USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 252 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 11 LYS NZ :NH3+ -169:sc= -1.54 (180deg=-1.9!) USER MOD Set 1.2: A 19 ASN : amide:sc= -3.53! C(o=-5.1!,f=-16!) USER MOD Single : A 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -113:sc= -6.43! (180deg=-8.28!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.0232 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 130:sc= -0.629 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0.33) USER MOD Single : A 27 GLN : amide:sc= 0.215 X(o=0.21,f=-0.1) USER MOD Single : A 28 GLN :FLIP amide:sc= -1 F(o=-4.5!,f=-1) USER MOD Single : A 29 SER OG : rot -61:sc= 0.566 USER MOD Single : A 30 SER OG : rot -23:sc= 0.255! USER MOD Single : A 34 LYS NZ :NH3+ 171:sc= -0.866 (180deg=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 4.428 -9.886 -1.459 1.00 0.00 N ATOM 2 CA CYS A 1 3.583 -8.741 -1.020 1.00 0.00 C ATOM 3 C CYS A 1 3.930 -8.364 0.429 1.00 0.00 C ATOM 4 O CYS A 1 3.937 -9.194 1.315 1.00 0.00 O ATOM 5 CB CYS A 1 2.105 -9.120 -1.155 1.00 0.00 C ATOM 6 SG CYS A 1 1.537 -9.979 0.332 1.00 0.00 S ATOM 0 H1 CYS A 1 4.190 -10.137 -2.440 1.00 0.00 H new ATOM 0 H2 CYS A 1 5.431 -9.618 -1.404 1.00 0.00 H new ATOM 0 H3 CYS A 1 4.254 -10.703 -0.840 1.00 0.00 H new ATOM 0 HA CYS A 1 3.776 -7.873 -1.650 1.00 0.00 H new ATOM 0 HB2 CYS A 1 1.506 -8.224 -1.316 1.00 0.00 H new ATOM 0 HB3 CYS A 1 1.965 -9.758 -2.027 1.00 0.00 H new ATOM 13 N GLY A 2 4.267 -7.123 0.657 1.00 0.00 N ATOM 14 CA GLY A 2 4.670 -6.684 2.028 1.00 0.00 C ATOM 15 C GLY A 2 3.506 -6.698 3.045 1.00 0.00 C ATOM 16 O GLY A 2 3.635 -7.231 4.129 1.00 0.00 O ATOM 0 H GLY A 2 4.281 -6.389 -0.051 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.467 -7.334 2.390 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.082 -5.676 1.972 1.00 0.00 H new ATOM 20 N SER A 3 2.396 -6.087 2.721 1.00 0.00 N ATOM 21 CA SER A 3 1.229 -6.022 3.676 1.00 0.00 C ATOM 22 C SER A 3 1.452 -4.903 4.717 1.00 0.00 C ATOM 23 O SER A 3 2.500 -4.296 4.769 1.00 0.00 O ATOM 24 CB SER A 3 1.060 -7.367 4.402 1.00 0.00 C ATOM 25 OG SER A 3 -0.323 -7.700 4.449 1.00 0.00 O ATOM 0 H SER A 3 2.239 -5.622 1.827 1.00 0.00 H new ATOM 0 HA SER A 3 0.327 -5.806 3.103 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.617 -8.147 3.883 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.466 -7.303 5.412 1.00 0.00 H new ATOM 0 HG SER A 3 -0.438 -8.558 4.909 1.00 0.00 H new ATOM 31 N LYS A 4 0.458 -4.617 5.532 1.00 0.00 N ATOM 32 CA LYS A 4 0.595 -3.522 6.553 1.00 0.00 C ATOM 33 C LYS A 4 2.061 -3.364 6.975 1.00 0.00 C ATOM 34 O LYS A 4 2.733 -4.321 7.304 1.00 0.00 O ATOM 35 CB LYS A 4 -0.265 -3.847 7.785 1.00 0.00 C ATOM 36 CG LYS A 4 -0.577 -2.557 8.554 1.00 0.00 C ATOM 37 CD LYS A 4 -1.532 -2.877 9.708 1.00 0.00 C ATOM 38 CE LYS A 4 -1.668 -1.656 10.625 1.00 0.00 C ATOM 39 NZ LYS A 4 -2.131 -0.479 9.841 1.00 0.00 N ATOM 0 H LYS A 4 -0.443 -5.095 5.534 1.00 0.00 H new ATOM 0 HA LYS A 4 0.254 -2.587 6.109 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.192 -4.331 7.476 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.261 -4.549 8.432 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.343 -2.117 8.939 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.027 -1.822 7.887 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.509 -3.159 9.316 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.158 -3.729 10.275 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.375 -1.870 11.427 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.710 -1.436 11.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.374 0.233 9.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.371 -0.778 8.