USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 270 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 7 SER OG : rot 2:sc= 0.283 USER MOD Set 1.2: A 10 THR OG1 : rot -3:sc= 0.499 USER MOD Set 2.1: A 4 THR OG1 : rot 180:sc= 0.0641 USER MOD Set 2.2: A 15 THR OG1 : rot -88:sc= 0.0629 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.255 K(o=0.26,f=-4.1!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0.421 X(o=0.42,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 86:sc= 1.07 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N CYS A 2 -1.422 -8.880 -6.184 1.00 64.22 N ATOM 21 CA CYS A 2 -0.643 -7.731 -5.745 1.00 45.32 C ATOM 22 C CYS A 2 -1.534 -6.485 -5.767 1.00 71.42 C ATOM 23 O CYS A 2 -2.056 -6.121 -6.826 1.00 21.13 O ATOM 24 CB CYS A 2 0.572 -7.561 -6.669 1.00 61.14 C ATOM 25 SG CYS A 2 1.625 -9.040 -6.775 1.00 14.21 S ATOM 0 HA CYS A 2 -0.282 -7.881 -4.727 1.00 45.32 H new ATOM 0 HB2 CYS A 2 0.223 -7.302 -7.669 1.00 61.14 H new ATOM 0 HB3 CYS A 2 1.172 -6.723 -6.314 1.00 61.14 H new ATOM 30 N TYR A 3 -1.725 -5.859 -4.595 1.00 71.51 N ATOM 31 CA TYR A 3 -2.603 -4.696 -4.433 1.00 11.33 C ATOM 32 C TYR A 3 -1.943 -3.448 -5.026 1.00 34.04 C ATOM 33 O TYR A 3 -0.820 -3.120 -4.656 1.00 72.54 O ATOM 34 CB TYR A 3 -2.919 -4.484 -2.932 1.00 64.21 C ATOM 35 CG TYR A 3 -4.083 -3.518 -2.631 1.00 41.22 C ATOM 36 CD1 TYR A 3 -5.312 -3.667 -3.282 1.00 12.20 C ATOM 37 CD2 TYR A 3 -3.970 -2.485 -1.687 1.00 60.23 C ATOM 38 CE1 TYR A 3 -6.370 -2.828 -3.018 1.00 31.41 C ATOM 39 CE2 TYR A 3 -5.035 -1.648 -1.419 1.00 31.31 C ATOM 40 CZ TYR A 3 -6.230 -1.822 -2.086 1.00 22.13 C ATOM 41 OH TYR A 3 -7.295 -0.982 -1.819 1.00 73.14 O ATOM 0 H TYR A 3 -1.270 -6.150 -3.729 1.00 71.51 H new ATOM 0 HA TYR A 3 -3.537 -4.875 -4.966 1.00 11.33 H new ATOM 0 HB2 TYR A 3 -3.148 -5.452 -2.486 1.00 64.21 H new ATOM 0 HB3 TYR A 3 -2.022 -4.110 -2.439 1.00 64.21 H new ATOM 0 HD1 TYR A 3 -5.433 -4.458 -4.008 1.00 12.20 H new ATOM 0 HD2 TYR A 3 -3.036 -2.343 -1.163 1.00 60.23 H new ATOM 0 HE1 TYR A 3 -7.307 -2.957 -3.539 1.00 31.41 H new ATOM 0 HE2 TYR A 3 -4.933 -0.859 -0.689 1.00 31.31 H new ATOM 0 HH TYR A 3 -7.033 -0.328 -1.138 1.00 73.14 H new ATOM 51 N THR A 4 -2.634 -2.783 -5.958 1.00 53.44 N ATOM 52 CA THR A 4 -2.213 -1.503 -6.521 1.00 22.55 C ATOM 53 C THR A 4 -3.054 -0.395 -5.881 1.00 51.41 C ATOM 54 O THR A 4 -4.289 -0.421 -5.957 1.00 23.23 O ATOM 55 CB THR A 4 -2.354 -1.477 -8.074 1.00 53.42 C ATOM 56 OG1 THR A 4 -1.628 -2.579 -8.635 1.00 22.42 O ATOM 57 CG2 THR A 4 -1.830 -0.160 -8.679 1.00 53.32 C ATOM 0 H THR A 4 -3.513 -3.126 -6.345 1.00 53.44 H new ATOM 0 HA THR A 4 -1.157 -1.348 -6.302 1.00 22.55 H new ATOM 0 HB THR A 4 -3.414 -1.556 -8.314 1.00 53.42 H new ATOM 0 HG1 THR A 4 -1.716 -2.566 -9.611 1.00 22.42 H new ATOM 0 HG21 THR A 4 -1.948 -0.185 -9.762 1.00 53.32 H new ATOM 0 HG22 THR A 4 -2.396 0.678 -8.272 1.00 53.32 H new ATOM 0 HG23 THR A 4 -0.775 -0.040 -8.431 1.00 53.32 H new ATOM 65 N PHE A 5 -2.383 0.567 -5.236 1.00 13.01 N ATOM 66 CA PHE A 5 -3.035 1.593 -4.419 1.00 10.21 C ATOM 67 C PHE A 5 -2.294 2.920 -4.554 1.00 54.50 C ATOM 68 O PHE A 5 -1.074 2.957 -4.492 1.00 53.32 O ATOM 69 CB PHE A 5 -3.101 1.123 -2.949 1.00 42.45 C ATOM 70 CG PHE A 5 -1.790 0.576 -2.368 1.00 25.51 C ATOM 71 CD1 PHE A 5 -1.380 -0.712 -2.662 1.00 73.11 C ATOM 72 CD2 PHE A 5 -0.994 1.322 -1.508 1.00 50.34 C ATOM 73 CE1 PHE A 5 -0.242 -1.245 -2.135 1.00 12.42 C ATOM 74 CE2 PHE A 5 0.154 0.786 -0.966 1.00 13.23 C ATOM 75 CZ PHE A 5 0.526 -0.507 -1.282 1.00 55.33 C ATOM 0 H PHE A 5 -1.367 0.654 -5.268 1.00 13.01 H new ATOM 0 HA PHE A 5 -4.055 1.748 -4.770 1.00 10.21 H new ATOM 0 HB2 PHE A 5 -3.429 1.960 -2.333 1.00 42.45 H new ATOM 0 HB3 PHE A 5 -3.864 0.349 -2.868 1.00 42.45 H new ATOM 0 HD1 PHE A 5 -1.980 -1.313 -3.329 1.00 73.11 H new ATOM 0 HD2 PHE A 5 -1.278 2.334 -1.261 1.00 50.34 H new ATOM 0 HE1 PHE A 5 0.052 -2.252 -2.392 1.00 12.42 H new ATOM 0 HE2 PHE A 5 0.762 1.375 -0.295 1.00 13.23 H new ATOM 0 HZ PHE A 5 1.422 -0.932 -0.855 1.00 55.33 H new ATOM 85 N ARG A 6 -3.051 4.009 -4.682 1.00 13.21 N ATOM 86 CA ARG A 6 -2.517 5.332 -5.002 1.00 3.02 C ATOM 87 C ARG A 6 -2.623 6.275 -3.795 1.00 62.22 C ATOM 88 O ARG A 6 -3.711 6.452 -3.245 1.00 32.02 O ATOM 89 CB ARG A 6 -3.300 5.923 -6.201 1.00 74.04 C ATOM 90 CG ARG A 6 -2.696 7.214 -6.807 1.00 11.12 C ATOM 91 CD ARG A 6 -3.556 7.784 -7.949 1.00 41.31 C ATOM 92 NE ARG A 6 -2.802 8.683 -8.854 1.00 51.10 N ATOM 93 CZ ARG A 6 -2.539 8.427 -10.146 1.00 71.22 C ATOM 94 NH1 ARG A 6 -2.966 7.296 -10.718 1.00 3.12 N ATOM 95 NH2 ARG A 6 -1.866 9.312 -10.863 1.00 34.12 N ATOM 0 H ARG A 6 -4.064 3.997 -4.565 1.00 13.21 H new ATOM 0 HA ARG A 6 -1.463 5.230 -5.261 1.00 3.02 H new ATOM 0 HB2 ARG A 6 -3.361 5.167 -6.984 1.00 74.04 H new ATOM 0 HB3 ARG A 6 -4.320 6.133 -5.881 1.00 74.04 H new ATOM 