USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=6 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+ -108:sc= 0.118 (180deg=-0.0241) USER MOD Single : A 7 ASN : amide:sc= -0.558! C(o=-0.56!,f=-4.5!) USER MOD Single : A 9 ASN : amide:sc= -0.111 K(o=-0.11,f=-0.94) USER MOD Single : A 12 HIS : no HE2:sc= -0.0682 K(o=-0.068,f=-5.8!) 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= 1.26 USER MOD Single : A 21 LYS NZ :NH3+ 160:sc= 1.71 (180deg=1.12) USER MOD Single : A 32 THR OG1 : rot 76:sc= 1.03 USER MOD Single : A 34 THR OG1 : rot -160:sc= -0.422 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.793 2.933 2.158 1.00 0.00 N ATOM 2 CA GLY A 1 -9.449 2.380 1.867 1.00 0.00 C ATOM 3 C GLY A 1 -8.365 3.213 2.503 1.00 0.00 C ATOM 4 O GLY A 1 -8.646 4.297 3.007 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.283 2.315 2.836 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.696 3.885 2.565 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.344 2.988 1.278 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.387 1.356 2.235 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.295 2.341 0.789 1.00 0.00 H new ATOM 10 N PHE A 2 -7.140 2.708 2.494 1.00 0.00 N ATOM 11 CA PHE A 2 -6.022 3.429 3.085 1.00 0.00 C ATOM 12 C PHE A 2 -5.415 4.411 2.089 1.00 0.00 C ATOM 13 O PHE A 2 -5.481 5.621 2.280 1.00 0.00 O ATOM 14 CB PHE A 2 -4.953 2.450 3.580 1.00 0.00 C ATOM 15 CG PHE A 2 -3.982 3.068 4.546 1.00 0.00 C ATOM 16 CD1 PHE A 2 -4.243 3.064 5.908 1.00 0.00 C ATOM 17 CD2 PHE A 2 -2.812 3.656 4.093 1.00 0.00 C ATOM 18 CE1 PHE A 2 -3.354 3.634 6.799 1.00 0.00 C ATOM 19 CE2 PHE A 2 -1.921 4.228 4.979 1.00 0.00 C ATOM 20 CZ PHE A 2 -2.191 4.218 6.334 1.00 0.00 C ATOM 0 H PHE A 2 -6.895 1.806 2.086 1.00 0.00 H new ATOM 0 HA PHE A 2 -6.401 3.996 3.936 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -5.441 1.602 4.059 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -4.404 2.059 2.723 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -5.151 2.610 6.276 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -2.595 3.667 3.035 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -3.568 3.623 7.858 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -1.013 4.683 4.613 1.00 0.00 H new ATOM 0 HZ PHE A 2 -1.495 4.665 7.028 1.00 0.00 H new ATOM 30 N GLY A 3 -4.833 3.883 1.021 1.00 0.00 N ATOM 31 CA GLY A 3 -4.218 4.733 0.022 1.00 0.00 C ATOM 32 C GLY A 3 -5.033 4.819 -1.251 1.00 0.00 C ATOM 33 O GLY A 3 -5.871 5.705 -1.401 1.00 0.00 O ATOM 0 H GLY A 3 -4.776 2.883 0.829 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -4.086 5.734 0.433 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.224 4.352 -0.212 1.00 0.00 H new ATOM 37 N CYS A 4 -4.784 3.904 -2.177 1.00 0.00 N ATOM 38 CA CYS A 4 -5.507 3.881 -3.440 1.00 0.00 C ATOM 39 C CYS A 4 -6.938 3.392 -3.213 1.00 0.00 C ATOM 40 O CYS A 4 -7.221 2.758 -2.197 1.00 0.00 O ATOM 41 CB CYS A 4 -4.775 2.981 -4.437 1.00 0.00 C ATOM 42 SG CYS A 4 -3.909 1.581 -3.660 1.00 0.00 S ATOM 0 H CYS A 4 -4.086 3.167 -2.077 1.00 0.00 H new ATOM 0 HA CYS A 4 -5.552 4.889 -3.852 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -5.493 2.596 -5.161 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -4.053 3.580 -4.992 1.00 0.00 H new ATOM 47 N PRO A 5 -7.870 3.691 -4.134 1.00 0.00 N ATOM 48 CA PRO A 5 -7.592 4.458 -5.354 1.00 0.00 C ATOM 49 C PRO A 5 -7.535 5.963 -5.111 1.00 0.00 C ATOM 50 O PRO A 5 -7.332 6.738 -6.041 1.00 0.00 O ATOM 51 CB PRO A 5 -8.778 4.120 -6.246 1.00 0.00 C ATOM 52 CG PRO A 5 -9.901 3.847 -5.306 1.00 0.00 C ATOM 53 CD PRO A 5 -9.285 3.280 -4.054 1.00 0.00 C ATOM 0 HA PRO A 5 -6.619 4.205 -5.776 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.016 4.946 -6.916 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -8.567 3.253 -6.872 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.454 4.761 -5.087 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -10.609 3.143 -5.743 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -9.765 3.675 -3.159 