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.972 -0.068 10.295 1.00 0.00 H new ATOM 53 N ARG A 5 2.560 -2.154 6.941 1.00 0.00 N ATOM 54 CA ARG A 5 3.984 -1.899 7.306 1.00 0.00 C ATOM 55 C ARG A 5 4.868 -2.880 6.557 1.00 0.00 C ATOM 56 O ARG A 5 5.313 -3.864 7.116 1.00 0.00 O ATOM 57 CB ARG A 5 4.222 -2.117 8.803 1.00 0.00 C ATOM 58 CG ARG A 5 3.252 -1.285 9.639 1.00 0.00 C ATOM 59 CD ARG A 5 3.785 -1.188 11.069 1.00 0.00 C ATOM 60 NE ARG A 5 4.174 -2.546 11.549 1.00 0.00 N ATOM 61 CZ ARG A 5 3.267 -3.450 11.796 1.00 0.00 C ATOM 62 NH1 ARG A 5 2.003 -3.177 11.628 1.00 0.00 N ATOM 63 NH2 ARG A 5 3.627 -4.634 12.212 1.00 0.00 N ATOM 0 H ARG A 5 2.033 -1.323 6.672 1.00 0.00 H new ATOM 0 HA ARG A 5 4.217 -0.866 7.048 1.00 0.00 H new ATOM 0 HB2 ARG A 5 4.101 -3.173 9.044 1.00 0.00 H new ATOM 0 HB3 ARG A 5 5.248 -1.848 9.055 1.00 0.00 H new ATOM 0 HG2 ARG A 5 3.143 -0.289 9.209 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.263 -1.744 9.636 1.00 0.00 H new ATOM 0 HD2 ARG A 5 4.645 -0.519 11.103 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.024 -0.763 11.724 1.00 0.00 H new ATOM 0 HE ARG A 5 5.160 -2.770 11.685 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.720 -2.253 11.302 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.298 -3.888 11.823 1.00 0.00 H new ATOM 0 HH21 ARG A 5 4.615 -4.850 12.343 1.00 0.00 H new ATOM 0 HH22 ARG A 5 2.920 -5.343 12.406 1.00 0.00 H new ATOM 77 N ALA A 6 5.136 -2.642 5.305 1.00 0.00 N ATOM 78 CA ALA A 6 5.993 -3.608 4.572 1.00 0.00 C ATOM 79 C ALA A 6 6.377 -3.068 3.189 1.00 0.00 C ATOM 80 O ALA A 6 5.570 -2.523 2.458 1.00 0.00 O ATOM 81 CB ALA A 6 5.213 -4.906 4.400 1.00 0.00 C ATOM 0 H ALA A 6 4.807 -1.839 4.768 1.00 0.00 H new ATOM 0 HA ALA A 6 6.908 -3.773 5.141 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.826 -5.630 3.863 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.953 -5.307 5.380 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.302 -4.711 3.834 1.00 0.00 H new ATOM 87 N TRP A 7 7.630 -3.223 2.844 1.00 0.00 N ATOM 88 CA TRP A 7 8.141 -2.742 1.534 1.00 0.00 C ATOM 89 C TRP A 7 7.260 -3.257 0.387 1.00 0.00 C ATOM 90 O TRP A 7 6.886 -4.411 0.346 1.00 0.00 O ATOM 91 CB TRP A 7 9.567 -3.263 1.364 1.00 0.00 C ATOM 92 CG TRP A 7 9.957 -3.197 -0.072 1.00 0.00 C ATOM 93 CD1 TRP A 7 10.512 -2.128 -0.676 1.00 0.00 C ATOM 94 CD2 TRP A 7 9.827 -4.229 -1.087 1.00 0.00 C ATOM 95 NE1 TRP A 7 10.729 -2.435 -2.010 1.00 0.00 N ATOM 96 CE2 TRP A 7 10.322 -3.723 -2.308 1.00 0.00 C ATOM 97 CE3 TRP A 7 9.326 -5.542 -1.063 1.00 0.00 C ATOM 98 CZ2 TRP A 7 10.323 -4.496 -3.469 1.00 0.00 C ATOM 99 CZ3 TRP A 7 9.326 -6.323 -2.228 1.00 0.00 C ATOM 100 CH2 TRP A 7 9.823 -5.801 -3.429 1.00 0.00 C ATOM 0 H TRP A 7 8.332 -3.673 3.432 1.00 0.00 H new ATOM 0 HA TRP A 7 8.124 -1.652 1.509 1.00 0.00 H new ATOM 0 HB2 TRP A 7 10.256 -2.670 1.966 1.00 0.00 H new ATOM 0 HB3 TRP A 7 9.634 -4.290 1.722 1.00 0.00 H new ATOM 0 HD1 TRP A 7 10.748 -1.188 -0.200 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.138 -1.791 -2.688 1.00 0.00 H new ATOM 0 HE3 TRP A 7 8.939 -5.952 -0.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 10.707 -4.089 -4.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 8.941 -7.332 -2.199 1.00 0.00 H new ATOM 0 HH2 TRP A 7 9.820 -6.406 -4.324 1.00 0.00 H new ATOM 111 N CYS A 8 6.950 -2.406 -0.553 1.00 0.00 N ATOM 112 CA CYS A 8 6.117 -2.825 -1.719 1.00 0.00 C ATOM 113 C CYS A 8 6.910 -2.524 -2.995 1.00 0.00 C ATOM 114 O CYS A 8 7.670 -1.577 -3.052 1.00 0.00 O ATOM 115 CB CYS A 8 4.808 -2.028 -1.713 1.00 0.00 C ATOM 116 SG CYS A 8 4.564 -1.168 -3.290 1.00 0.00 S ATOM 0 H CYS A 8 7.241 -1.428 -0.564 1.00 0.00 H new ATOM 0 HA CYS A 8 5.881 -3.888 -1.668 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.970 -2.700 -1.528 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.823 -1.304 -0.898 1.00 0.00 H new ATOM 121 N LYS A 9 6.743 -3.311 -4.020 1.00 0.00 N ATOM 122 CA LYS A 9 7.493 -3.046 -5.279 1.00 0.00 C ATOM 123 C LYS A 9 6.663 -2.096 -6.148 1.00 0.00 C ATOM 124 O LYS A 9 7.149 -1.100 -6.640 1.00 0.00 O ATOM 125 CB LYS A 9 7.734 -4.376 -5.993 1.00 0.00 C ATOM 126 CG LYS A 9 8.591 -4.169 -7.245 