0 HG2 ARG A 6 -2.592 7.965 -6.024 1.00 11.12 H new ATOM 0 HG3 ARG A 6 -1.694 7.002 -7.181 1.00 11.12 H new ATOM 0 HD2 ARG A 6 -3.971 6.960 -8.529 1.00 41.31 H new ATOM 0 HD3 ARG A 6 -4.398 8.330 -7.524 1.00 41.31 H new ATOM 0 HE ARG A 6 -2.457 9.561 -8.467 1.00 51.10 H new ATOM 0 HH11 ARG A 6 -3.497 6.617 -10.172 1.00 3.12 H new ATOM 0 HH12 ARG A 6 -2.760 7.112 -11.700 1.00 3.12 H new ATOM 0 HH21 ARG A 6 -1.550 10.182 -10.434 1.00 34.12 H new ATOM 0 HH22 ARG A 6 -1.663 9.124 -11.845 1.00 34.12 H new ATOM 109 N SER A 7 -1.496 6.853 -3.392 1.00 3.01 N ATOM 110 CA SER A 7 -1.467 7.989 -2.470 1.00 40.11 C ATOM 111 C SER A 7 -1.690 9.257 -3.303 1.00 54.43 C ATOM 112 O SER A 7 -0.816 9.645 -4.084 1.00 11.14 O ATOM 113 CB SER A 7 -0.121 8.036 -1.712 1.00 13.50 C ATOM 114 OG SER A 7 -0.029 9.160 -0.848 1.00 51.50 O ATOM 0 H SER A 7 -0.572 6.547 -3.696 1.00 3.01 H new ATOM 0 HA SER A 7 -2.248 7.899 -1.715 1.00 40.11 H new ATOM 0 HB2 SER A 7 -0.002 7.122 -1.130 1.00 13.50 H new ATOM 0 HB3 SER A 7 0.698 8.065 -2.431 1.00 13.50 H new ATOM 0 HG SER A 7 -0.867 9.668 -0.881 1.00 51.50 H new ATOM 120 N GLU A 8 -2.890 9.851 -3.188 1.00 24.14 N ATOM 121 CA GLU A 8 -3.302 11.017 -3.993 1.00 63.22 C ATOM 122 C GLU A 8 -2.528 12.296 -3.603 1.00 74.21 C ATOM 123 O GLU A 8 -2.360 13.197 -4.429 1.00 60.24 O ATOM 124 CB GLU A 8 -4.832 11.233 -3.867 1.00 15.13 C ATOM 125 CG GLU A 8 -5.679 10.041 -4.376 1.00 64.42 C ATOM 126 CD GLU A 8 -7.188 10.261 -4.193 1.00 63.04 C ATOM 127 OE1 GLU A 8 -7.780 11.051 -4.949 1.00 42.23 O ATOM 128 OE2 GLU A 8 -7.786 9.662 -3.282 1.00 43.13 O ATOM 0 H GLU A 8 -3.605 9.536 -2.532 1.00 24.14 H new ATOM 0 HA GLU A 8 -3.057 10.807 -5.034 1.00 63.22 H new ATOM 0 HB2 GLU A 8 -5.078 11.420 -2.822 1.00 15.13 H new ATOM 0 HB3 GLU A 8 -5.110 12.127 -4.425 1.00 15.13 H new ATOM 0 HG2 GLU A 8 -5.466 9.875 -5.432 1.00 64.42 H new ATOM 0 HG3 GLU A 8 -5.381 9.137 -3.845 1.00 64.42 H new ATOM 135 N CYS A 9 -2.021 12.342 -2.359 1.00 15.33 N ATOM 136 CA CYS A 9 -1.185 13.461 -1.861 1.00 51.32 C ATOM 137 C CYS A 9 0.256 13.416 -2.431 1.00 25.34 C ATOM 138 O CYS A 9 1.064 14.310 -2.163 1.00 63.01 O ATOM 139 CB CYS A 9 -1.178 13.427 -0.322 1.00 45.33 C ATOM 140 SG CYS A 9 -0.975 11.752 0.350 1.00 24.42 S ATOM 0 H CYS A 9 -2.176 11.608 -1.667 1.00 15.33 H new ATOM 0 HA CYS A 9 -1.617 14.400 -2.206 1.00 51.32 H new ATOM 0 HB2 CYS A 9 -0.371 14.060 0.046 1.00 45.33 H new ATOM 0 