C ATOM 464 C CYS A 33 -1.357 -2.576 1.647 1.00 0.00 C ATOM 465 O CYS A 33 -1.091 -2.797 2.829 1.00 0.00 O ATOM 466 CB CYS A 33 -1.614 -0.121 1.555 1.00 0.00 C ATOM 467 SG CYS A 33 -2.390 1.330 0.778 1.00 0.00 S ATOM 0 H CYS A 33 -3.800 -0.835 2.558 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.485 -1.502 0.171 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.609 0.022 2.636 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.573 -0.173 1.236 1.00 0.00 H new ATOM 472 N THR A 34 -0.886 -3.275 0.647 1.00 0.00 N ATOM 473 CA THR A 34 0.036 -4.375 0.823 1.00 0.00 C ATOM 474 C THR A 34 1.333 -4.046 0.101 1.00 0.00 C ATOM 475 O THR A 34 1.332 -3.734 -1.093 1.00 0.00 O ATOM 476 CB THR A 34 -0.548 -5.685 0.271 1.00 0.00 C ATOM 477 OG1 THR A 34 -1.925 -5.798 0.657 1.00 0.00 O ATOM 478 CG2 THR A 34 0.231 -6.889 0.783 1.00 0.00 C ATOM 0 H THR A 34 -1.133 -3.097 -0.326 1.00 0.00 H new ATOM 0 HA THR A 34 0.219 -4.514 1.888 1.00 0.00 H new ATOM 0 HB THR A 34 -0.471 -5.666 -0.816 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.121 -6.726 0.903 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.203 -7.803 0.377 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.271 -6.810 0.467 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.183 -6.917 1.872 1.00 0.00 H new ATOM 486 N CYS A 35 2.427 -4.093 0.825 1.00 0.00 N ATOM 487 CA CYS A 35 3.719 -3.768 0.256 1.00 0.00 C ATOM 488 C CYS A 35 4.298 -4.943 -0.526 1.00 0.00 C ATOM 489 O CYS A 35 3.799 -6.067 -0.432 1.00 0.00 O ATOM 490 CB CYS A 35 4.668 -3.322 1.361 1.00 0.00 C ATOM 491 SG CYS A 35 3.943 -2.103 2.508 1.00 0.00 S ATOM 0 H CYS A 35 2.451 -4.353 1.811 1.00 0.00 H new ATOM 0 HA CYS A 35 3.590 -2.949 -0.451 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.986 -4.196 1.929 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.562 -2.894 0.908 1.00 0.00 H new ATOM 496 N GLY A 36 5.348 -4.670 -1.301 1.00 0.00 N ATOM 497 CA GLY A 36 5.989 -5.695 -2.115 1.00 0.00 C ATOM 498 C GLY A 36 6.329 -6.959 -1.343 1.00 0.00 C ATOM 499 O GLY A 36 6.219 -8.069 -1.868 1.00 0.00 O ATOM 0 H GLY A 36 5.771 -3.745 -1.380 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.331 -5.952 -2.945 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.902 -5.286 -2.547 1.00 0.00 H new ATOM 503 N LYS A 37 6.759 -6.794 -0.106 1.00 0.00 N ATOM 504 CA LYS A 37 7.109 -7.923 0.738 1.00 0.00 C ATOM 505 C LYS A 37 6.335 -7.865 2.045 1.00 0.00 C ATOM 506 O LYS A 37 6.895 -8.096 3.114 1.00 0.00 O ATOM 507 CB LYS A 37 8.615 -7.944 1.003 1.00 0.00 C ATOM 508 CG LYS A 37 9.415 -8.574 -0.126 1.00 0.00 C ATOM 509 CD LYS A 37 9.162 -10.072 -0.215 1.00 0.00 C ATOM 510 CE LYS A 37 8.956 -10.523 -1.652 1.00 0.00 C ATOM 511 NZ LYS A 37 7.529 -10.419 -2.073 1.00 0.00 N ATOM 0 H LYS A 37 6.875 -5.884 0.339 1.00 0.00 H new ATOM 0 HA LYS A 37 6.840 -8.843 0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.964 -6.923 1.161 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.807 -8.492 1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.148 -8.101 -1.071 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.478 -8.391 0.033 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.005 -10.610 0.218 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.283 -10.328 0.376 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.574 -9.917 -2.314 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.291 -11.555 -1.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.456 -10.589 -3.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.964 -11.128 -1.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.171 -9.468 -1.853 1.00 0.00 H new ATOM 525 N GLN A 38 5.045 -7.551 1.931 1.00 0.00 N ATOM 526 CA GLN A 38 4.157 -7.443 3.085 1.00 0.00 C ATOM 527 C GLN A 38 4.662 -6.353 4.027 1.00 0.00 C ATOM 528 O GLN A 38 5.120 -5.309 3.518 1.00 0.00 O ATOM 529 CB GLN A 38 4.044 -8.788 3.818 1.00 0.00 C ATOM 530 CG GLN A 38 2.740 -8.964 4.581 1.00 0.00 C ATOM 531 CD GLN A 38 1.535 -9.087 3.667 1.00 0.00 C ATOM 532 OE1 GLN A 38 1.623 -9.627 2.567 1.00 0.00 O ATOM 533 NE2 GLN A 38 0.397 -8.585 4.120 1.00 0.00 N ATOM 534 OXT GLN A 38 4.608 -6.541 5.259 1.00 0.00 O ATOM 0 H GLN A 38 4.588 -7.365 1.038 1.00 0.00 H new ATOM 0 HA GLN A 38 3.161 -7.172 2.735 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.141 -9.596 3.093 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.877 -8.883 4.514 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.808 -9.854 5.207 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.598 -8.115 5.249 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.364 -8.144 5.039 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.447 -8.639 3.550 1.00 0.00 H new TER 543 GLN A 38