1.00 0.00 C ATOM 127 CD LYS A 9 9.133 -5.522 -7.730 1.00 0.00 C ATOM 128 CE LYS A 9 8.003 -6.391 -8.302 1.00 0.00 C ATOM 129 NZ LYS A 9 8.278 -7.826 -8.002 1.00 0.00 N ATOM 0 H LYS A 9 6.124 -4.121 -4.041 1.00 0.00 H new ATOM 0 HA LYS A 9 8.457 -2.581 -5.074 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.230 -5.073 -5.317 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.780 -4.825 -6.269 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.998 -3.701 -8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.417 -3.493 -7.024 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.895 -5.361 -8.493 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.615 -6.043 -6.903 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.047 -6.095 -7.869 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.925 -6.242 -9.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.513 -8.414 -8.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.182 -8.104 -8.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.331 -7.961 -6.972 1.00 0.00 H new ATOM 143 N GLU A 10 5.400 -2.376 -6.295 1.00 0.00 N ATOM 144 CA GLU A 10 4.506 -1.476 -7.079 1.00 0.00 C ATOM 145 C GLU A 10 3.151 -1.459 -6.376 1.00 0.00 C ATOM 146 O GLU A 10 2.963 -2.101 -5.362 1.00 0.00 O ATOM 147 CB GLU A 10 4.324 -1.983 -8.525 1.00 0.00 C ATOM 148 CG GLU A 10 5.636 -1.850 -9.332 1.00 0.00 C ATOM 149 CD GLU A 10 5.478 -0.798 -10.441 1.00 0.00 C ATOM 150 OE1 GLU A 10 4.740 -1.056 -11.379 1.00 0.00 O ATOM 151 OE2 GLU A 10 6.110 0.241 -10.337 1.00 0.00 O ATOM 0 H GLU A 10 4.942 -3.198 -5.902 1.00 0.00 H new ATOM 0 HA GLU A 10 4.945 -0.480 -7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.007 -3.026 -8.511 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.533 -1.416 -9.015 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.452 -1.567 -8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.900 -2.813 -9.770 1.00 0.00 H new ATOM 158 N LYS A 11 2.201 -0.745 -6.892 1.00 0.00 N ATOM 159 CA LYS A 11 0.871 -0.714 -6.226 1.00 0.00 C ATOM 160 C LYS A 11 0.262 -2.117 -6.198 1.00 0.00 C ATOM 161 O LYS A 11 -0.409 -2.494 -5.258 1.00 0.00 O ATOM 162 CB LYS A 11 -0.067 0.241 -6.968 1.00 0.00 C ATOM 163 CG LYS A 11 -1.422 0.288 -6.239 1.00 0.00 C ATOM 164 CD LYS A 11 -1.927 1.736 -6.109 1.00 0.00 C ATOM 165 CE LYS A 11 -1.740 2.208 -4.665 1.00 0.00 C ATOM 166 NZ LYS A 11 -0.284 2.284 -4.354 1.00 0.00 N ATOM 0 H LYS A 11 2.282 -0.184 -7.740 1.00 0.00 H new ATOM 0 HA LYS A 11 1.002 -0.362 -5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.371 1.238 -7.012 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.205 -0.092 -7.997 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.153 -0.309 -6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.322 -0.157 -5.249 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.379 2.387 -6.791 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.979 1.793 -6.389 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.204 3.185 -4.527 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.234 1.520 -3.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.154 2.421 -3.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.180 1.400 -4.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.139 3.083 -4.867 1.00 0.00 H new ATOM 180 N LYS A 12 0.475 -2.890 -7.223 1.00 0.00 N ATOM 181 CA LYS A 12 -0.109 -4.260 -7.258 1.00 0.00 C ATOM 182 C LYS A 12 0.756 -5.220 -6.432 1.00 0.00 C ATOM 183 O LYS A 12 0.390 -6.357 -6.204 1.00 0.00 O ATOM 184 CB LYS A 12 -0.179 -4.725 -8.720 1.00 0.00 C ATOM 185 CG LYS A 12 -1.423 -5.590 -8.936 1.00 0.00 C ATOM 186 CD LYS A 12 -1.564 -5.902 -10.427 1.00 0.00 C ATOM 187 CE LYS A 12 -2.837 -6.718 -10.659 1.00 0.00 C ATOM 188 NZ LYS A 12 -2.800 -7.317 -12.021 1.00 0.00 N ATOM 0 H LYS A 12 1.029 -2.633 -8.040 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.111 -4.250 -6.829 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.207 -3.861 -9.384 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.717 -5.292 -8.973 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.342 -6.515 -8.365 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.310 -5.069 -8.575 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.603 -4.976 -11.001 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.694 -6.458 -10.777 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.921 -7.503 -9.907 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.715 -6.080 -10.