USER MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 262 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 8 THR OG1 : rot 180:sc= -0.214 USER MOD Set 1.2: A 9 THR OG1 : rot 22:sc= 0.255 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.0279 X(o=-0.028,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.359 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= -0.0286 (180deg=-0.309) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 21 HIS : no HE2:sc= -1.9 K(o=-1.9,f=-2.6!) USER MOD Single : A 22 ASN : amide:sc= -1.31 K(o=-1.3,f=-0.095) USER MOD Single : A 23 THR OG1 : rot -120:sc= -0.411 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 2 2.889 3.906 -0.074 1.00 20.00 N ATOM 16 CA PHE A 2 3.566 4.591 -1.213 1.00 20.00 C ATOM 17 C PHE A 2 4.486 3.736 -2.077 1.00 20.00 C ATOM 18 O PHE A 2 5.085 2.770 -1.649 1.00 20.00 O ATOM 19 CB PHE A 2 4.403 5.744 -0.692 1.00 20.00 C ATOM 20 CG PHE A 2 3.629 7.054 -0.512 1.00 20.00 C ATOM 21 CD1 PHE A 2 2.247 7.164 -0.561 1.00 20.00 C ATOM 22 CD2 PHE A 2 4.380 8.193 -0.292 1.00 20.00 C ATOM 23 CE1 PHE A 2 1.645 8.397 -0.392 1.00 20.00 C ATOM 24 CE2 PHE A 2 3.776 9.417 -0.124 1.00 20.00 C ATOM 25 CZ PHE A 2 2.408 9.523 -0.173 1.00 20.00 C ATOM 0 HA PHE A 2 2.738 4.898 -1.851 1.00 20.00 H new ATOM 0 HB2 PHE A 2 4.838 5.458 0.266 1.00 20.00 H new ATOM 0 HB3 PHE A 2 5.231 5.916 -1.380 1.00 20.00 H new ATOM 0 HD1 PHE A 2 1.641 6.286 -0.731 1.00 20.00 H new ATOM 0 HD2 PHE A 2 5.457 8.121 -0.251 1.00 20.00 H new ATOM 0 HE1 PHE A 2 0.569 8.478 -0.432 1.00 20.00 H new ATOM 0 HE2 PHE A 2 4.379 10.297 0.047 1.00 20.00 H new ATOM 0 HZ PHE A 2 1.933 10.484 -0.041 1.00 20.00 H new ATOM 35 N THR A 3 4.540 4.166 -3.306 1.00 20.00 N ATOM 36 CA THR A 3 5.379 3.511 -4.341 1.00 20.00 C ATOM 37 C THR A 3 6.052 4.717 -4.997 1.00 20.00 C ATOM 38 O THR A 3 5.468 5.782 -5.043 1.00 20.00 O ATOM 39 CB THR A 3 4.474 2.753 -5.327 1.00 20.00 C ATOM 40 OG1 THR A 3 3.484 3.701 -5.697 1.00 20.00 O ATOM 41 CG2 THR A 3 3.712 1.616 -4.616 1.00 20.00 C ATOM 0 H THR A 3 4.017 4.974 -3.644 1.00 20.00 H new ATOM 0 HA THR A 3 6.091 2.775 -3.969 1.00 20.00 H new ATOM 0 HB THR A 3 5.062 2.340 -6.147 1.00 20.00 H new ATOM 0 HG1 THR A 3 2.861 3.292 -6.333 1.00 20.00 H new ATOM 0 HG21 THR A 3 3.080 1.096 -5.336 1.00 20.00 H new ATOM 0 HG22 THR A 3 4.426 0.913 -4.186 1.00 20.00 H new ATOM 0 HG23 THR A 3 3.092 2.034 -3.823 1.00 20.00 H new ATOM 49 N ASN A 4 7.248 4.554 -5.490 1.00 20.00 N ATOM 50 CA ASN A 4 7.920 5.726 -6.128 1.00 20.00 C ATOM 51 C ASN A 4 7.448 5.936 -7.567 1.00 20.00 C ATOM 52 O ASN A 4 8.093 6.611 -8.344 1.00 20.00 O ATOM 53 CB ASN A 4 9.421 5.485 -6.100 1.00 20.00 C ATOM 54 CG ASN A 4 9.824 5.280 -4.640 1.00 20.00 C ATOM 55 OD1 ASN A 4 10.071 6.220 -3.911 1.00 20.00 O ATOM 56 ND2 ASN A 4 9.901 4.064 -4.178 1.00 20.00 N ATOM 0 H ASN A 4 7.781 3.684 -5.482 1.00 20.00 H new ATOM 0 HA ASN A 4 7.664 6.628 -5.573 1.00 20.00 H new ATOM 0 HB2 ASN A 4 9.680 4.610 -6.696 1.00 20.00 H new ATOM 0 HB3 ASN A 4 9.954 6.333 -6.530 1.00 20.00 H new ATOM 0 HD21 ASN A 4 10.168 3.903 -3.207 1.00 20.00 H new ATOM 0 HD22 ASN A 4 9.694 3.273 -4.788 1.00 20.00 H new ATOM 63 N VAL A 5 6.325 5.353 -7.882 1.00 20.00 N ATOM 64 CA VAL A 5 5.772 5.484 -9.256 1.00 20.00 C ATOM 65 C VAL A 5 4.847 6.686 -9.477 1.00 20.00 C ATOM 66 O VAL A 5 3.863 6.815 -8.784 1.00 20.00 O ATOM 67 CB VAL A 5 5.037 4.165 -9.553 1.00 20.00 C ATOM 68 CG1 VAL A 5 4.302 4.213 -10.888 1.00 20.00 C ATOM 69 CG2 VAL A 5 6.036 3.008 -9.581 1.00 20.00 C ATOM 0 H VAL A 5 5.765 4.789 -7.243 1.00 20.00 H new ATOM 0 HA VAL A 5 6.599 5.672 -9.941 1.00 20.00 H new ATOM 0 HB VAL A 5 4.303 4.016 -8.761 1.00 20.00 H new ATOM 0 HG11 VAL A 5 3.797 3.263 -11.059 1.00 20.00 H new ATOM 0 HG12 VAL A 5 3.566 5.017 -10.870 