HB3 CYS A 9 -2.111 13.851 0.050 1.00 45.33 H new ATOM 145 N THR A 10 0.565 12.371 -3.215 1.00 62.13 N ATOM 146 CA THR A 10 1.803 12.271 -4.011 1.00 13.02 C ATOM 147 C THR A 10 1.434 12.020 -5.483 1.00 43.34 C ATOM 148 O THR A 10 2.271 12.178 -6.379 1.00 54.34 O ATOM 149 CB THR A 10 2.739 11.125 -3.501 1.00 14.42 C ATOM 150 OG1 THR A 10 2.034 9.876 -3.507 1.00 34.54 O ATOM 151 CG2 THR A 10 3.280 11.407 -2.090 1.00 34.24 C ATOM 0 H THR A 10 -0.045 11.560 -3.317 1.00 62.13 H new ATOM 0 HA THR A 10 2.348 13.209 -3.907 1.00 13.02 H new ATOM 0 HB THR A 10 3.590 11.073 -4.180 1.00 14.42 H new ATOM 0 HG1 THR A 10 1.106 10.025 -3.785 1.00 34.54 H new ATOM 0 HG21 THR A 10 3.925 10.586 -1.777 1.00 34.24 H new ATOM 0 HG22 THR A 10 3.852 12.335 -2.098 1.00 34.24 H new ATOM 0 HG23 THR A 10 2.447 11.501 -1.393 1.00 34.24 H new ATOM 159 N ASN A 11 0.166 11.585 -5.689 1.00 65.43 N ATOM 160 CA ASN A 11 -0.416 11.236 -6.996 1.00 33.10 C ATOM 161 C ASN A 11 0.316 10.007 -7.618 1.00 22.34 C ATOM 162 O ASN A 11 0.256 9.768 -8.824 1.00 40.41 O ATOM 163 CB ASN A 11 -0.416 12.488 -7.915 1.00 35.21 C ATOM 164 CG ASN A 11 -1.239 12.344 -9.202 1.00 63.34 C ATOM 165 OD1 ASN A 11 -2.254 11.649 -9.228 1.00 3.30 O ATOM 166 ND2 ASN A 11 -0.815 12.998 -10.273 1.00 15.20 N ATOM 0 H ASN A 11 -0.495 11.466 -4.922 1.00 65.43 H new ATOM 0 HA ASN A 11 -1.455 10.929 -6.872 1.00 33.10 H new ATOM 0 HB2 ASN A 11 -0.800 13.337 -7.349 1.00 35.21 H new ATOM 0 HB3 ASN A 11 0.614 12.724 -8.184 1.00 35.21 H new ATOM 0 HD21 ASN A 11 -1.334 12.933 -11.149 1.00 15.20 H new ATOM 0 HD22 ASN A 11 0.030 13.567 -10.222 1.00 15.20 H new ATOM 173 N LYS A 12 0.969 9.200 -6.746 1.00 14.30 N ATOM 174 CA LYS A 12 1.722 8.002 -7.154 1.00 70.42 C ATOM 175 C LYS A 12 0.998 6.745 -6.673 1.00 32.42 C ATOM 176 O LYS A 12 0.565 6.678 -5.515 1.00 1.14 O ATOM 177 CB LYS A 12 3.163 8.018 -6.573 1.00 73.42 C ATOM 178 CG LYS A 12 4.002 6.769 -6.952 1.00 62.42 C ATOM 179 CD LYS A 12 5.385 6.704 -6.257 1.00 44.41 C ATOM 180 CE LYS A 12 6.114 5.381 -6.552 1.00 72.52 C ATOM 181 NZ LYS A 12 7.423 5.274 -5.849 1.00 14.11 N ATOM 0 H LYS A 12 0.985 9.367 -5.740 1.00 14.30 H new ATOM 0 HA LYS A 12 1.787 8.001 -8.242 1.00 70.42 H new ATOM 0 HB2 LYS A 12 3.678 8.911 -6.926 1.00 73.42 H new ATOM 0 HB3 LYS A 12 3.107 8.091 -5.487 1.00 73.42 H new ATOM 0 HG2 LYS A 12 3.436 5.873 -6.697 1.00 62.42 H new ATOM 0 HG3 LYS A 12 4.149 6.757 -8.032 1.00 62.42 