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -9.384 2.195 -4.017 1.00 0.00 H new ATOM 61 N PHE A 6 -7.716 6.355 -3.859 1.00 0.00 N ATOM 62 CA PHE A 6 -7.692 7.763 -3.478 1.00 0.00 C ATOM 63 C PHE A 6 -6.327 8.379 -3.774 1.00 0.00 C ATOM 64 O PHE A 6 -6.197 9.214 -4.667 1.00 0.00 O ATOM 65 CB PHE A 6 -8.034 7.921 -1.993 1.00 0.00 C ATOM 66 CG PHE A 6 -9.295 7.209 -1.588 1.00 0.00 C ATOM 67 CD1 PHE A 6 -10.537 7.748 -1.887 1.00 0.00 C ATOM 68 CD2 PHE A 6 -9.237 6.001 -0.913 1.00 0.00 C ATOM 69 CE1 PHE A 6 -11.697 7.094 -1.519 1.00 0.00 C ATOM 70 CE2 PHE A 6 -10.394 5.342 -0.543 1.00 0.00 C ATOM 71 CZ PHE A 6 -11.625 5.889 -0.846 1.00 0.00 C ATOM 0 H PHE A 6 -7.882 5.714 -3.083 1.00 0.00 H new ATOM 0 HA PHE A 6 -8.443 8.289 -4.068 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -7.205 7.543 -1.395 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -8.135 8.982 -1.763 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -10.598 8.689 -2.413 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.277 5.569 -0.673 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -12.659 7.524 -1.757 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -10.335 4.400 -0.017 1.00 0.00 H new ATOM 0 HZ PHE A 6 -12.530 5.376 -0.557 1.00 0.00 H new ATOM 81 N ASN A 7 -5.308 7.965 -3.030 1.00 0.00 N ATOM 82 CA ASN A 7 -3.966 8.487 -3.251 1.00 0.00 C ATOM 83 C ASN A 7 -2.921 7.379 -3.227 1.00 0.00 C ATOM 84 O ASN A 7 -2.620 6.783 -2.174 1.00 0.00 O ATOM 85 CB ASN A 7 -3.604 9.576 -2.235 1.00 0.00 C ATOM 86 CG ASN A 7 -2.331 10.312 -2.626 1.00 0.00 C ATOM 87 OD1 ASN A 7 -1.858 10.199 -3.759 1.00 0.00 O ATOM 88 ND2 ASN A 7 -1.768 11.071 -1.702 1.00 0.00 N ATOM 0 H ASN A 7 -5.383 7.279 -2.279 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.967 8.936 -4.244 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.426 10.288 -2.156 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.476 9.127 -1.250 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.914 11.587 -1.916 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -2.187 11.141 -0.775 1.00 0.00 H new ATOM 95 N GLU A 8 -2.369 7.106 -4.405 1.00 0.00 N ATOM 96 CA GLU A 8 -1.338 6.095 -4.551 1.00 0.00 C ATOM 97 C GLU A 8 -0.147 6.478 -3.695 1.00 0.00 C ATOM 98 O GLU A 8 0.447 5.632 -3.045 1.00 0.00 O ATOM 99 CB GLU A 8 -0.922 5.958 -6.022 1.00 0.00 C ATOM 100 CG GLU A 8 -0.279 4.617 -6.369 1.00 0.00 C ATOM 101 CD GLU A 8 1.206 4.560 -6.045 1.00 0.00 C ATOM 102 OE1 GLU A 8 1.841 5.627 -5.943 1.00 0.00 O ATOM 103 OE2 GLU A 8 1.744 3.443 -5.891 1.00 0.00 O ATOM 0 H GLU A 8 -2.623 7.576 -5.274 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.726 5.131 -4.222 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.801 6.100 -6.651 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.222 6.757 -6.266 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.793 3.824 -5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.420 4.418 -7.431 1.00 0.00 H new ATOM 110 N ASN A 9 0.153 7.775 -3.664 1.00 0.00 N ATOM 111 CA ASN A 9 1.267 8.291 -2.877 1.00 0.00 C ATOM 112 C ASN A 9 1.093 7.949 -1.404 1.00 0.00 C ATOM 113 O ASN A 9 2.058 7.619 -0.734 1.00 0.00 O ATOM 114 CB ASN A 9 1.398 9.806 -3.049 1.00 0.00 C ATOM 115 CG ASN A 9 2.315 10.190 -4.195 1.00 0.00 C ATOM 116 OD1 ASN A 9 3.344 9.559 -4.421 1.00 0.00 O ATOM 117 ND2 ASN A 9 1.945 11.231 -4.929 1.00 0.00 N ATOM 0 H ASN A 9 -0.363 8.489 -4.178 1.00 0.00 H new ATOM 0 HA ASN A 9 2.179 7.818 -3.240 1.00 0.00 H new ATOM 0 HB2 ASN A 9 0.411 10.234 -3.221 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.778 10.241 -2.124 1.00 0.00 H new ATOM 0 HD21 ASN A 9 2.523 11.533 -5.713 1.00 0.00 H new ATOM 0 HD22 ASN A 9 1.083 11.729 -4.709 1.00 0.00 H new ATOM 124 N GLU A 10 -0.140 8.010 -0.909 1.00 0.00 N ATOM 125 CA GLU A 10 -0.412 7.687 0.491 1.00 0.00 C ATOM 126 C GLU A 10 -0.149 6.213 0.735 1.00 0.00 C ATOM 127 O GLU A 10 0.510 5.834 1.707 1.00 0.00 O ATOM 128 CB GLU A 10 -1.858 8.022 0.865 1.00 0.00 C ATOM 129 CG GLU A 10 -1.981 9.147 1.878 1.00 0.00 C ATOM 130 CD GLU A 10 -1.644 10.494 1.280 1.00 