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.665 -7.872 -12.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.739 -6.560 -12.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.970 -7.938 -12.105 1.00 0.00 H new ATOM 202 N ASP A 13 1.906 -4.785 -5.988 1.00 0.00 N ATOM 203 CA ASP A 13 2.781 -5.697 -5.194 1.00 0.00 C ATOM 204 C ASP A 13 2.386 -5.681 -3.712 1.00 0.00 C ATOM 205 O ASP A 13 2.981 -6.370 -2.915 1.00 0.00 O ATOM 206 CB ASP A 13 4.249 -5.283 -5.330 1.00 0.00 C ATOM 207 CG ASP A 13 5.143 -6.464 -4.922 1.00 0.00 C ATOM 208 OD1 ASP A 13 4.679 -7.299 -4.167 1.00 0.00 O ATOM 209 OD2 ASP A 13 6.273 -6.518 -5.377 1.00 0.00 O ATOM 0 H ASP A 13 2.275 -3.846 -6.139 1.00 0.00 H new ATOM 0 HA ASP A 13 2.651 -6.706 -5.585 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.463 -4.987 -6.357 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.456 -4.419 -4.699 1.00 0.00 H new ATOM 214 N CYS A 14 1.391 -4.929 -3.316 1.00 0.00 N ATOM 215 CA CYS A 14 1.004 -4.936 -1.890 1.00 0.00 C ATOM 216 C CYS A 14 -0.018 -6.048 -1.684 1.00 0.00 C ATOM 217 O CYS A 14 -0.852 -6.304 -2.531 1.00 0.00 O ATOM 218 CB CYS A 14 0.375 -3.597 -1.514 1.00 0.00 C ATOM 219 SG CYS A 14 1.661 -2.408 -1.052 1.00 0.00 S ATOM 0 H CYS A 14 0.839 -4.318 -3.919 1.00 0.00 H new ATOM 0 HA CYS A 14 1.882 -5.099 -1.265 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.203 -3.210 -2.353 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.319 -3.733 -0.685 1.00 0.00 H new ATOM 224 N CYS A 15 0.044 -6.717 -0.574 1.00 0.00 N ATOM 225 CA CYS A 15 -0.903 -7.814 -0.317 1.00 0.00 C ATOM 226 C CYS A 15 -2.316 -7.332 -0.636 1.00 0.00 C ATOM 227 O CYS A 15 -2.672 -6.200 -0.377 1.00 0.00 O ATOM 228 CB CYS A 15 -0.785 -8.200 1.150 1.00 0.00 C ATOM 229 SG CYS A 15 0.954 -8.485 1.556 1.00 0.00 S ATOM 0 H CYS A 15 0.719 -6.545 0.171 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.683 -8.681 -0.940 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.192 -7.409 1.780 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.369 -9.099 1.349 1.00 0.00 H new ATOM 234 N CYS A 16 -3.116 -8.169 -1.224 1.00 0.00 N ATOM 235 CA CYS A 16 -4.494 -7.744 -1.585 1.00 0.00 C ATOM 236 C CYS A 16 -5.166 -7.091 -0.376 1.00 0.00 C ATOM 237 O CYS A 16 -5.061 -7.564 0.737 1.00 0.00 O ATOM 238 CB CYS A 16 -5.296 -8.969 -2.037 1.00 0.00 C ATOM 239 SG CYS A 16 -7.048 -8.732 -1.663 1.00 0.00 S ATOM 0 H CYS A 16 -2.877 -9.129 -1.471 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.455 -7.019 -2.398 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.162 -9.127 -3.107 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.926 -9.862 -1.534 1.00 0.00 H new ATOM 0 HG CYS A 16 -7.720 -9.775 -2.052 1.00 0.00 H new ATOM 244 N GLY A 17 -5.856 -6.003 -0.592 1.00 0.00 N ATOM 245 CA GLY A 17 -6.541 -5.311 0.538 1.00 0.00 C ATOM 246 C GLY A 17 -5.600 -4.271 1.149 1.00 0.00 C ATOM 247 O GLY A 17 -5.951 -3.578 2.083 1.00 0.00 O ATOM 0 H GLY A 17 -5.975 -5.563 -1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.452 -4.828 0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.839 -6.036 1.295 1.00 0.00 H new ATOM 251 N TYR A 18 -4.404 -4.160 0.633 1.00 0.00 N ATOM 252 CA TYR A 18 -3.434 -3.169 1.193 1.00 0.00 C ATOM 253 C TYR A 18 -2.934 -2.239 0.084 1.00 0.00 C ATOM 254 O TYR A 18 -2.772 -2.636 -1.053 1.00 0.00 O ATOM 255 CB TYR A 18 -2.261 -3.919 1.819 1.00 0.00 C ATOM 256 CG TYR A 18 -2.769 -4.746 2.977 1.00 0.00 C