1.00 20.00 H new ATOM 0 HG13 VAL A 5 5.017 4.394 -11.691 1.00 20.00 H new ATOM 0 HG21 VAL A 5 5.509 2.077 -9.792 1.00 20.00 H new ATOM 0 HG22 VAL A 5 6.779 3.188 -10.358 1.00 20.00 H new ATOM 0 HG23 VAL A 5 6.533 2.933 -8.614 1.00 20.00 H new ATOM 79 N SER A 6 5.152 7.550 -10.418 1.00 20.00 N ATOM 80 CA SER A 6 4.243 8.713 -10.633 1.00 20.00 C ATOM 81 C SER A 6 3.158 8.240 -11.592 1.00 20.00 C ATOM 82 O SER A 6 3.101 7.071 -11.917 1.00 20.00 O ATOM 83 CB SER A 6 5.012 9.879 -11.257 1.00 20.00 C ATOM 84 OG SER A 6 6.063 10.108 -10.329 1.00 20.00 O ATOM 0 H SER A 6 5.968 7.501 -11.029 1.00 20.00 H new ATOM 0 HA SER A 6 3.821 9.059 -9.690 1.00 20.00 H new ATOM 0 HB2 SER A 6 5.396 9.626 -12.245 1.00 20.00 H new ATOM 0 HB3 SER A 6 4.381 10.760 -11.376 1.00 20.00 H new ATOM 0 HG SER A 6 6.623 10.848 -10.645 1.00 20.00 H new ATOM 90 N CYS A 7 2.315 9.129 -12.036 1.00 20.00 N ATOM 91 CA CYS A 7 1.260 8.649 -12.972 1.00 20.00 C ATOM 92 C CYS A 7 0.694 9.754 -13.860 1.00 20.00 C ATOM 93 O CYS A 7 1.121 10.890 -13.863 1.00 20.00 O ATOM 94 CB CYS A 7 0.105 8.074 -12.191 1.00 20.00 C ATOM 95 SG CYS A 7 -0.902 9.347 -11.389 1.00 20.00 S ATOM 0 H CYS A 7 2.306 10.123 -11.806 1.00 20.00 H new ATOM 0 HA CYS A 7 1.741 7.903 -13.605 1.00 20.00 H new ATOM 0 HB2 CYS A 7 -0.524 7.488 -12.860 1.00 20.00 H new ATOM 0 HB3 CYS A 7 0.489 7.390 -11.434 1.00 20.00 H new ATOM 100 N THR A 8 -0.284 9.301 -14.590 1.00 20.00 N ATOM 101 CA THR A 8 -1.049 10.136 -15.555 1.00 20.00 C ATOM 102 C THR A 8 -2.511 9.686 -15.405 1.00 20.00 C ATOM 103 O THR A 8 -3.415 10.497 -15.385 1.00 20.00 O ATOM 104 CB THR A 8 -0.540 9.875 -16.984 1.00 20.00 C ATOM 105 OG1 THR A 8 -0.645 8.470 -17.155 1.00 20.00 O ATOM 106 CG2 THR A 8 0.962 10.179 -17.102 1.00 20.00 C ATOM 0 H THR A 8 -0.600 8.332 -14.553 1.00 20.00 H new ATOM 0 HA THR A 8 -0.938 11.204 -15.365 1.00 20.00 H new ATOM 0 HB THR A 8 -1.098 10.482 -17.697 1.00 20.00 H new ATOM 0 HG1 THR A 8 -0.337 8.226 -18.053 1.00 20.00 H new ATOM 0 HG21 THR A 8 1.293 9.985 -18.122 1.00 20.00 H new ATOM 0 HG22 THR A 8 1.142 11.225 -16.854 1.00 20.00 H new ATOM 0 HG23 THR A 8 1.517 9.542 -16.413 1.00 20.00 H new ATOM 114 N THR A 9 -2.698 8.393 -15.303 1.00 20.00 N ATOM 115 CA THR A 9 -4.066 7.812 -15.144 1.00 20.00 C ATOM 116 C THR A 9 -3.987 6.695 -14.083 1.00 20.00 C ATOM 117 O THR A 9 -3.051 5.922 -14.063 1.00 20.00 O ATOM 118 CB THR A 9 -4.526 7.230 -16.486 1.00 20.00 C ATOM 119 OG1 THR A 9 -3.513 6.294 -16.827 1.00 20.00 O ATOM 120 CG2 THR A 9 -4.468 8.272 -17.616 1.00 20.00 C ATOM 0 H THR A 9 -1.946 7.704 -15.324 1.00 20.00 H new ATOM 0 HA THR A 9 -4.778 8.576 -14.830 1.00 20.00 H new ATOM 0 HB THR A 9 -5.541 6.845 -16.390 1.00 20.00 H new ATOM 0 HG1 THR A 9 -3.032 6.023 -16.017 1.00 20.00 H new ATOM 0 HG21 THR A 9 -4.802 7.817 -18.548 1.00 20.00 H new ATOM 0 HG22 THR A 9 -5.117 9.113 -17.370 1.00 20.00 H new ATOM 0 HG23 THR A 9 -3.444 8.626 -17.732 1.00 20.00 H new ATOM 128 N SER A 10 -4.968 6.620 -13.221 1.00 20.00 N ATOM 129 CA SER A 10 -4.969 5.564 -12.150 1.00 20.00 C ATOM 130 C SER A 10 -4.823 4.130 -12.690 1.00 20.00 C ATOM 131 O SER A 10 -4.484 3.215 -11.963 1.00 20.00 O ATOM 132 CB SER A 10 -6.273 5.669 -11.369 1.00 20.00 C ATOM 133 OG SER A 10 -7.258 5.436 -12.365 1.00 20.00 O ATOM 0 H SER A 10 -5.774 7.245 -13.208 1.00 20.00 H new ATOM 0 HA SER A 10 -4.099 5.748 -11.520 1.00 20.00 H new ATOM 0 HB2 SER A 10 -6.325 4.931 -10.569 1.00 20.00 H new ATOM 0 HB3 SER A 10 -6.390 6.649 -10.907 1.00 20.00 H new ATOM 0 HG SER A 10 -8.149 5.481 -11.960 1.00 20.00 H new ATOM 139 N LYS A 11 -5.085 3.976 -13.960 1.00 20.00 N ATOM 140 CA LYS A 11 -4.979 2.634 -14.604 1.00 20.00 C ATOM 141 C LYS A 11 -3.592 2.041 -14.286 1.00 20.00 C ATOM 142 O LYS A 11 -3.415 0.848 -14.122 1.00 20.00 