0.00 C ATOM 131 OE1 GLU A 10 -0.450 10.852 1.251 1.00 0.00 O ATOM 132 OE2 GLU A 10 -2.573 11.183 0.809 1.00 0.00 O ATOM 0 H GLU A 10 -0.962 8.278 -1.450 1.00 0.00 H new ATOM 0 HA GLU A 10 0.249 8.288 1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.403 8.297 -0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.336 7.129 1.267 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.997 9.170 2.271 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.318 8.949 2.720 1.00 0.00 H new ATOM 139 N CYS A 11 -0.663 5.379 -0.158 1.00 0.00 N ATOM 140 CA CYS A 11 -0.462 3.937 -0.048 1.00 0.00 C ATOM 141 C CYS A 11 1.023 3.610 -0.199 1.00 0.00 C ATOM 142 O CYS A 11 1.603 2.850 0.592 1.00 0.00 O ATOM 143 CB CYS A 11 -1.284 3.219 -1.121 1.00 0.00 C ATOM 144 SG CYS A 11 -1.402 1.416 -0.914 1.00 0.00 S ATOM 0 H CYS A 11 -1.219 5.671 -0.962 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.795 3.596 0.932 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.291 3.636 -1.127 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.846 3.430 -2.096 1.00 0.00 H new ATOM 149 N HIS A 12 1.631 4.234 -1.197 1.00 0.00 N ATOM 150 CA HIS A 12 3.037 4.057 -1.504 1.00 0.00 C ATOM 151 C HIS A 12 3.905 4.514 -0.337 1.00 0.00 C ATOM 152 O HIS A 12 4.797 3.787 0.099 1.00 0.00 O ATOM 153 CB HIS A 12 3.386 4.855 -2.761 1.00 0.00 C ATOM 154 CG HIS A 12 4.409 4.200 -3.627 1.00 0.00 C ATOM 155 ND1 HIS A 12 4.148 3.763 -4.904 1.00 0.00 N ATOM 156 CD2 HIS A 12 5.706 3.918 -3.392 1.00 0.00 C ATOM 157 CE1 HIS A 12 5.242 3.241 -5.420 1.00 0.00 C ATOM 158 NE2 HIS A 12 6.206 3.321 -4.521 1.00 0.00 N ATOM 0 H HIS A 12 1.154 4.884 -1.822 1.00 0.00 H new ATOM 0 HA HIS A 12 3.230 2.998 -1.678 1.00 0.00 H new ATOM 0 HB2 HIS A 12 2.478 5.013 -3.343 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.750 5.839 -2.466 1.00 0.00 H new ATOM 0 HD1 HIS A 12 3.248 3.832 -5.378 1.00 0.00 H new ATOM 0 HD2 HIS A 12 6.251 4.124 -2.483 1.00 0.00 H new ATOM 0 HE1 HIS A 12 5.335 2.819 -6.410 1.00 0.00 H new ATOM 167 N ALA A 13 3.632 5.718 0.165 1.00 0.00 N ATOM 168 CA ALA A 13 4.380 6.273 1.285 1.00 0.00 C ATOM 169 C ALA A 13 4.234 5.386 2.504 1.00 0.00 C ATOM 170 O ALA A 13 5.203 5.150 3.218 1.00 0.00 O ATOM 171 CB ALA A 13 3.924 7.690 1.602 1.00 0.00 C ATOM 0 H ALA A 13 2.895 6.327 -0.190 1.00 0.00 H new ATOM 0 HA ALA A 13 5.432 6.314 1.003 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.500 8.078 2.442 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.080 8.326 0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.865 7.682 1.861 1.00 0.00 H new ATOM 177 N HIS A 14 3.014 4.900 2.743 1.00 0.00 N ATOM 178 CA HIS A 14 2.763 4.003 3.866 1.00 0.00 C ATOM 179 C HIS A 14 3.731 2.838 3.810 1.00 0.00 C ATOM 180 O HIS A 14 4.489 2.597 4.747 1.00 0.00 O ATOM 181 CB HIS A 14 1.331 3.462 3.840 1.00 0.00 C ATOM 182 CG HIS A 14 1.087 2.372 4.847 1.00 0.00 C ATOM 183 ND1 HIS A 14 1.135 2.577 6.211 1.00 0.00 N ATOM 184 CD2 HIS A 14 0.830 1.051 4.679 1.00 0.00 C ATOM 185 CE1 HIS A 14 0.923 1.432 6.835 1.00 0.00 C ATOM 186 NE2 HIS A 14 0.733 0.490 5.928 1.00 0.00 N ATOM 0 H HIS A 14 2.192 5.112 2.177 1.00 0.00 H new ATOM 0 HA HIS A 14 2.902 4.570 4.787 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.637 4.282 4.027 1.00 0.00 H new ATOM 0 HB3 HIS A 14 1.112 3.081 2.843 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.722 0.535 3.736 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.908 1.290 7.905 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.545 -0.493 6.124 1.00 0.00 H new ATOM 195 N CYS A 15 3.685 2.121 2.698 1.00 0.00 N ATOM 196 CA CYS A 15 4.567 0.975 2.494 1.00 0.00 C ATOM 197 C CYS A 15 6.034 1.380 2.641 1.00 0.00 C ATOM 198 O CYS A 15 6.841 0.660 3.235 1.00 0.00 O ATOM 199 CB CYS A 15 4.312 0.347 1.123 1.00 0.00 C ATOM 200 SG CYS A 15 3.003 -0.918 1.127 1.00 0.00 S ATOM 0 H CYS A 15 3.049 2.309 1.923 1.00 0.00 H new ATOM 0 HA CYS A 15 4.348 0.233 3.261 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.042 1.133 0.418 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.237 -0.102 0.761 1.00 0.00 H new ATOM 205 N LEU A 16 6.355 2.554 2.137 1.00 0.00 N ATOM 206 CA LEU A 16 7.712 3.082 2.204 1.00 0.00 C ATOM 207 C LEU A 16 8.127 3.344 3.648 1.00 0.00 C ATOM 208 O LEU A 16 9.305 3.246 3.992 1.00 0.00 O ATOM 209 CB LEU A 16 7.814 4.374 1.391 1.00 0.00 C ATOM 210 CG LEU A 16 8.432 4.228 -0.002 1.00 0.00 C ATOM 211 CD1 LEU A 16 7.888 2.999 -0.706 1.00 0.00 C ATOM 212 CD2 LEU A 16 8.166 5.471 -0.836 1.00 0.00 C ATOM 0 H LEU A 16 5.690 3.170 1.670 1.00 0.00 H new ATOM 0 HA LEU A 16 8.387 2.337 1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.814 4.795 1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.404 5.094 1.958 1.00 0.00 H new ATOM 0 HG LEU A 16 9.509 4.110 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.341 2.915 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.125 2.110 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.807 3.088 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.613 5.349 -1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.091 5.616 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.604 6.340 -0.344 1.00 0.00 H new ATOM 224 N SER A 17 7.147 3.647 4.492 1.00 0.00 N ATOM 225 CA SER A 17 7.406 3.934 5.895 1.00 0.00 C ATOM 226 C SER A 17 7.752 2.664 6.664 1.00 0.00 C ATOM 227 O SER A 17 8.295 2.729 7.765 1.00 0.00 O ATOM 228 CB SER A 17 6.192 4.613 6.536 1.00 0.00 C ATOM 229 OG SER A 17 5.763 5.727 5.771 1.00 0.00 O ATOM 0 H SER A 17 6.164 3.700 4.226 1.00 0.00 H new ATOM 0 HA SER A 17 8.261 4.609 5.942 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.377 3.895 6.627 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.445 4.938 7.545 1.00 0.00 H new ATOM 0 HG SER A 17 5.341 5.413 4.944 1.00 0.00 H new ATOM 235 N ILE A 18 7.451 1.504 6.087 1.00 0.00 N ATOM 236 CA ILE A 18 7.751 0.253 6.762 1.00 0.00 C ATOM 237 C ILE A 18 8.989 -0.403 6.157 1.00 0.00 C ATOM 238 O ILE A 18 9.168 -1.619 6.233 1.00 0.00 O ATOM 239 CB ILE A 18 6.557 -0.735 6.760 1.00 0.00 C ATOM 240 CG1 ILE A 18 5.533 -0.374 5.681 1.00 0.00 C ATOM 241 CG2 ILE A 18 5.889 -0.750 8.128 1.00 0.00 C ATOM 242 CD1 ILE A 18 4.345 -1.313 5.626 1.00 0.00 C ATOM 0 H ILE A 18 7.009 1.407 5.173 1.00 0.00 H new ATOM 0 HA ILE A 18 7.951 0.502 7.804 1.00 0.00 H new ATOM 0 HB ILE A 18 6.945 -1.729 6.536 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.175 0.640 5.858 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.028 -0.372 4.710 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.051 -1.447 8.116 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.611 -1.063 8.882 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.526 0.250 8.366 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.664 -0.992 4.838 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.691 -2.325 5.417 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.824 -1.298 6.583 1.00 0.00 H new ATOM 254 N GLY A 19 9.834 0.414 5.536 1.00 0.00 N ATOM 255 CA GLY A 19 11.070 -0.082 4.952 1.00 0.00 C ATOM 256 C GLY A 19 10.912 -0.597 3.532 1.00 0.00 C ATOM 257 O GLY A 19 11.887 -0.653 2.777 1.00 0.00 O ATOM 0 H GLY A 19 9.685 1.417 5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.811 0.718 4.959 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.461 -0.884 5.578 1.00 0.00 H new ATOM 261 N ARG A 20 9.690 -0.959 3.161 1.00 0.00 N ATOM 262 CA ARG A 20 9.414 -1.487 1.827 1.00 0.00 C ATOM 263 C ARG A 20 9.726 -0.445 0.750 1.00 0.00 C ATOM 264 O ARG A 20 9.864 0.744 1.039 1.00 0.00 O ATOM 265 CB ARG A 20 7.957 -1.944 1.721 1.00 0.00 C ATOM 266 CG ARG A 20 7.655 -3.235 2.476 1.00 0.00 C ATOM 267 CD ARG A 20 7.389 -2.982 3.954 1.00 0.00 C ATOM 268 NE ARG A 20 6.696 -4.101 4.590 1.00 0.00 N ATOM 269 CZ ARG A 20 6.922 -4.520 5.836 1.00 0.00 C ATOM 270 NH1 ARG A 20 7.836 -3.923 6.594 1.00 0.00 N ATOM 271 NH2 ARG A 20 6.223 -5.533 6.327 1.00 0.00 N ATOM 0 H ARG A 20 8.871 -0.897 3.766 1.00 0.00 H new ATOM 0 HA ARG A 20 10.062 -2.348 1.665 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.310 -1.153 2.101 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.706 -2.083 0.669 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.788 -3.722 2.030 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.495 -3.922 2.371 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.335 -2.804 4.466 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.792 -2.077 4.064 1.00 0.00 H new ATOM 0 HE ARG A 20 5.991 -4.595 4.043 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.371 -3.138 6.224 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.002 -4.250 7.546 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.515 -5.990 5.753 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.393 -5.856 7.279 1.00 0.00 H new ATOM 285 N LYS A 21 9.867 -0.897 -0.490 1.00 0.00 N ATOM 286 CA LYS A 21 10.186 0.008 -1.588 1.00 0.00 C ATOM 287 C LYS A 21 8.975 0.267 -2.470 1.00 0.00 C ATOM 288 O LYS A 21 8.883 1.300 -3.132 1.00 0.00 O ATOM 289 CB LYS A 21 11.351 -0.551 -2.411 1.00 0.00 C ATOM 290 CG LYS A 21 12.407 0.491 -2.759 1.00 0.00 C ATOM 291 CD LYS A 21 12.682 1.437 -1.593 1.00 0.00 C ATOM 292 CE LYS A 21 13.224 0.702 -0.373 1.00 0.00 C ATOM 293 NZ LYS A 21 12.650 1.236 0.896 1.00 0.00 N ATOM 0 H LYS A 21 9.767 -1.876 -0.760 1.00 0.00 H new ATOM 0 HA LYS A 21 10.485 0.965 -1.160 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.822 -1.362 -1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.960 -0.982 -3.333 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.331 -0.011 -3.045 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.077 1.067 -3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.398 2.197 -1.905 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.762 1.956 -1.324 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.994 -0.360 -0.457 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.310 0.792 -0.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.759 0.529 1.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.150 2.108 1.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.640 1.444 0.760 1.00 0.00 H new ATOM 307 N PHE A 22 8.051 -0.673 -2.474 1.00 0.00 N ATOM 308 CA PHE A 22 6.828 -0.547 -3.253 1.00 0.00 C ATOM 309 C PHE A 22 5.680 -1.181 -2.495 1.00 0.00 C ATOM 310 O PHE A 22 5.895 -1.947 -1.550 1.00 0.00 O ATOM 311 CB PHE A 22 6.937 -1.210 -4.632 1.00 0.00 C ATOM 312 CG PHE A 22 8.174 -0.849 -5.411 1.00 0.00 C ATOM 313 CD1 PHE A 22 8.243 0.348 -6.106 1.00 0.00 C ATOM 314 CD2 PHE A 22 9.262 -1.706 -5.448 1.00 0.00 C ATOM 315 CE1 PHE A 22 9.375 0.685 -6.823 1.00 0.00 C ATOM 316 CE2 PHE A 22 10.397 -1.374 -6.164 1.00 0.00 C ATOM 317 CZ PHE A 22 10.454 -0.177 -6.852 1.00 0.00 C ATOM 0 H PHE A 22 8.122 -1.541 -1.943 1.00 0.00 H new ATOM 0 HA PHE A 22 6.654 0.518 -3.408 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.909 -2.292 -4.502 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.061 -0.937 -5.221 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.402 1.025 -6.087 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.223 -2.643 -4.912 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.416 1.621 -7.360 1.00 0.00 H new ATOM 0 HE2 PHE A 22 11.239 -2.050 -6.186 1.00 0.00 H new ATOM 0 HZ PHE A 22 11.340 0.084 -7.411 1.00 0.00 H new ATOM 327 N GLY A 23 4.477 -0.874 -2.926 1.00 0.00 N ATOM 328 CA GLY A 23 3.294 -1.409 -2.292 1.00 0.00 C ATOM 329 C GLY A 23 2.049 -0.681 -2.732 1.00 0.00 C ATOM 330 O GLY A 23 2.084 0.527 -2.959 1.00 0.00 O ATOM 0 H GLY A 23 4.292 -0.255 -3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.200 -2.468 -2.531 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.396 -1.335 -1.209 1.00 0.00 H new ATOM 334 N PHE A 24 0.957 -1.416 -2.858 1.00 0.00 N ATOM 335 CA PHE A 24 -0.312 -0.844 -3.281 1.00 0.00 C ATOM 336 C PHE A 24 -1.457 -1.647 -2.687 1.00 0.00 C ATOM 337 O PHE A 24 -1.237 -2.698 -2.092 1.00 0.00 O ATOM 338 CB PHE A 24 -0.416 -0.809 -4.812 1.00 0.00 C ATOM 339 CG PHE A 24 -0.267 -2.154 -5.472 1.00 0.00 C ATOM 340 CD1 PHE A 24 0.989 -2.667 -5.760 1.00 0.00 C ATOM 341 CD2 PHE A 24 -1.384 -2.903 -5.809 1.00 0.00 C ATOM 342 CE1 PHE A 