H new ATOM 0 HD2 LYS A 12 5.999 7.540 -6.592 1.00 44.41 H new ATOM 0 HD3 LYS A 12 5.256 6.815 -5.180 1.00 44.41 H new ATOM 0 HE2 LYS A 12 5.478 4.547 -6.255 1.00 72.52 H new ATOM 0 HE3 LYS A 12 6.275 5.292 -7.626 1.00 72.52 H new ATOM 0 HZ1 LYS A 12 7.870 4.365 -6.083 1.00 14.11 H new ATOM 0 HZ2 LYS A 12 8.043 6.052 -6.150 1.00 14.11 H new ATOM 0 HZ3 LYS A 12 7.271 5.330 -4.822 1.00 14.11 H new ATOM 195 N GLU A 13 0.859 5.763 -7.573 1.00 61.14 N ATOM 196 CA GLU A 13 0.360 4.426 -7.229 1.00 22.13 C ATOM 197 C GLU A 13 1.535 3.499 -6.848 1.00 45.51 C ATOM 198 O GLU A 13 2.668 3.676 -7.315 1.00 53.03 O ATOM 199 CB GLU A 13 -0.479 3.832 -8.393 1.00 15.23 C ATOM 200 CG GLU A 13 0.261 3.732 -9.744 1.00 34.51 C ATOM 201 CD GLU A 13 -0.609 3.113 -10.847 1.00 74.43 C ATOM 202 OE1 GLU A 13 -1.566 3.769 -11.288 1.00 51.25 O ATOM 203 OE2 GLU A 13 -0.347 1.967 -11.278 1.00 43.14 O ATOM 0 H GLU A 13 1.090 5.874 -8.560 1.00 61.14 H new ATOM 0 HA GLU A 13 -0.298 4.510 -6.364 1.00 22.13 H new ATOM 0 HB2 GLU A 13 -0.817 2.836 -8.106 1.00 15.23 H new ATOM 0 HB3 GLU A 13 -1.370 4.445 -8.528 1.00 15.23 H new ATOM 0 HG2 GLU A 13 0.581 4.727 -10.054 1.00 34.51 H new ATOM 0 HG3 GLU A 13 1.162 3.132 -9.617 1.00 34.51 H new ATOM 210 N PHE A 14 1.249 2.526 -5.983 1.00 63.14 N ATOM 211 CA PHE A 14 2.212 1.536 -5.480 1.00 51.30 C ATOM 212 C PHE A 14 1.631 0.153 -5.765 1.00 41.30 C ATOM 213 O PHE A 14 0.437 0.041 -6.045 1.00 25.22 O ATOM 214 CB PHE A 14 2.433 1.692 -3.944 1.00 72.04 C ATOM 215 CG PHE A 14 2.505 3.134 -3.460 1.00 53.51 C ATOM 216 CD1 PHE A 14 3.605 3.931 -3.737 1.00 13.01 C ATOM 217 CD2 PHE A 14 1.460 3.688 -2.726 1.00 1.44 C ATOM 218 CE1 PHE A 14 3.657 5.234 -3.293 1.00 14.53 C ATOM 219 CE2 PHE A 14 1.511 4.977 -2.286 1.00 25.33 C ATOM 220 CZ PHE A 14 2.605 5.758 -2.566 1.00 31.42 C ATOM 0 H PHE A 14 0.313 2.398 -5.599 1.00 63.14 H new ATOM 0 HA PHE A 14 3.175 1.678 -5.971 1.00 51.30 H new ATOM 0 HB2 PHE A 14 1.622 1.186 -3.420 1.00 72.04 H new ATOM 0 HB3 PHE A 14 3.357 1.183 -3.669 1.00 72.04 H new ATOM 0 HD1 PHE A 14 4.429 3.527 -4.306 1.00 13.01 H new ATOM 0 HD2 PHE A 14 0.593 3.085 -2.501 1.00 1.44 H new ATOM 0 HE1 PHE A 14 4.519 5.846 -3.513 1.00 14.53 H new ATOM 0 HE2 PHE A 14 0.689 5.385 -1.716 1.00 25.33 H new ATOM 0 HZ PHE A 14 2.643 6.780 -2.219 1.00 31.42 H new ATOM 230 N THR A 15 2.456 -0.894 -5.691 1.00 43.32 N ATOM 231 CA THR A 15 1.980 -2.281 -5.785 1.00 72.32 