O ATOM 143 CB LYS A 11 -5.163 2.836 -16.109 1.00 20.00 C ATOM 144 CG LYS A 11 -5.731 1.586 -16.787 1.00 20.00 C ATOM 145 CD LYS A 11 -5.742 1.863 -18.301 1.00 20.00 C ATOM 146 CE LYS A 11 -6.560 0.793 -19.034 1.00 20.00 C ATOM 147 NZ LYS A 11 -8.008 0.953 -18.711 1.00 20.00 N ATOM 0 H LYS A 11 -5.371 4.730 -14.585 1.00 20.00 H new ATOM 0 HA LYS A 11 -5.736 1.943 -14.234 1.00 20.00 H new ATOM 0 HB2 LYS A 11 -5.832 3.679 -16.283 1.00 20.00 H new ATOM 0 HB3 LYS A 11 -4.204 3.091 -16.561 1.00 20.00 H new ATOM 0 HG2 LYS A 11 -5.121 0.712 -16.559 1.00 20.00 H new ATOM 0 HG3 LYS A 11 -6.738 1.375 -16.426 1.00 20.00 H new ATOM 0 HD2 LYS A 11 -6.165 2.849 -18.494 1.00 20.00 H new ATOM 0 HD3 LYS A 11 -4.721 1.874 -18.683 1.00 20.00 H new ATOM 0 HE2 LYS A 11 -6.407 0.879 -20.110 1.00 20.00 H new ATOM 0 HE3 LYS A 11 -6.221 -0.201 -18.742 1.00 20.00 H new ATOM 0 HZ1 LYS A 11 -8.580 0.463 -19.428 1.00 20.00 H new ATOM 0 HZ2 LYS A 11 -8.202 0.544 -17.775 1.00 20.00 H new ATOM 0 HZ3 LYS A 11 -8.253 1.964 -18.704 1.00 20.00 H new ATOM 161 N GLU A 12 -2.637 2.925 -14.195 1.00 20.00 N ATOM 162 CA GLU A 12 -1.239 2.521 -13.899 1.00 20.00 C ATOM 163 C GLU A 12 -1.061 1.980 -12.489 1.00 20.00 C ATOM 164 O GLU A 12 -0.490 0.926 -12.285 1.00 20.00 O ATOM 165 CB GLU A 12 -0.371 3.760 -14.129 1.00 20.00 C ATOM 166 CG GLU A 12 1.095 3.501 -13.785 1.00 20.00 C ATOM 167 CD GLU A 12 1.622 2.404 -14.709 1.00 20.00 C ATOM 168 OE1 GLU A 12 1.766 2.718 -15.879 1.00 20.00 O ATOM 169 OE2 GLU A 12 1.845 1.323 -14.192 1.00 20.00 O ATOM 0 H GLU A 12 -2.772 3.929 -14.316 1.00 20.00 H new ATOM 0 HA GLU A 12 -0.948 1.699 -14.553 1.00 20.00 H new ATOM 0 HB2 GLU A 12 -0.450 4.070 -15.171 1.00 20.00 H new ATOM 0 HB3 GLU A 12 -0.746 4.584 -13.522 1.00 20.00 H new ATOM 0 HG2 GLU A 12 1.680 4.413 -13.907 1.00 20.00 H new ATOM 0 HG3 GLU A 12 1.192 3.197 -12.743 1.00 20.00 H new ATOM 176 N CYS A 13 -1.568 2.727 -11.552 1.00 20.00 N ATOM 177 CA CYS A 13 -1.440 2.287 -10.139 1.00 20.00 C ATOM 178 C CYS A 13 -1.897 0.862 -9.904 1.00 20.00 C ATOM 179 O CYS A 13 -1.265 0.128 -9.178 1.00 20.00 O ATOM 180 CB CYS A 13 -2.268 3.139 -9.230 1.00 20.00 C ATOM 181 SG CYS A 13 -1.772 4.824 -8.878 1.00 20.00 S ATOM 0 H CYS A 13 -2.058 3.609 -11.699 1.00 20.00 H new ATOM 0 HA CYS A 13 -0.374 2.372 -9.926 1.00 20.00 H new ATOM 0 HB2 CYS A 13 -3.273 3.179 -9.650 1.00 20.00 H new ATOM 0 HB3 CYS A 13 -2.342 2.617 -8.276 1.00 20.00 H new ATOM 186 N TRP A 14 -2.978 0.512 -10.533 1.00 20.00 N ATOM 187 CA TRP A 14 -3.496 -0.871 -10.346 1.00 20.00 C ATOM 188 C TRP A 14 -2.452 -1.936 -10.681 1.00 20.00 C ATOM 189 O TRP A 14 -2.079 -2.698 -9.811 1.00 20.00 O ATOM 190 CB TRP A 14 -4.752 -1.010 -11.215 1.00 20.00 C ATOM 191 CG TRP A 14 -5.887 -0.293 -10.461 1.00 20.00 C ATOM 192 CD1 TRP A 14 -5.785 0.918 -9.843 1.00 20.00 C ATOM 193 CD2 TRP A 14 -7.144 -0.761 -10.291 1.00 20.00 C ATOM 194 NE1 TRP A 14 -6.985 1.100 -9.339 1.00 20.00 N ATOM 195 CE2 TRP A 14 -7.876 0.147 -9.554 1.00 20.00 C ATOM 196 CE3 TRP A 14 -7.748 -1.927 -10.719 1.00 20.00 C ATOM 197 CZ2 TRP A 14 -9.195 -0.099 -9.242 1.00 20.00 C ATOM 198 CZ3 TRP A 14 -9.071 -2.179 -10.410 1.00 20.00 C ATOM 199 CH2 TRP A 14 -9.794 -1.264 -9.670 1.00 20.00 C ATOM 0 H TRP A 14 -3.519 1.109 -11.158 1.00 20.00 H new ATOM 0 HA TRP A 14 -3.740 -1.034 -9.296 1.00 20.00 H new ATOM 0 HB2 TRP A 14 -4.596 -0.563 -12.197 1.00 20.00 H new ATOM 0 HB3 TRP A 14 -4.997 -2.060 -11.378 1.00 20.00 H new ATOM 0 HD1 TRP A 14 -4.926 1.570 -9.782 1.00 20.00 H new ATOM 0 HE1 TRP A 14 -7.218 1.938 -8.806 1.00 20.00 H new ATOM 0 HE3 TRP A 14 -7.184 -2.644 -11.297 1.00 20.00 H new ATOM 0 HZ2 TRP A 14 -9.758 0.619 -8.664 1.00 20.00 H new ATOM 0 HZ3 TRP A 14 -9.540 -3.092 -10.747 1.00 20.00 H new ATOM 0 HH2 TRP A 14 -10.828 -1.461 -9.427 1.00 20.00 H new ATOM 210 N SER A 15 -1.993 -1.978 -11.900 1.00 20.00 N ATOM 211 CA SER A 15 -0.970 -3.015 -12.243 1.00 20.00 C ATOM 212 C SER A 15 0.183 -3.008 -11.226 1.00 20.00 C ATOM 213 O SER A 15 0.545 -4.029 -10.673 1.00 20.00 O ATOM 214 CB SER A 15 -0.423 -2.730 -13.634 1.00 20.00 C ATOM 215 OG SER A 15 -1.577 -2.802 -14.455 1.00 20.00 O ATOM 0 H SER A 15 -2.271 -1.357 -12.660 1.00 20.00 H new ATOM 0 HA SER A 15 -1.443 -3.997 -12.217 1.00 20.00 H new ATOM 0 HB2 SER A 15 0.049 -1.749 -13.688 1.00 20.00 H new ATOM 0 HB3 SER A 15 0.328 -3.462 -13.930 1.00 20.00 H new ATOM 0 HG SER A 15 -1.327 -2.628 -15.387 1.00 20.00 H new ATOM 221 N VAL A 16 0.720 -1.842 -10.998 1.00 20.00 N ATOM 222 CA VAL A 16 1.852 -1.717 -10.031 1.00 20.00 C ATOM 223 C VAL A 16 1.539 -2.318 -8.662 1.00 20.00 C ATOM 224 O VAL A 16 2.196 -3.240 -8.220 1.00 20.00 O ATOM 225 CB VAL A 16 2.182 -0.238 -9.867 1.00 20.00 C ATOM 226 CG1 VAL A 16 3.327 -0.064 -8.856 1.00 20.00 C ATOM 227 CG2 VAL A 16 2.623 0.319 -11.212 1.00 20.00 C ATOM 0 H VAL A 16 0.426 -0.970 -11.438 1.00 20.00 H new ATOM 0 HA VAL A 16 2.697 -2.275 -10.435 1.00 20.00 H new ATOM 0 HB VAL A 16 1.300 0.291 -9.507 1.00 20.00 H new ATOM 0 HG11 VAL A 16 3.556 0.996 -8.745 1.00 20.00 H new ATOM 0 HG12 VAL A 16 3.026 -0.473 -7.892 1.00 20.00 H new ATOM 0 HG13 VAL A 16 4.211 -0.591 -9.214 1.00 20.00 H new ATOM 0 HG21 VAL A 16 2.862 1.377 -11.107 1.00 20.00 H new ATOM 0 HG22 VAL A 16 3.505 -0.220 -11.557 1.00 20.00 H new ATOM 0 HG23 VAL A 16 1.818 0.199 -11.937 1.00 20.00 H new ATOM 237 N CYS A 17 0.535 -1.778 -8.031 1.00 20.00 N ATOM 238 CA CYS A 17 0.144 -2.278 -6.691 1.00 20.00 C ATOM 239 C CYS A 17 -0.041 -3.783 -6.658 1.00 20.00 C ATOM 240 O CYS A 17 0.440 -4.419 -5.751 1.00 20.00 O ATOM 241 CB CYS A 17 -1.143 -1.585 -6.279 1.00 20.00 C ATOM 242 SG CYS A 17 -0.993 0.193 -5.984 1.00 20.00 S ATOM 0 H CYS A 17 -0.032 -1.009 -8.389 1.00 20.00 H new ATOM 0 HA CYS A 17 0.950 -2.051 -5.993 1.00 20.00 H new ATOM 0 HB2 CYS A 17 -1.890 -1.747 -7.056 1.00 20.00 H new ATOM 0 HB3 CYS A 17 -1.518 -2.058 -5.372 1.00 20.00 H new ATOM 247 N GLN A 18 -0.718 -4.328 -7.628 1.00 20.00 N ATOM 248 CA GLN A 18 -0.919 -5.802 -7.632 1.00 20.00 C ATOM 249 C GLN A 18 0.421 -6.561 -7.668 1.00 20.00 C ATOM 250 O GLN A 18 0.658 -7.425 -6.847 1.00 20.00 O ATOM 251 CB GLN A 18 -1.782 -6.131 -8.845 1.00 20.00 C ATOM 252 CG GLN A 18 -3.159 -5.479 -8.619 1.00 20.00 C ATOM 253 CD GLN A 18 -4.017 -5.661 -9.871 1.00 20.00 C ATOM 254 OE1 GLN A 18 -4.415 -4.705 -10.510 1.00 20.00 O ATOM 255 NE2 GLN A 18 -4.323 -6.870 -10.250 1.00 20.00 N ATOM 0 H GLN A 18 -1.137 -3.824 -8.410 1.00 20.00 H new ATOM 0 HA GLN A 18 -1.413 -6.120 -6.714 1.00 20.00 H new ATOM 0 HB2 GLN A 18 -1.322 -5.751 -9.758 1.00 20.00 H new ATOM 0 HB3 GLN A 18 -1.883 -7.210 -8.964 1.00 20.00 H new ATOM 0 HG2 GLN A 18 -3.651 -5.931 -7.758 1.00 20.00 H new ATOM 0 HG3 GLN A 18 -3.040 -4.419 -8.397 1.00 20.00 H new ATOM 0 HE21 GLN A 18 -3.990 -7.672 -9.715 1.00 20.00 H new ATOM 0 HE22 GLN A 18 -4.896 -7.014 -11.082 1.00 20.00 H new ATOM 264 N ARG A 19 1.262 -6.224 -8.610 1.00 20.00 N ATOM 265 CA ARG A 19 2.589 -6.907 -8.713 1.00 20.00 C ATOM 266 C ARG A 19 3.385 -6.839 -7.396 1.00 20.00 C ATOM 267 O ARG A 19 3.829 -7.838 -6.866 1.00 20.00 O ATOM 268 CB ARG A 19 3.418 -6.233 -9.812 1.00 20.00 C ATOM 269 CG ARG A 19 3.338 -6.932 -11.190 1.00 20.00 C ATOM 270 CD ARG A 19 1.889 -7.096 -11.686 1.00 20.00 C ATOM 271 NE ARG A 19 1.918 -7.304 -13.170 1.00 20.00 N ATOM 272 CZ ARG A 19 2.411 -8.384 -13.719 1.00 20.00 C ATOM 273 NH1 ARG A 19 2.904 -9.339 -12.979 1.00 20.00 N ATOM 274 NH2 ARG A 19 2.395 -8.476 -15.023 1.00 20.00 N ATOM 0 H ARG A 19 1.089 -5.506 -9.313 1.00 20.00 H new ATOM 0 HA ARG A 19 2.399 -7.955 -8.944 