ATOM 257 CD1 TYR A 18 -3.250 -6.043 2.758 1.00 0.00 C ATOM 258 CD2 TYR A 18 -2.765 -4.210 4.271 1.00 0.00 C ATOM 259 CE1 TYR A 18 -3.729 -6.802 3.833 1.00 0.00 C ATOM 260 CE2 TYR A 18 -3.244 -4.969 5.345 1.00 0.00 C ATOM 261 CZ TYR A 18 -3.725 -6.266 5.126 1.00 0.00 C ATOM 262 OH TYR A 18 -4.197 -7.014 6.184 1.00 0.00 O ATOM 0 H TYR A 18 -4.056 -4.712 -0.151 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.927 -2.565 1.954 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.786 -4.561 1.077 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.504 -3.214 2.163 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.252 -6.458 1.761 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.392 -3.211 4.440 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.102 -7.802 3.664 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.243 -4.555 6.342 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.122 -6.494 7.011 1.00 0.00 H new ATOM 272 N ASN A 19 -2.699 -0.995 0.413 1.00 0.00 N ATOM 273 CA ASN A 19 -2.217 -0.011 -0.605 1.00 0.00 C ATOM 274 C ASN A 19 -0.707 0.183 -0.475 1.00 0.00 C ATOM 275 O ASN A 19 -0.141 0.019 0.585 1.00 0.00 O ATOM 276 CB ASN A 19 -2.908 1.338 -0.371 1.00 0.00 C ATOM 277 CG ASN A 19 -2.028 2.478 -0.903 1.00 0.00 C ATOM 278 OD1 ASN A 19 -1.765 2.559 -2.084 1.00 0.00 O ATOM 279 ND2 ASN A 19 -1.553 3.362 -0.069 1.00 0.00 N ATOM 0 H ASN A 19 -2.821 -0.615 1.351 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.450 -0.389 -1.600 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -3.876 1.351 -0.871 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.097 1.479 0.693 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.962 4.119 -0.411 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.773 3.296 0.925 1.00 0.00 H new ATOM 286 N CYS A 20 -0.061 0.554 -1.545 1.00 0.00 N ATOM 287 CA CYS A 20 1.408 0.788 -1.493 1.00 0.00 C ATOM 288 C CYS A 20 1.673 2.258 -1.164 1.00 0.00 C ATOM 289 O CYS A 20 1.363 3.147 -1.932 1.00 0.00 O ATOM 290 CB CYS A 20 2.031 0.445 -2.853 1.00 0.00 C ATOM 291 SG CYS A 20 3.823 0.630 -2.753 1.00 0.00 S ATOM 0 H CYS A 20 -0.490 0.706 -2.458 1.00 0.00 H new ATOM 0 HA CYS A 20 1.852 0.156 -0.724 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.775 -0.576 -3.136 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.629 1.100 -3.626 1.00 0.00 H new ATOM 296 N VAL A 21 2.252 2.516 -0.024 1.00 0.00 N ATOM 297 CA VAL A 21 2.553 3.923 0.367 1.00 0.00 C ATOM 298 C VAL A 21 4.007 4.204 0.010 1.00 0.00 C ATOM 299 O VAL A 21 4.851 3.344 0.126 1.00 0.00 O ATOM 300 CB VAL A 21 2.304 4.100 1.880 1.00 0.00 C ATOM 301 CG1 VAL A 21 3.602 4.461 2.618 1.00 0.00 C ATOM 302 CG2 VAL A 21 1.277 5.214 2.096 1.00 0.00 C ATOM 0 H VAL A 21 2.531 1.810 0.657 1.00 0.00 H new ATOM 0 HA VAL A 21 1.908 4.626 -0.160 1.00 0.00 H new ATOM 0 HB VAL A 21 1.931 3.157 2.279 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.395 4.579 3.682 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.334 3.666 2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.999 5.395 2.220 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.098 5.342 3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.657 6.146 1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.343 4.949 1.601 1.00 0.00 H new ATOM 312 N TYR A 22 4.308 5.388 -0.442 1.00 0.00 N ATOM 313 CA TYR A 22 5.712 5.695 -0.824 1.00 0.00 C ATOM 314 C TYR A 22 6.369 6.540 0.274 1.00 0.00 C ATOM 315 O TYR A 22 5.850 7.560 0.682 1.00 0.00 O ATOM 316 CB TYR A 22 5.703 6.470 -2.145 1.00 0.00 C ATOM 317 CG TYR A 22 7.012 6.269 -2.860 1.00 0.00 C ATOM 318 CD1 TYR A 22 7.251 5.068 -3.539 1.00 0.00 C ATOM 319 CD2 TYR A 22 7.984 7.274 -2.850 1.00 0.00 C ATOM 320 CE1 TYR A 22 8.461 4.873 -4.209 1.00 0.00 C ATOM 321 CE2 TYR A 22 9.196 7.081 -3.519 1.00 0.00 C ATOM 322 CZ TYR A 22 9.436 5.878 -4.198 1.00 0.00 C ATOM 323 OH TYR A 22 10.631 5.685 -4.860 1.00 0.00 O ATOM 0 H TYR A 22 3.645 6.154 -0.563 