24 1.127 -3.901 -6.367 1.00 0.00 C ATOM 343 CE2 PHE A 24 -1.253 -4.136 -6.417 1.00 0.00 C ATOM 344 CZ PHE A 24 0.005 -4.636 -6.696 1.00 0.00 C ATOM 0 H PHE A 24 0.923 -2.418 -2.672 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.370 0.183 -2.920 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.381 -0.386 -5.090 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.350 -0.139 -5.202 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.870 -2.095 -5.507 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.369 -2.517 -5.593 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.111 -4.290 -6.584 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.132 -4.709 -6.674 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.110 -5.600 -7.171 1.00 0.00 H new ATOM 354 N CYS A 25 -2.673 -1.160 -2.847 1.00 0.00 N ATOM 355 CA CYS A 25 -3.840 -1.837 -2.308 1.00 0.00 C ATOM 356 C CYS A 25 -4.084 -3.162 -3.019 1.00 0.00 C ATOM 357 O CYS A 25 -4.268 -3.205 -4.235 1.00 0.00 O ATOM 358 CB CYS A 25 -5.070 -0.938 -2.421 1.00 0.00 C ATOM 359 SG CYS A 25 -5.159 0.013 -3.974 1.00 0.00 S ATOM 0 H CYS A 25 -2.880 -0.296 -3.347 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.653 -2.050 -1.256 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.965 -1.553 -2.333 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -5.077 -0.243 -1.581 1.00 0.00 H new ATOM 364 N ALA A 26 -4.072 -4.239 -2.251 1.00 0.00 N ATOM 365 CA ALA A 26 -4.291 -5.569 -2.795 1.00 0.00 C ATOM 366 C ALA A 26 -5.196 -6.382 -1.877 1.00 0.00 C ATOM 367 O ALA A 26 -5.640 -5.893 -0.831 1.00 0.00 O ATOM 368 CB ALA A 26 -2.962 -6.280 -3.006 1.00 0.00 C ATOM 0 H ALA A 26 -3.912 -4.218 -1.244 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.787 -5.470 -3.761 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.142 -7.275 -3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.350 -5.708 -3.703 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.441 -6.368 -2.053 1.00 0.00 H new ATOM 374 N GLY A 27 -5.468 -7.618 -2.273 1.00 0.00 N ATOM 375 CA GLY A 27 -6.316 -8.486 -1.483 1.00 0.00 C ATOM 376 C GLY A 27 -7.787 -8.218 -1.728 1.00 0.00 C ATOM 377 O GLY A 27 -8.229 -8.197 -2.877 1.00 0.00 O ATOM 0 H GLY A 27 -5.114 -8.036 -3.133 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.092 -9.526 -1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.093 -8.346 -0.425 1.00 0.00 H new ATOM 381 N PRO A 28 -8.572 -8.010 -0.664 1.00 0.00 N ATOM 382 CA PRO A 28 -10.003 -7.734 -0.784 1.00 0.00 C ATOM 383 C PRO A 28 -10.270 -6.324 -1.303 1.00 0.00 C ATOM 384 O PRO A 28 -9.386 -5.463 -1.278 1.00 0.00 O ATOM 385 CB PRO A 28 -10.510 -7.879 0.652 1.00 0.00 C ATOM 386 CG PRO A 28 -9.331 -7.558 1.504 1.00 0.00 C ATOM 387 CD PRO A 28 -8.124 -8.032 0.741 1.00 0.00 C ATOM 0 HA PRO A 28 -10.495 -8.401 -1.493 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.338 -7.199 0.850 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.874 -8.889 0.843 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.272 -6.488 1.701 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.401 -8.056 2.471 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.267 -7.377 0.899 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.822 -9.033 1.050 1.00 0.00 H new ATOM 395 N LEU A 29 -11.496 -6.082 -1.751 1.00 0.00 N ATOM 396 CA LEU A 29 -11.880 -4.775 -2.276 1.00 0.00 C ATOM 397 C LEU A 29 -12.117 -3.779 -1.140 1.00 0.00 C ATOM 398 O LEU A 29 -13.174 -3.162 -1.038 1.00 0.00 O ATOM 399 CB LEU A 29 -13.133 -4.902 -3.149 1.00 0.00 C ATOM 400 CG LEU A 29 -13.411 -3.711 -4.072 1.00 0.00 C ATOM 401 CD1 LEU A 29 -12.262 -3.512 -5.050 1.00 0.00 C ATOM 402 CD2 LEU A 29 -14.719 -3.913 -4.820 1.00 0.00 C ATOM 0 H LEU A 29 -12.244 -6.775 -1.762 1.00 0.00 H new ATOM 0 HA LEU A 29 -11.062 -4.398 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.041 -5.800 -3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.996 -5.046 -2.499 1.00 0.00 H new ATOM 0 HG LEU A 29 -13.499 -2.814 -3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.478 -2.662 -5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.342 -3.323 -4.497 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.142 -4.409 -5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -14.902 -3.058 -5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -14.658 -4.820 -5.421 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -15.536 -4.006 -4.105 1.00 0.00 H new ATOM 414 N ARG A 30 -11.122 -3.645 -0.277 1.00 0.00 N ATOM 415 CA ARG A 30 -11.192 -2.726 0.848 1.00 0.00 C ATOM 416 C ARG A 30 -10.042 -1.735 0.767 1.00 0.00 C ATOM 417 O ARG A 30 -9.860 -0.897 1.655 1.00 0.00 O ATOM 418 CB ARG A 30 -11.134 -3.490 2.173 1.00 0.00 C ATOM 419 CG ARG A 30 -12.344 -4.379 2.415 1.00 0.00 C ATOM 420 CD ARG A 30 -12.232 -5.128 3.731 1.00 0.00 C ATOM 421 NE ARG A 30 -13.366 -6.031 3.943 1.00 0.00 N ATOM 422 CZ ARG A 30 -13.359 -7.048 4.806 1.00 0.00 C ATOM 423 NH1 ARG A 30 -12.282 -7.290 5.547 1.00 0.00 N ATOM 424 NH2 ARG A 30 -14.435 -7.821 4.930 1.00 0.00 N ATOM 0 H ARG A 30 -10.248 -4.167 -0.336 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.139 -2.188 0.804 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.233 -4.104 2.190 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.049 -2.775 2.992 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.249 -3.771 2.418 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.442 -5.092 1.597 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.304 -5.700 3.745 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.178 -4.413 4.552 1.00 0.00 H new ATOM 0 HE ARG A 30 -14.213 -5.872 3.397 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.457 -6.697 5.457 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.281 -8.069 6.206 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -15.264 -7.636 4.365 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.431 -8.599 5.590 1.00 0.00 H new ATOM 438 N ALA A 31 -9.282 -1.844 -0.322 1.00 0.00 N ATOM 439 CA ALA A 31 -8.127 -0.988 -0.571 1.00 0.00 C ATOM 440 C ALA A 31 -7.065 -1.185 0.506 1.00 0.00 C ATOM 441 O ALA A 31 -6.484 -0.224 1.019 1.00 0.00 O ATOM 442 CB ALA A 31 -8.547 0.469 -0.677 1.00 0.00 C ATOM 0 H ALA A 31 -9.452 -2.531 -1.057 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.687 -1.275 -1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.669 1.088 -0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.253 0.585 -1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.020 0.780 0.255 1.00 0.00 H new ATOM 448 N THR A 32 -6.833 -2.443 0.846 1.00 0.00 N ATOM 449 CA THR A 32 -5.848 -2.813 1.843 1.00 0.00 C ATOM 450 C THR A 32 -4.450 -2.789 1.238 1.00 0.00 C ATOM 451 O THR A 32 -4.090 -3.670 0.457 1.00 0.00 O ATOM 452 CB THR A 32 -6.150 -4.220 2.385 1.00 0.00 C ATOM 453 OG1 THR A 32 -7.006 -4.911 1.461 1.00 0.00 O ATOM 454 CG2 THR A 32 -6.820 -4.147 3.748 1.00 0.00 C ATOM 0 H THR A 32 -7.325 -3.236 0.436 1.00 0.00 H new ATOM 0 HA THR A 32 -5.895 -2.094 2.661 1.00 0.00 H new ATOM 0 HB THR A 32 -5.209 -4.760 2.496 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.481 -5.208 0.688 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.023 -5.156 4.108 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.161 -3.636 4.450 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.757 -3.597 3.664 1.00 0.00 H new ATOM 462 N CYS A 33 -3.671 -1.773 1.577 1.00 0.00 N ATOM 463 CA CYS A 33 -2.324 -1.648 1.039 1.00 0.00 C ATOM 464 C CYS A 33 -1.446 -2.825 1.423 1.00 0.00 C ATOM 465 O CYS A 33 -1.279 -3.147 2.598 1.00 0.00 O ATOM 466 CB CYS A 33 -1.653 -0.360 1.498 1.00 0.00 C ATOM 467 SG CYS A 33 -2.403 1.160 0.832 1.00 0.00 S ATOM 0 H CYS A 33 -3.945 -1.028 2.217 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.434 -1.630 -0.045 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.682 -0.318 2.587 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.603 -0.389 1.208 1.00 0.00 H new ATOM 472 N THR A 34 -0.905 -3.448 0.406 1.00 0.00 N ATOM 473 CA THR A 34 -0.012 -4.577 0.553 1.00 0.00 C ATOM 474 C THR A 34 1.293 -4.259 -0.164 1.00 0.00 C ATOM 475 O