C ATOM 232 C THR A 15 2.753 -3.148 -4.783 1.00 23.13 C ATOM 233 O THR A 15 3.987 -3.093 -4.742 1.00 34.04 O ATOM 234 CB THR A 15 2.136 -2.836 -7.240 1.00 33.42 C ATOM 235 OG1 THR A 15 1.515 -1.932 -8.177 1.00 10.32 O ATOM 236 CG2 THR A 15 1.498 -4.218 -7.415 1.00 51.24 C ATOM 0 H THR A 15 3.465 -0.809 -5.565 1.00 43.32 H new ATOM 0 HA THR A 15 0.918 -2.309 -5.542 1.00 72.32 H new ATOM 0 HB THR A 15 3.206 -2.926 -7.428 1.00 33.42 H new ATOM 0 HG1 THR A 15 0.570 -2.168 -8.282 1.00 10.32 H new ATOM 0 HG21 THR A 15 1.636 -4.555 -8.442 1.00 51.24 H new ATOM 0 HG22 THR A 15 1.971 -4.926 -6.735 1.00 51.24 H new ATOM 0 HG23 THR A 15 0.433 -4.158 -7.193 1.00 51.24 H new ATOM 244 N VAL A 16 2.032 -3.935 -3.966 1.00 24.25 N ATOM 245 CA VAL A 16 2.649 -4.851 -2.986 1.00 42.53 C ATOM 246 C VAL A 16 2.037 -6.254 -3.122 1.00 61.33 C ATOM 247 O VAL A 16 0.823 -6.404 -3.315 1.00 23.30 O ATOM 248 CB VAL A 16 2.507 -4.302 -1.513 1.00 11.43 C ATOM 249 CG1 VAL A 16 1.053 -4.367 -0.983 1.00 5.23 C ATOM 250 CG2 VAL A 16 3.496 -5.003 -0.545 1.00 31.53 C ATOM 0 H VAL A 16 1.012 -3.956 -3.964 1.00 24.25 H new ATOM 0 HA VAL A 16 3.716 -4.916 -3.199 1.00 42.53 H new ATOM 0 HB VAL A 16 2.772 -3.246 -1.554 1.00 11.43 H new ATOM 0 HG11 VAL A 16 1.019 -3.976 0.034 1.00 5.23 H new ATOM 0 HG12 VAL A 16 0.405 -3.769 -1.624 1.00 5.23 H new ATOM 0 HG13 VAL A 16 0.711 -5.402 -0.986 1.00 5.23 H new ATOM 0 HG21 VAL A 16 3.369 -4.599 0.460 1.00 31.53 H new ATOM 0 HG22 VAL A 16 3.296 -6.074 -0.533 1.00 31.53 H new ATOM 0 HG23 VAL A 16 4.518 -4.828 -0.880 1.00 31.53 H new ATOM 260 N CYS A 17 2.890 -7.276 -3.042 1.00 64.01 N ATOM 261 CA CYS A 17 2.499 -8.677 -3.221 1.00 72.22 C ATOM 262 C CYS A 17 2.626 -9.417 -1.885 1.00 14.13 C ATOM 263 O CYS A 17 3.735 -9.748 -1.452 1.00 23.51 O ATOM 264 CB CYS A 17 3.382 -9.325 -4.305 1.00 31.34 C ATOM 265 SG CYS A 17 3.360 -8.452 -5.907 1.00 61.14 S ATOM 0 H CYS A 17 3.884 -7.154 -2.849 1.00 64.01 H new ATOM 0 HA CYS A 17 1.461 -8.736 -3.548 1.00 72.22 H new ATOM 0 HB2 CYS A 17 4.409 -9.370 -3.942 1.00 31.34 H new ATOM 0 HB3 CYS A 17 3.053 -10.353 -4.459 1.00 31.34 H new ATOM 270 N ARG A 18 1.487 -9.617 -1.207 1.00 20.31 N ATOM 271 CA ARG A 18 1.415 -10.316 0.090 1.00 42.33 C ATOM 272 C ARG A 18 0.372 -11.447 0.017 1.00 44.43 C ATOM 273 O ARG A 18 -0.702 -11.246 -0.560 1.00 25.21 O ATOM 274 CB ARG A 18 1.045 -9.319 1.220 1.00 32.10 C ATOM 275 CG ARG A 18 2.120 -8.253 