1.00 20.00 H new ATOM 0 HB2 ARG A 19 3.084 -5.201 -9.921 1.00 20.00 H new ATOM 0 HB3 ARG A 19 4.460 -6.199 -9.495 1.00 20.00 H new ATOM 0 HG2 ARG A 19 3.905 -6.354 -11.920 1.00 20.00 H new ATOM 0 HG3 ARG A 19 3.809 -7.913 -11.124 1.00 20.00 H new ATOM 0 HD2 ARG A 19 1.413 -7.944 -11.193 1.00 20.00 H new ATOM 0 HD3 ARG A 19 1.301 -6.212 -11.438 1.00 20.00 H new ATOM 0 HE ARG A 19 1.539 -6.576 -13.775 1.00 20.00 H new ATOM 0 HH11 ARG A 19 2.907 -9.247 -11.963 1.00 20.00 H new ATOM 0 HH12 ARG A 19 3.286 -10.177 -13.416 1.00 20.00 H new ATOM 0 HH21 ARG A 19 2.005 -7.718 -15.583 1.00 20.00 H new ATOM 0 HH22 ARG A 19 2.772 -9.306 -15.480 1.00 20.00 H new ATOM 288 N LEU A 20 3.532 -5.636 -6.911 1.00 20.00 N ATOM 289 CA LEU A 20 4.287 -5.399 -5.643 1.00 20.00 C ATOM 290 C LEU A 20 3.641 -5.902 -4.354 1.00 20.00 C ATOM 291 O LEU A 20 4.242 -6.647 -3.605 1.00 20.00 O ATOM 292 CB LEU A 20 4.531 -3.892 -5.486 1.00 20.00 C ATOM 293 CG LEU A 20 5.763 -3.405 -6.278 1.00 20.00 C ATOM 294 CD1 LEU A 20 5.624 -3.706 -7.772 1.00 20.00 C ATOM 295 CD2 LEU A 20 5.874 -1.881 -6.117 1.00 20.00 C ATOM 0 H LEU A 20 3.156 -4.793 -7.345 1.00 20.00 H new ATOM 0 HA LEU A 20 5.199 -5.985 -5.759 1.00 20.00 H new ATOM 0 HB2 LEU A 20 3.649 -3.348 -5.823 1.00 20.00 H new ATOM 0 HB3 LEU A 20 4.666 -3.658 -4.430 1.00 20.00 H new ATOM 0 HG LEU A 20 6.642 -3.921 -5.892 1.00 20.00 H new ATOM 0 HD11 LEU A 20 6.509 -3.350 -8.299 1.00 20.00 H new ATOM 0 HD12 LEU A 20 5.523 -4.781 -7.919 1.00 20.00 H new ATOM 0 HD13 LEU A 20 4.741 -3.202 -8.164 1.00 20.00 H new ATOM 0 HD21 LEU A 20 6.740 -1.519 -6.671 1.00 20.00 H new ATOM 0 HD22 LEU A 20 4.972 -1.408 -6.504 1.00 20.00 H new ATOM 0 HD23 LEU A 20 5.989 -1.634 -5.062 1.00 20.00 H new ATOM 307 N HIS A 21 2.430 -5.481 -4.130 1.00 20.00 N ATOM 308 CA HIS A 21 1.696 -5.890 -2.900 1.00 20.00 C ATOM 309 C HIS A 21 0.395 -6.629 -3.220 1.00 20.00 C ATOM 310 O HIS A 21 -0.135 -6.536 -4.308 1.00 20.00 O ATOM 311 CB HIS A 21 1.398 -4.628 -2.109 1.00 20.00 C ATOM 312 CG HIS A 21 2.670 -3.779 -2.073 1.00 20.00 C ATOM 313 ND1 HIS A 21 3.864 -4.238 -1.893 1.00 20.00 N ATOM 314 CD2 HIS A 21 2.844 -2.415 -2.217 1.00 20.00 C ATOM 315 CE1 HIS A 21 4.715 -3.262 -1.923 1.00 20.00 C ATOM 316 NE2 HIS A 21 4.124 -2.109 -2.122 1.00 20.00 N ATOM 0 H HIS A 21 1.910 -4.863 -4.753 1.00 20.00 H new ATOM 0 HA HIS A 21 2.313 -6.583 -2.328 1.00 20.00 H new ATOM 0 HB2 HIS A 21 0.582 -4.072 -2.572 1.00 20.00 H new ATOM 0 HB3 HIS A 21 1.079 -4.879 -1.097 1.00 20.00 H new ATOM 0 HD1 HIS A 21 4.101 -5.220 -1.749 1.00 20.00 H new ATOM 0 HD2 HIS A 21 2.048 -1.704 -2.383 1.00 20.00 H new ATOM 0 HE1 HIS A 21 5.781 -3.383 -1.799 1.00 20.00 H new ATOM 324 N ASN A 22 -0.082 -7.353 -2.247 1.00 20.00 N ATOM 325 CA ASN A 22 -1.348 -8.117 -2.437 1.00 20.00 C ATOM 326 C ASN A 22 -2.531 -7.174 -2.190 1.00 20.00 C ATOM 327 O ASN A 22 -3.221 -7.283 -1.197 1.00 20.00 O ATOM 328 CB ASN A 22 -1.378 -9.275 -1.446 1.00 20.00 C ATOM 329 CG ASN A 22 -0.153 -10.151 -1.695 1.00 20.00 C ATOM 330 OD1 ASN A 22 -0.241 -11.207 -2.287 1.00 20.00 O ATOM 331 ND2 ASN A 22 1.006 -9.742 -1.259 1.00 20.00 N ATOM 0 H ASN A 22 0.349 -7.449 -1.328 1.00 20.00 H new ATOM 0 HA ASN A 22 -1.410 -8.514 -3.450 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -1.374 -8.899 -0.423 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -2.292 -9.856 -1.569 1.00 20.00 H new ATOM 0 HD21 ASN A 22 1.839 -10.310 -1.415 1.00 20.00 H new ATOM 0 HD22 ASN A 22 1.080 -8.855 -0.762 1.00 20.00 H new ATOM 338 N THR A 23 -2.724 -6.273 -3.114 1.00 20.00 N ATOM 339 CA THR A 23 -3.835 -5.290 -3.004 1.00 20.00 C ATOM 340 C THR A 23 -4.708 -5.379 -4.247 1.00 20.00 C ATOM 341 O THR A 23 -4.676 -6.350 -4.977 1.00 20.00 O ATOM 342 CB THR A 23 -3.241 -3.887 -2.889 1.00 20.00 C ATOM 