1.00 0.00 H new ATOM 0 HA TYR A 22 6.278 4.771 -0.944 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.879 6.129 -2.772 1.00 0.00 H new ATOM 0 HB3 TYR A 22 5.541 7.531 -1.954 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.500 4.292 -3.545 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.798 8.200 -2.325 1.00 0.00 H new ATOM 0 HE1 TYR A 22 8.644 3.948 -4.735 1.00 0.00 H new ATOM 0 HE2 TYR A 22 9.947 7.857 -3.513 1.00 0.00 H new ATOM 0 HH TYR A 22 10.815 6.457 -5.435 1.00 0.00 H new ATOM 333 N ALA A 23 7.507 6.117 0.761 1.00 0.00 N ATOM 334 CA ALA A 23 8.198 6.890 1.834 1.00 0.00 C ATOM 335 C ALA A 23 9.183 7.873 1.197 1.00 0.00 C ATOM 336 O ALA A 23 10.266 7.505 0.790 1.00 0.00 O ATOM 337 CB ALA A 23 8.953 5.923 2.752 1.00 0.00 C ATOM 0 H ALA A 23 7.987 5.269 0.461 1.00 0.00 H new ATOM 0 HA ALA A 23 7.463 7.443 2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.459 6.486 3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.248 5.225 3.203 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.690 5.370 2.170 1.00 0.00 H new ATOM 343 N TRP A 24 8.809 9.121 1.104 1.00 0.00 N ATOM 344 CA TRP A 24 9.707 10.136 0.487 1.00 0.00 C ATOM 345 C TRP A 24 11.136 9.953 0.998 1.00 0.00 C ATOM 346 O TRP A 24 12.091 10.272 0.315 1.00 0.00 O ATOM 347 CB TRP A 24 9.207 11.545 0.835 1.00 0.00 C ATOM 348 CG TRP A 24 9.235 11.769 2.319 1.00 0.00 C ATOM 349 CD1 TRP A 24 8.771 10.904 3.257 1.00 0.00 C ATOM 350 CD2 TRP A 24 9.728 12.931 3.049 1.00 0.00 C ATOM 351 NE1 TRP A 24 8.957 11.461 4.509 1.00 0.00 N ATOM 352 CE2 TRP A 24 9.544 12.708 4.435 1.00 0.00 C ATOM 353 CE3 TRP A 24 10.316 14.145 2.648 1.00 0.00 C ATOM 354 CZ2 TRP A 24 9.929 13.652 5.387 1.00 0.00 C ATOM 355 CZ3 TRP A 24 10.702 15.100 3.604 1.00 0.00 C ATOM 356 CH2 TRP A 24 10.509 14.853 4.971 1.00 0.00 C ATOM 0 H TRP A 24 7.913 9.482 1.432 1.00 0.00 H new ATOM 0 HA TRP A 24 9.700 10.007 -0.595 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.829 12.290 0.338 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.192 11.678 0.462 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.329 9.939 3.058 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.692 11.005 5.382 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.472 14.344 1.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 9.780 13.456 6.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 11.150 16.029 3.284 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.808 15.590 5.701 1.00 0.00 H new ATOM 367 N TYR A 25 11.303 9.422 2.184 1.00 0.00 N ATOM 368 CA TYR A 25 12.682 9.210 2.712 1.00 0.00 C ATOM 369 C TYR A 25 13.063 7.749 2.476 1.00 0.00 C ATOM 370 O TYR A 25 12.228 6.867 2.509 1.00 0.00 O ATOM 371 CB TYR A 25 12.732 9.536 4.217 1.00 0.00 C ATOM 372 CG TYR A 25 12.328 8.333 5.043 1.00 0.00 C ATOM 373 CD1 TYR A 25 10.974 8.077 5.301 1.00 0.00 C ATOM 374 CD2 TYR A 25 13.311 7.480 5.560 1.00 0.00 C ATOM 375 CE1 TYR A 25 10.607 6.967 6.073 1.00 0.00 C ATOM 376 CE2 TYR A 25 12.942 6.370 6.334 1.00 0.00 C ATOM 377 CZ TYR A 25 11.590 6.115 6.591 1.00 0.00 C ATOM 378 OH TYR A 25 11.224 5.025 7.356 1.00 0.00 O ATOM 0 H TYR A 25 10.548 9.129 2.804 1.00 0.00 H new ATOM 0 HA TYR A 25 13.384 9.868 2.200 1.00 0.00 H new ATOM 0 HB2 TYR A 25 13.739 9.850 4.492 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.067 10.372 4.435 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.215 8.735 4.905 1.00 0.00 H new ATOM 0 HD2 TYR A 25 14.354 7.677 5.363 1.00 0.00 H new ATOM 0 HE1 TYR A 25 9.564 6.768 6.269 1.00 0.00 H new ATOM 0 HE2 TYR A 25 13.701 5.712 6.732 1.00 0.00 H new ATOM 0 HH TYR A 25 12.027 4.537 7.636 1.00 0.00 H new ATOM 388 N ASN A 26 14.311 7.490 2.219 1.00 0.00 N ATOM 389 CA ASN A 26 14.751 6.087 1.957 1.00 0.00 C ATOM 390 C ASN A 26 14.021 5.548 0.720 1.00 0.00 C ATOM 391 O ASN A 26 14.272 4.444 0.278 1.00 0.00 O ATOM 392 CB ASN A 26 14.426 5.195 3.167 1.00 0.00 C ATOM 393 CG ASN A 26 15.692 4.953 3.992 1.00 0.00 C