THR A 34 1.293 -3.907 -1.347 1.00 0.00 O ATOM 476 CB THR A 34 -0.626 -5.861 -0.034 1.00 0.00 C ATOM 477 OG1 THR A 34 -2.039 -5.882 0.216 1.00 0.00 O ATOM 478 CG2 THR A 34 0.016 -7.100 0.573 1.00 0.00 C ATOM 0 H THR A 34 -1.074 -3.183 -0.564 1.00 0.00 H new ATOM 0 HA THR A 34 0.165 -4.750 1.615 1.00 0.00 H new ATOM 0 HB THR A 34 -0.442 -5.867 -1.108 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.371 -6.801 0.139 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.436 -7.993 0.141 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.085 -7.096 0.362 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.141 -7.100 1.652 1.00 0.00 H new ATOM 486 N CYS A 35 2.395 -4.353 0.550 1.00 0.00 N ATOM 487 CA CYS A 35 3.687 -4.043 -0.026 1.00 0.00 C ATOM 488 C CYS A 35 4.301 -5.265 -0.706 1.00 0.00 C ATOM 489 O CYS A 35 3.791 -6.378 -0.568 1.00 0.00 O ATOM 490 CB CYS A 35 4.613 -3.503 1.056 1.00 0.00 C ATOM 491 SG CYS A 35 3.785 -2.408 2.260 1.00 0.00 S ATOM 0 H CYS A 35 2.423 -4.641 1.528 1.00 0.00 H new ATOM 0 HA CYS A 35 3.551 -3.280 -0.793 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.060 -4.342 1.590 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.428 -2.956 0.583 1.00 0.00 H new ATOM 496 N GLY A 36 5.386 -5.040 -1.449 1.00 0.00 N ATOM 497 CA GLY A 36 6.059 -6.120 -2.161 1.00 0.00 C ATOM 498 C GLY A 36 6.387 -7.308 -1.274 1.00 0.00 C ATOM 499 O GLY A 36 6.112 -8.451 -1.629 1.00 0.00 O ATOM 0 H GLY A 36 5.814 -4.122 -1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.427 -6.453 -2.984 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.980 -5.738 -2.601 1.00 0.00 H new ATOM 503 N LYS A 37 6.973 -7.036 -0.117 1.00 0.00 N ATOM 504 CA LYS A 37 7.328 -8.090 0.822 1.00 0.00 C ATOM 505 C LYS A 37 6.435 -8.008 2.049 1.00 0.00 C ATOM 506 O LYS A 37 6.917 -8.092 3.181 1.00 0.00 O ATOM 507 CB LYS A 37 8.800 -7.979 1.235 1.00 0.00 C ATOM 508 CG LYS A 37 9.778 -8.202 0.093 1.00 0.00 C ATOM 509 CD LYS A 37 11.171 -8.543 0.608 1.00 0.00 C ATOM 510 CE LYS A 37 11.736 -7.435 1.484 1.00 0.00 C ATOM 511 NZ LYS A 37 13.049 -7.814 2.081 1.00 0.00 N ATOM 0 H LYS A 37 7.213 -6.095 0.194 1.00 0.00 H new ATOM 0 HA LYS A 37 7.182 -9.053 0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.974 -6.991 1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.003 -8.706 2.021 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.417 -9.009 -0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.827 -7.306 -0.525 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.131 -9.472 1.177 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.839 -8.715 -0.236 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.855 -6.528 0.891 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.028 -7.205 2.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.401 -7.033 2.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.931 -8.665 2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.732 -8.009 1.322 1.00 0.00 H new ATOM 525 N GLN A 38 5.138 -7.828 1.802 1.00 0.00 N ATOM 526 CA GLN A 38 4.142 -7.713 2.863 1.00 0.00 C ATOM 527 C GLN A 38 4.477 -6.537 3.770 1.00 0.00 C ATOM 528 O GLN A 38 4.944 -5.502 3.244 1.00 0.00 O ATOM 529 CB GLN A 38 4.043 -9.015 3.670 1.00 0.00 C ATOM 530 CG GLN A 38 3.471 -10.179 2.875 1.00 0.00 C ATOM 531 CD GLN A 38 3.260 -11.425 3.716 1.00 0.00 C ATOM 532 OE1 GLN A 38 3.991 -11.683 4.670 1.00 0.00 O ATOM 533 NE2 GLN A 38 2.251 -12.209 3.368 1.00 0.00 N ATOM 534 OXT GLN A 38 4.281 -6.645 4.996 1.00 0.00 O ATOM 0 H GLN A 38 4.750 -7.758 0.861 1.00 0.00 H new ATOM 0 HA GLN A 38 3.169 -7.534 2.405 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.035 -9.285 4.032 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.419 -8.843 4.547 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.520 -9.879 2.435 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.144 -10.414 2.050 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.665 -11.963 2.570 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.059 -13.059 3.898 1.00 0.00 H new TER 543 GLN A 38