343 OG1 THR A 23 -2.414 -3.783 -4.039 1.00 20.00 O ATOM 344 CG2 THR A 23 -2.285 -3.795 -1.711 1.00 20.00 C ATOM 0 H THR A 23 -2.150 -6.176 -3.952 1.00 20.00 H new ATOM 0 HA THR A 23 -4.441 -5.505 -2.124 1.00 20.00 H new ATOM 0 HB THR A 23 -4.026 -3.138 -2.784 1.00 20.00 H new ATOM 0 HG1 THR A 23 -1.487 -3.624 -3.762 1.00 20.00 H new ATOM 0 HG21 THR A 23 -1.876 -2.786 -1.652 1.00 20.00 H new ATOM 0 HG22 THR A 23 -2.820 -4.024 -0.789 1.00 20.00 H new ATOM 0 HG23 THR A 23 -1.472 -4.508 -1.846 1.00 20.00 H new ATOM 352 N SER A 24 -5.469 -4.343 -4.439 1.00 20.00 N ATOM 353 CA SER A 24 -6.375 -4.294 -5.619 1.00 20.00 C ATOM 354 C SER A 24 -6.727 -2.837 -5.924 1.00 20.00 C ATOM 355 O SER A 24 -6.675 -2.399 -7.056 1.00 20.00 O ATOM 356 CB SER A 24 -7.653 -5.077 -5.308 1.00 20.00 C ATOM 357 OG SER A 24 -8.406 -4.951 -6.504 1.00 20.00 O ATOM 0 H SER A 24 -5.504 -3.526 -3.830 1.00 20.00 H new ATOM 0 HA SER A 24 -5.880 -4.737 -6.483 1.00 20.00 H new ATOM 0 HB2 SER A 24 -7.440 -6.120 -5.074 1.00 20.00 H new ATOM 0 HB3 SER A 24 -8.183 -4.660 -4.452 1.00 20.00 H new ATOM 0 HG SER A 24 -9.257 -5.427 -6.407 1.00 20.00 H new ATOM 363 N ARG A 25 -7.074 -2.126 -4.886 1.00 20.00 N ATOM 364 CA ARG A 25 -7.438 -0.692 -5.064 1.00 20.00 C ATOM 365 C ARG A 25 -6.145 0.130 -5.141 1.00 20.00 C ATOM 366 O ARG A 25 -5.178 -0.177 -4.472 1.00 20.00 O ATOM 367 CB ARG A 25 -8.256 -0.224 -3.870 1.00 20.00 C ATOM 368 CG ARG A 25 -9.130 0.968 -4.282 1.00 20.00 C ATOM 369 CD ARG A 25 -10.431 0.451 -4.924 1.00 20.00 C ATOM 370 NE ARG A 25 -11.220 -0.228 -3.852 1.00 20.00 N ATOM 371 CZ ARG A 25 -12.421 -0.686 -4.089 1.00 20.00 C ATOM 372 NH1 ARG A 25 -12.947 -0.553 -5.277 1.00 20.00 N ATOM 373 NH2 ARG A 25 -13.066 -1.269 -3.114 1.00 20.00 N ATOM 0 H ARG A 25 -7.121 -2.473 -3.928 1.00 20.00 H new ATOM 0 HA ARG A 25 -8.024 -0.565 -5.975 1.00 20.00 H new ATOM 0 HB2 ARG A 25 -8.882 -1.038 -3.503 1.00 20.00 H new ATOM 0 HB3 ARG A 25 -7.594 0.062 -3.052 1.00 20.00 H new ATOM 0 HG2 ARG A 25 -9.360 1.582 -3.411 1.00 20.00 H new ATOM 0 HG3 ARG A 25 -8.591 1.602 -4.986 1.00 20.00 H new ATOM 0 HD2 ARG A 25 -11.000 1.275 -5.356 1.00 20.00 H new ATOM 0 HD3 ARG A 25 -10.209 -0.243 -5.735 1.00 20.00 H new ATOM 0 HE ARG A 25 -10.815 -0.336 -2.922 1.00 20.00 H new ATOM 0 HH11 ARG A 25 -12.421 -0.092 -6.019 1.00 20.00 H new ATOM 0 HH12 ARG A 25 -13.884 -0.910 -5.463 1.00 20.00 H new ATOM 0 HH21 ARG A 25 -12.631 -1.358 -2.196 1.00 20.00 H new ATOM 0 HH22 ARG A 25 -14.005 -1.636 -3.271 1.00 20.00 H new ATOM 387 N GLY A 26 -6.145 1.161 -5.940 1.00 20.00 N ATOM 388 CA GLY A 26 -4.914 1.996 -6.051 1.00 20.00 C ATOM 389 C GLY A 26 -5.285 3.317 -6.718 1.00 20.00 C ATOM 390 O GLY A 26 -6.147 3.338 -7.572 1.00 20.00 O ATOM 0 H GLY A 26 -6.933 1.460 -6.515 1.00 20.00 H new ATOM 0 HA2 GLY A 26 -4.488 2.176 -5.064 1.00 20.00 H new ATOM 0 HA3 GLY A 26 -4.155 1.476 -6.636 1.00 20.00 H new ATOM 394 N LYS A 27 -4.636 4.387 -6.332 1.00 20.00 N ATOM 395 CA LYS A 27 -4.969 5.702 -6.952 1.00 20.00 C ATOM 396 C LYS A 27 -3.699 6.534 -6.994 1.00 20.00 C ATOM 397 O LYS A 27 -2.685 6.112 -6.481 1.00 20.00 O ATOM 398 CB LYS A 27 -5.996 6.454 -6.115 1.00 20.00 C ATOM 399 CG LYS A 27 -7.271 5.615 -5.921 1.00 20.00 C ATOM 400 CD LYS A 27 -8.319 6.436 -5.153 1.00 20.00 C ATOM 401 CE LYS A 27 -8.668 7.707 -5.945 1.00 20.00 C ATOM 402 NZ LYS A 27 -9.800 8.425 -5.298 1.00 20.00 N ATOM 0 H LYS A 27 -3.901 4.407 -5.625 1.00 20.00 H new ATOM 0 HA LYS A 27 -5.378 5.532 -7.948 1.00 20.00 H new ATOM 0 HB2 LYS A 27 -5.568 6.701 -5.144 1.00 20.00 H new ATOM 0 HB3 LYS A 27 -6.247 7.396 -6.602 1.00 20.00 H new ATOM 0 HG2 LYS A 27 -7.670 5.313 -6.889 1.00 20.00 H new ATOM 0 HG3 LYS A 27 -7.037 4.702 -5.373 1.00 20.00 H new ATOM 0 HD2 LYS A 27 -9.216 5.838 -4.993 1.00 20.00 