1.535 1.00 63.21 C ATOM 276 CD ARG A 18 3.406 -8.876 2.104 1.00 74.33 C ATOM 277 NE ARG A 18 4.373 -7.853 2.542 1.00 13.21 N ATOM 278 CZ ARG A 18 5.321 -8.041 3.475 1.00 62.23 C ATOM 279 NH1 ARG A 18 5.453 -9.212 4.100 1.00 43.33 N ATOM 280 NH2 ARG A 18 6.123 -7.036 3.797 1.00 33.31 N ATOM 0 H ARG A 18 0.579 -9.296 -1.544 1.00 20.31 H new ATOM 0 HA ARG A 18 2.391 -10.746 0.313 1.00 42.33 H new ATOM 0 HB2 ARG A 18 0.121 -8.810 0.946 1.00 32.10 H new ATOM 0 HB3 ARG A 18 0.840 -9.885 2.129 1.00 32.10 H new ATOM 0 HG2 ARG A 18 2.358 -7.699 0.627 1.00 63.21 H new ATOM 0 HG3 ARG A 18 1.719 -7.535 2.250 1.00 63.21 H new ATOM 0 HD2 ARG A 18 3.154 -9.520 2.947 1.00 74.33 H new ATOM 0 HD3 ARG A 18 3.867 -9.509 1.346 1.00 74.33 H new ATOM 0 HE ARG A 18 4.318 -6.934 2.104 1.00 13.21 H new ATOM 0 HH11 ARG A 18 4.828 -9.985 3.872 1.00 43.33 H new ATOM 0 HH12 ARG A 18 6.179 -9.334 4.806 1.00 43.33 H new ATOM 0 HH21 ARG A 18 6.017 -6.131 3.338 1.00 33.31 H new ATOM 0 HH22 ARG A 18 6.846 -7.167 4.504 1.00 33.31 H new ATOM 294 N PRO A 19 0.672 -12.653 0.608 1.00 15.00 N ATOM 295 CA PRO A 19 -0.254 -13.819 0.573 1.00 0.21 C ATOM 296 C PRO A 19 -1.551 -13.611 1.385 1.00 33.52 C ATOM 297 O PRO A 19 -2.550 -14.296 1.139 1.00 11.11 O ATOM 298 CB PRO A 19 0.604 -14.978 1.150 1.00 51.33 C ATOM 299 CG PRO A 19 1.640 -14.306 2.004 1.00 63.10 C ATOM 300 CD PRO A 19 1.947 -12.988 1.320 1.00 14.43 C ATOM 0 HA PRO A 19 -0.620 -14.007 -0.436 1.00 0.21 H new ATOM 0 HB2 PRO A 19 -0.005 -15.666 1.736 1.00 51.33 H new ATOM 0 HB3 PRO A 19 1.067 -15.561 0.354 1.00 51.33 H new ATOM 0 HG2 PRO A 19 1.268 -14.144 3.016 1.00 63.10 H new ATOM 0 HG3 PRO A 19 2.536 -14.921 2.088 1.00 63.10 H new ATOM 0 HD2 PRO A 19 2.218 -12.216 2.041 1.00 14.43 H new ATOM 0 HD3 PRO A 19 2.781 -13.082 0.625 1.00 14.43 H new ATOM 308 N ASN A 20 -1.532 -12.672 2.355 1.00 23.34 N ATOM 309 CA ASN A 20 -2.709 -12.341 3.192 1.00 22.44 C ATOM 310 C ASN A 20 -3.130 -10.875 2.979 1.00 33.13 C ATOM 311 O ASN A 20 -2.258 -10.003 2.841 1.00 3.53 O ATOM 312 CB ASN A 20 -2.419 -12.553 4.703 1.00 70.52 C ATOM 313 CG ASN A 20 -2.023 -13.983 5.046 1.00 1.34 C ATOM 314 OD1 ASN A 20 -2.871 -14.840 5.297 1.00 22.30 O ATOM 315 ND2 ASN A 20 -0.740 -14.256 5.069 1.00 44.43 N ATOM 0 H ASN A 20 -0.703 -12.122 2.581 1.00 23.34 H new ATOM 0 HA ASN A 20 -3.511 -13.012 2.886 1.00 22.44 H new ATOM 0 HB2 ASN A 20 -1.620 -11.878 5.011 1.00 70.52 H new ATOM 