ATOM 394 OD1 ASN A 26 15.904 5.594 5.002 1.00 0.00 O ATOM 395 ND2 ASN A 26 16.544 4.044 3.602 1.00 0.00 N ATOM 0 H ASN A 26 15.052 8.190 2.178 1.00 0.00 H new ATOM 0 HA ASN A 26 15.827 6.078 1.786 1.00 0.00 H new ATOM 0 HB2 ASN A 26 13.664 5.670 3.785 1.00 0.00 H new ATOM 0 HB3 ASN A 26 14.015 4.244 2.829 1.00 0.00 H new ATOM 0 HD21 ASN A 26 17.390 3.871 4.146 1.00 0.00 H new ATOM 0 HD22 ASN A 26 16.364 3.507 2.754 1.00 0.00 H new ATOM 402 N GLN A 27 13.126 6.316 0.155 1.00 0.00 N ATOM 403 CA GLN A 27 12.391 5.836 -1.051 1.00 0.00 C ATOM 404 C GLN A 27 11.928 4.392 -0.813 1.00 0.00 C ATOM 405 O GLN A 27 12.155 3.510 -1.618 1.00 0.00 O ATOM 406 CB GLN A 27 13.333 5.909 -2.266 1.00 0.00 C ATOM 407 CG GLN A 27 12.983 7.133 -3.120 1.00 0.00 C ATOM 408 CD GLN A 27 13.033 8.398 -2.258 1.00 0.00 C ATOM 409 OE1 GLN A 27 14.043 8.695 -1.653 1.00 0.00 O ATOM 410 NE2 GLN A 27 11.974 9.158 -2.174 1.00 0.00 N ATOM 0 H GLN A 27 12.874 7.251 0.475 1.00 0.00 H new ATOM 0 HA GLN A 27 11.516 6.458 -1.241 1.00 0.00 H new ATOM 0 HB2 GLN A 27 14.369 5.971 -1.932 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.244 5.001 -2.862 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.683 7.220 -3.951 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.989 7.015 -3.551 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.126 8.908 -2.682 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.995 10.001 -1.600 1.00 0.00 H new ATOM 419 N GLN A 28 11.278 4.150 0.297 1.00 0.00 N ATOM 420 CA GLN A 28 10.791 2.775 0.613 1.00 0.00 C ATOM 421 C GLN A 28 9.265 2.800 0.655 1.00 0.00 C ATOM 422 O GLN A 28 8.671 3.677 1.247 1.00 0.00 O ATOM 423 CB GLN A 28 11.346 2.354 1.982 1.00 0.00 C ATOM 424 CG GLN A 28 11.889 0.925 1.921 1.00 0.00 C ATOM 425 CD GLN A 28 13.143 0.887 1.043 1.00 0.00 C ATOM 426 OE1 GLN A 28 13.585 1.993 0.506 1.00 0.00 O flip ATOM 427 NE2 GLN A 28 13.727 -0.159 0.847 1.00 0.00 N flip ATOM 0 H GLN A 28 11.063 4.853 1.004 1.00 0.00 H new ATOM 0 HA GLN A 28 11.125 2.065 -0.144 1.00 0.00 H new ATOM 0 HB2 GLN A 28 12.138 3.038 2.286 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.561 2.420 2.736 1.00 0.00 H new ATOM 0 HG2 GLN A 28 12.125 0.572 2.925 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.130 0.254 1.518 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.382 -1.022 1.266 1.00 0.00 H new ATOM 0 HE22 GLN A 28 14.563 -0.175 0.263 1.00 0.00 H new ATOM 436 N SER A 29 8.619 1.865 0.016 1.00 0.00 N ATOM 437 CA SER A 29 7.132 1.869 0.010 1.00 0.00 C ATOM 438 C SER A 29 6.578 0.945 1.099 1.00 0.00 C ATOM 439 O SER A 29 6.887 -0.224 1.146 1.00 0.00 O ATOM 440 CB SER A 29 6.635 1.401 -1.351 1.00 0.00 C ATOM 441 OG SER A 29 7.297 2.133 -2.375 1.00 0.00 O ATOM 0 H SER A 29 9.056 1.101 -0.500 1.00 0.00 H new ATOM 0 HA SER A 29 6.786 2.883 0.209 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.824 0.334 -1.472 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.557 1.545 -1.425 1.00 0.00 H new ATOM 0 HG SER A 29 7.099 3.088 -2.275 1.00 0.00 H new ATOM 447 N SER A 30 5.747 1.464 1.968 1.00 0.00 N ATOM 448 CA SER A 30 5.162 0.637 3.048 1.00 0.00 C ATOM 449 C SER A 30 3.695 0.329 2.729 1.00 0.00 C ATOM 450 O SER A 30 2.882 1.222 2.629 1.00 0.00 O ATOM 451 CB SER A 30 5.232 1.411 4.369 1.00 0.00 C ATOM 452 OG SER A 30 3.988 2.066 4.597 1.00 0.00 O ATOM 0 H SER A 30 5.450 2.440 1.968 1.00 0.00 H new ATOM 0 HA SER A 30 5.720 -0.296 3.130 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.454 0.731 5.191 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.040 2.142 4.333 1.00 0.00 H new ATOM 0 HG SER A 30 3.522 2.189 3.744 1.00 0.00 H new ATOM 458 N CYS A 31 3.338 -0.919 2.580 1.00 0.00 N ATOM 459 CA CYS A 31 1.911 -1.230 2.282 1.00 0.00 C ATOM 460 C CYS A 31 1.055 -0.835 3.487 1.00 0.00 C ATOM 461 O CYS A 31 1.462 -0.992 4.622 1.00 0.00 O ATOM 462 CB CYS A 31 1.734 -2.724 2.015 1.00 0.00 C ATOM 463 SG CYS A 31 2.644 -3.219 0.527 1.00 0.00 S ATOM 0 H CYS