H new ATOM 0 HD3 LYS A 27 -7.935 6.704 -4.169 1.00 20.00 H new ATOM 0 HE2 LYS A 27 -7.797 8.361 -5.999 1.00 20.00 H new ATOM 0 HE3 LYS A 27 -8.933 7.444 -6.969 1.00 20.00 H new ATOM 0 HZ1 LYS A 27 -10.025 9.281 -5.843 1.00 20.00 H new ATOM 0 HZ2 LYS A 27 -10.634 7.804 -5.269 1.00 20.00 H new ATOM 0 HZ3 LYS A 27 -9.533 8.692 -4.329 1.00 20.00 H new ATOM 416 N CYS A 28 -3.768 7.692 -7.591 1.00 20.00 N ATOM 417 CA CYS A 28 -2.541 8.527 -7.649 1.00 20.00 C ATOM 418 C CYS A 28 -2.813 10.022 -7.692 1.00 20.00 C ATOM 419 O CYS A 28 -3.638 10.508 -8.440 1.00 20.00 O ATOM 420 CB CYS A 28 -1.747 8.105 -8.883 1.00 20.00 C ATOM 421 SG CYS A 28 -0.408 9.180 -9.442 1.00 20.00 S ATOM 0 H CYS A 28 -4.600 8.087 -8.030 1.00 20.00 H new ATOM 0 HA CYS A 28 -1.981 8.360 -6.729 1.00 20.00 H new ATOM 0 HB2 CYS A 28 -1.324 7.120 -8.686 1.00 20.00 H new ATOM 0 HB3 CYS A 28 -2.450 7.991 -9.709 1.00 20.00 H new ATOM 426 N MET A 29 -2.073 10.700 -6.858 1.00 20.00 N ATOM 427 CA MET A 29 -2.195 12.177 -6.761 1.00 20.00 C ATOM 428 C MET A 29 -1.135 12.665 -7.724 1.00 20.00 C ATOM 429 O MET A 29 -0.180 11.945 -7.961 1.00 20.00 O ATOM 430 CB MET A 29 -1.902 12.614 -5.324 1.00 20.00 C ATOM 431 CG MET A 29 -1.899 14.148 -5.222 1.00 20.00 C ATOM 432 SD MET A 29 -3.288 15.057 -5.951 1.00 20.00 S ATOM 433 CE MET A 29 -4.394 15.059 -4.519 1.00 20.00 C ATOM 0 H MET A 29 -1.381 10.286 -6.233 1.00 20.00 H new ATOM 0 HA MET A 29 -3.183 12.569 -7.002 1.00 20.00 H new ATOM 0 HB2 MET A 29 -2.652 12.200 -4.651 1.00 20.00 H new ATOM 0 HB3 MET A 29 -0.937 12.220 -5.007 1.00 20.00 H new ATOM 0 HG2 MET A 29 -1.846 14.411 -4.166 1.00 20.00 H new ATOM 0 HG3 MET A 29 -0.983 14.511 -5.687 1.00 20.00 H new ATOM 0 HE1 MET A 29 -5.317 15.580 -4.773 1.00 20.00 H new ATOM 0 HE2 MET A 29 -4.624 14.032 -4.235 1.00 20.00 H new ATOM 0 HE3 MET A 29 -3.909 15.566 -3.685 1.00 20.00 H new ATOM 443 N ASN A 30 -1.338 13.862 -8.216 1.00 20.00 N ATOM 444 CA ASN A 30 -0.394 14.489 -9.190 1.00 20.00 C ATOM 445 C ASN A 30 1.039 14.250 -8.732 1.00 20.00 C ATOM 446 O ASN A 30 1.957 14.156 -9.522 1.00 20.00 O ATOM 447 CB ASN A 30 -0.681 15.987 -9.253 1.00 20.00 C ATOM 448 CG ASN A 30 -0.445 16.490 -10.680 1.00 20.00 C ATOM 449 OD1 ASN A 30 -1.354 16.545 -11.484 1.00 20.00 O ATOM 450 ND2 ASN A 30 0.749 16.870 -11.042 1.00 20.00 N ATOM 0 H ASN A 30 -2.140 14.445 -7.976 1.00 20.00 H new ATOM 0 HA ASN A 30 -0.525 14.050 -10.179 1.00 20.00 H new ATOM 0 HB2 ASN A 30 -1.710 16.184 -8.951 1.00 20.00 H new ATOM 0 HB3 ASN A 30 -0.036 16.522 -8.556 1.00 20.00 H new ATOM 0 HD21 ASN A 30 0.911 17.208 -11.991 1.00 20.00 H new ATOM 0 HD22 ASN A 30 1.521 16.829 -10.377 1.00 20.00 H new ATOM 457 N LYS A 31 1.181 14.154 -7.442 1.00 20.00 N ATOM 458 CA LYS A 31 2.522 13.912 -6.877 1.00 20.00 C ATOM 459 C LYS A 31 2.973 12.490 -7.266 1.00 20.00 C ATOM 460 O LYS A 31 3.965 12.329 -7.948 1.00 20.00 O ATOM 461 CB LYS A 31 2.433 14.066 -5.355 1.00 20.00 C ATOM 462 CG LYS A 31 2.171 15.547 -5.005 1.00 20.00 C ATOM 463 CD LYS A 31 1.917 15.674 -3.495 1.00 20.00 C ATOM 464 CE LYS A 31 1.740 17.156 -3.135 1.00 20.00 C ATOM 465 NZ LYS A 31 1.372 17.287 -1.694 1.00 20.00 N ATOM 0 H LYS A 31 0.426 14.233 -6.761 1.00 20.00 H new ATOM 0 HA LYS A 31 3.252 14.623 -7.264 1.00 20.00 H new ATOM 0 HB2 LYS A 31 1.632 13.440 -4.961 1.00 20.00 H new ATOM 0 HB3 LYS A 31 3.359 13.729 -4.889 1.00 20.00 H new ATOM 0 HG2 LYS A 31 3.026 16.158 -5.294 1.00 20.00 H new ATOM 0 HG3 LYS A 31 1.311 15.918 -5.563 1.00 20.00 H new ATOM 0 HD2 LYS A 31 1.027 15.111 -3.215 1.00 20.00 H new ATOM 0 HD3 LYS A 31 2.751 15.249 -2.937 1.00 20.00 H new ATOM 0 HE2 LYS A 31 2.663 17.701 -3.335 1.00 20.00 H new ATOM 0 HE3 LYS A 31 0.965 17.601 -3.759 1.00 20.00 H new ATOM 0 HZ1 LYS A 31 1.253 18.292 -1.456 1.00 20.00 H new ATOM 0 HZ2 LYS A 31 0.481 16.782 -1.516 1.00 20.00 H new ATOM 0 HZ3 LYS A 31 2.125 16.878 -1.105 1.00 20.00 H new ATOM 479 N LYS A 32 2.239 11.494 -6.835 1.00 20.00 N ATOM 480 CA LYS A 32 2.620 10.076 -7.164 1.00 20.00 C ATOM 481 C LYS A 32 1.512 9.073 -6.822 1.00 20.00 C ATOM 482 O LYS A 32 0.497 9.435 -6.259 1.00 20.00 O ATOM 483 CB LYS A 32 3.892 9.701 -6.387 1.00 20.00 C ATOM 484 CG LYS A 32 5.102 9.569 -7.340 1.00 20.00 C ATOM 485 CD LYS A 32 6.354 10.040 -6.596 1.00 20.00 C ATOM 486 CE LYS A 32 6.542 9.224 -5.319 1.00 20.00 C ATOM 487 NZ LYS A 32 7.892 9.503 -4.749 1.00 20.00 N ATOM 0 H LYS A 32 1.395 11.596 -6.271 1.00 20.00 H new ATOM 0 HA LYS A 32 2.788 10.026 -8.240 1.00 20.00 H new ATOM 0 HB2 LYS A 32 4.099 10.460 -5.633 1.00 20.00 H new ATOM 0 HB3 LYS A 32 3.736 8.761 -5.858 1.00 20.00 H new ATOM 0 HG2 LYS A 32 5.219 8.535 -7.664 1.00 20.00 H new ATOM 0 HG3 LYS A 32 4.946 10.168 -8.237 1.00 20.00 H new ATOM 0 HD2 LYS A 32 7.229 9.934 -7.237 1.00 20.00 H new ATOM 0 HD3 LYS A 32 6.265 11.098 -6.351 1.00 20.00 H new ATOM 0 HE2 LYS A 32 5.769 9.479 -4.594 1.00 20.00 H new ATOM 0 HE3 LYS A 32 6.439 8.161 -5.535 1.00 20.00 H new ATOM 0 HZ1 LYS A 32 8.023 8.948 -3.879 1.00 20.00 H new ATOM 0 HZ2 LYS A 32 8.622 9.239 -5.441 1.00 20.00 H new ATOM 0 HZ3 LYS A 32 7.973 10.516 -4.529 1.00 20.00 H new ATOM 501 N CYS A 33 1.736 7.832 -7.171 1.00 20.00 N ATOM 502 CA CYS A 33 0.728 6.782 -6.876 1.00 20.00 C ATOM 503 C CYS A 33 0.904 6.177 -5.486 1.00 20.00 C ATOM 504 O CYS A 33 1.984 6.129 -4.930 1.00 20.00 O ATOM 505 CB CYS A 33 0.812 5.609 -7.850 1.00 20.00 C ATOM 506 SG CYS A 33 -0.420 4.358 -7.457 1.00 20.00 S ATOM 0 H CYS A 33 2.576 7.505 -7.648 1.00 20.00 H new ATOM 0 HA CYS A 33 -0.229 7.298 -6.960 1.00 20.00 H new ATOM 0 HB2 CYS A 33 0.661 5.966 -8.869 1.00 20.00 H new ATOM 0 HB3 CYS A 33 1.808 5.169 -7.810 1.00 20.00 H new ATOM 511 N ARG A 34 -0.206 5.725 -4.977 1.00 20.00 N ATOM 512 CA ARG A 34 -0.249 5.091 -3.642 1.00 20.00 C ATOM 513 C ARG A 34 -1.355 4.048 -3.706 1.00 20.00 C ATOM 514 O ARG A 34 -2.394 4.257 -4.303 1.00 20.00 O ATOM 515 CB ARG A 34 -0.551 6.149 -2.575 1.00 20.00 C ATOM 516 CG ARG A 34 -1.528 7.180 -3.102 1.00 20.00 C ATOM 517 CD ARG A 34 -2.095 7.971 -1.927 1.00 20.00 C ATOM 518 NE ARG A 34 -2.716 9.208 -2.477 1.00 20.00 N ATOM 519 CZ ARG A 34 -3.199 10.110 -1.666 1.00 20.00 C ATOM 520 NH1 ARG A 34 -3.134 9.920 -0.374 1.00 20.00 N ATOM 521 NH2 ARG A 34 -3.732 11.186 -2.181 1.00 20.00 N ATOM 0 H ARG A 34 -1.109 5.773 -5.449 1.00 20.00 H new ATOM 0 HA ARG A 34 0.703 4.630 -3.377 1.00 20.00 H new ATOM 0 HB2 ARG A 34 -0.964 5.670 -1.688 1.00 20.00 H new ATOM 0 HB3 ARG A 34 0.374 6.640 -2.271 1.00 20.00 H new ATOM 0 HG2 ARG A 34 -1.028 7.850 -3.801 1.00 20.00 H new ATOM 0 HG3 ARG A 34 -2.333 6.691 -3.650 1.00 20.00 H new ATOM 0 HD2 ARG A 34 -2.834 7.379 -1.387 1.00 20.00 H new ATOM 0 HD3 ARG A 34 -1.307 8.221 -1.217 1.00 20.00 H new ATOM 0 HE ARG A 34 -2.764 9.350 -3.486 1.00 20.00 H new ATOM 0 HH11 ARG A 34 -2.708 9.070 -0.004 1.00 20.00 H new ATOM 0 HH12 ARG A 34 -3.510 10.621 0.264 1.00 20.00 H new ATOM 0 HH21 ARG A 34 -3.763 11.305 -3.194 1.00 20.00 H new ATOM 0 HH22 ARG A 34 -4.117 11.907 -1.571 1.00 20.00 H new ATOM 535 N CYS A 35 -1.090 2.938 -3.083 1.00 20.00 N ATOM 536 CA CYS A 35 -2.086 1.835 -3.077 1.00 20.00 C ATOM 537 C CYS A 35 -3.040 1.975 -1.900 1.00 20.00 C ATOM 538 O CYS A 35 -2.771 2.688 -0.954 1.00 20.00 O ATOM 539 CB CYS A 35 -1.332 0.512 -2.992 1.00 20.00 C ATOM 540 SG CYS A 35 -0.020 0.284 -4.215 1.00 20.00 S ATOM 0 H CYS A 35 -0.226 2.746 -2.577 1.00 20.00 H new ATOM 0 HA CYS A 35 -2.681 1.872 -3.990 1.00 20.00 H new ATOM 0 HB2 CYS A 35 -0.896 0.426 -1.997 1.00 20.00 H new ATOM 0 HB3 CYS A 35 -2.049 -0.302 -3.098 1.00 20.00 H new