A 31 3.961 -1.724 2.650 1.00 0.00 H new ATOM 0 HA CYS A 31 1.604 -0.673 1.397 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.089 -3.297 2.872 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.676 -2.954 1.894 1.00 0.00 H new ATOM 468 N GLU A 32 -0.129 -0.322 3.260 1.00 0.00 N ATOM 469 CA GLU A 32 -0.997 0.078 4.409 1.00 0.00 C ATOM 470 C GLU A 32 -2.473 -0.241 4.108 1.00 0.00 C ATOM 471 O GLU A 32 -2.958 -0.056 3.010 1.00 0.00 O ATOM 472 CB GLU A 32 -0.801 1.578 4.696 1.00 0.00 C ATOM 473 CG GLU A 32 -1.900 2.408 4.031 1.00 0.00 C ATOM 474 CD GLU A 32 -1.982 3.782 4.700 1.00 0.00 C ATOM 475 OE1 GLU A 32 -1.283 4.678 4.260 1.00 0.00 O ATOM 476 OE2 GLU A 32 -2.747 3.912 5.643 1.00 0.00 O ATOM 0 H GLU A 32 -0.529 -0.164 2.335 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.712 -0.490 5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.810 1.751 5.772 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.174 1.898 4.330 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.690 2.522 2.967 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.858 1.894 4.114 1.00 0.00 H new ATOM 483 N ARG A 33 -3.174 -0.724 5.099 1.00 0.00 N ATOM 484 CA ARG A 33 -4.620 -1.073 4.947 1.00 0.00 C ATOM 485 C ARG A 33 -5.486 0.162 4.640 1.00 0.00 C ATOM 486 O ARG A 33 -6.396 0.486 5.376 1.00 0.00 O ATOM 487 CB ARG A 33 -5.099 -1.737 6.247 1.00 0.00 C ATOM 488 CG ARG A 33 -5.371 -0.708 7.374 1.00 0.00 C ATOM 489 CD ARG A 33 -4.476 0.547 7.250 1.00 0.00 C ATOM 490 NE ARG A 33 -3.871 0.863 8.577 1.00 0.00 N ATOM 491 CZ ARG A 33 -4.297 1.876 9.290 1.00 0.00 C ATOM 492 NH1 ARG A 33 -5.294 2.609 8.873 1.00 0.00 N ATOM 493 NH2 ARG A 33 -3.729 2.148 10.433 1.00 0.00 N ATOM 0 H ARG A 33 -2.796 -0.896 6.031 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.725 -1.754 4.102 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.009 -2.302 6.048 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.348 -2.451 6.585 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.419 -0.409 7.345 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.201 -1.179 8.342 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.692 0.375 6.513 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.066 1.393 6.897 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.114 0.281 8.935 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.748 2.395 7.985 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.619 3.396 9.435 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.956 1.573 10.768 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.058 2.936 10.991 1.00 0.00 H new ATOM 507 N LYS A 34 -5.241 0.846 3.561 1.00 0.00 N ATOM 508 CA LYS A 34 -6.076 2.040 3.239 1.00 0.00 C ATOM 509 C LYS A 34 -7.564 1.668 3.214 1.00 0.00 C ATOM 510 O LYS A 34 -8.410 2.512 2.997 1.00 0.00 O ATOM 511 CB LYS A 34 -5.685 2.597 1.862 1.00 0.00 C ATOM 512 CG LYS A 34 -4.983 3.955 2.009 1.00 0.00 C ATOM 513 CD LYS A 34 -6.039 5.068 2.129 1.00 0.00 C ATOM 514 CE LYS A 34 -6.298 5.689 0.751 1.00 0.00 C ATOM 515 NZ LYS A 34 -6.824 4.645 -0.175 1.00 0.00 N ATOM 0 H LYS A 34 -4.503 0.634 2.889 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.904 2.792 4.009 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.026 1.894 1.353 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.575 2.706 1.242 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.341 3.951 2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.341 4.140 1.148 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.965 4.661 2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.696 5.834 2.825 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.013 6.507 0.838 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.376 6.113 0.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.142 5.093 -1.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.072 3.958 -0.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.625 4.155 0.273 1.00 0.00 H new