0 HB3 ASN A 20 -3.305 -12.281 5.277 1.00 70.52 H new ATOM 0 HD21 ASN A 20 -0.423 -15.198 5.299 1.00 44.43 H new ATOM 0 HD22 ASN A 20 -0.059 -13.526 4.857 1.00 44.43 H new ATOM 322 N PRO A 21 -4.479 -10.581 2.947 1.00 50.03 N ATOM 323 CA PRO A 21 -4.998 -9.196 3.065 1.00 23.11 C ATOM 324 C PRO A 21 -4.585 -8.546 4.389 1.00 44.21 C ATOM 325 O PRO A 21 -4.502 -7.328 4.465 1.00 41.33 O ATOM 326 CB PRO A 21 -6.539 -9.346 2.964 1.00 74.21 C ATOM 327 CG PRO A 21 -6.810 -10.802 3.221 1.00 25.21 C ATOM 328 CD PRO A 21 -5.584 -11.560 2.740 1.00 63.03 C ATOM 0 HA PRO A 21 -4.596 -8.544 2.290 1.00 23.11 H new ATOM 0 HB2 PRO A 21 -7.045 -8.716 3.696 1.00 74.21 H new ATOM 0 HB3 PRO A 21 -6.900 -9.046 1.981 1.00 74.21 H new ATOM 0 HG2 PRO A 21 -6.987 -10.983 4.281 1.00 25.21 H new ATOM 0 HG3 PRO A 21 -7.703 -11.130 2.689 1.00 25.21 H new ATOM 0 HD2 PRO A 21 -5.425 -12.474 3.312 1.00 63.03 H new ATOM 0 HD3 PRO A 21 -5.675 -11.850 1.693 1.00 63.03 H new ATOM 336 N GLU A 22 -4.307 -9.387 5.414 1.00 3.44 N ATOM 337 CA GLU A 22 -3.785 -8.952 6.724 1.00 2.53 C ATOM 338 C GLU A 22 -2.530 -8.082 6.503 1.00 33.54 C ATOM 339 O GLU A 22 -2.471 -6.922 6.918 1.00 4.52 O ATOM 340 CB GLU A 22 -3.453 -10.197 7.614 1.00 25.32 C ATOM 341 CG GLU A 22 -3.381 -9.936 9.143 1.00 51.23 C ATOM 342 CD GLU A 22 -2.098 -9.224 9.619 1.00 44.01 C ATOM 343 OE1 GLU A 22 -1.055 -9.895 9.751 1.00 25.41 O ATOM 344 OE2 GLU A 22 -2.111 -7.992 9.849 1.00 3.31 O ATOM 0 H GLU A 22 -4.442 -10.396 5.350 1.00 3.44 H new ATOM 0 HA GLU A 22 -4.539 -8.361 7.244 1.00 2.53 H new ATOM 0 HB2 GLU A 22 -4.207 -10.962 7.430 1.00 25.32 H new ATOM 0 HB3 GLU A 22 -2.497 -10.607 7.289 1.00 25.32 H new ATOM 0 HG2 GLU A 22 -4.242 -9.336 9.436 1.00 51.23 H new ATOM 0 HG3 GLU A 22 -3.465 -10.890 9.664 1.00 51.23 H new ATOM 351 N GLU A 23 -1.567 -8.674 5.776 1.00 64.41 N ATOM 352 CA GLU A 23 -0.308 -8.022 5.421 1.00 1.43 C ATOM 353 C GLU A 23 -0.544 -6.856 4.452 1.00 24.21 C ATOM 354 O GLU A 23 0.012 -5.787 4.653 1.00 22.50 O ATOM 355 CB GLU A 23 0.649 -9.055 4.804 1.00 30.22 C ATOM 356 CG GLU A 23 1.077 -10.187 5.752 1.00 20.12 C ATOM 357 CD GLU A 23 2.004 -11.200 5.065 1.00 75.00 C ATOM 358 OE1 GLU A 23 3.223 -10.939 4.963 1.00 3.42 O ATOM 359 OE2 GLU A 23 1.514 -12.245 4.608 1.00 2.03 O ATOM 0 H GLU A 23 -1.647 -9.626 5.418 1.00 64.41 H new ATOM 0 HA GLU A 23 0.142 -7.612 6.325 1.00 1.43 H new ATOM 0 HB2 GLU A 23 0.171 -9.495 3.929 1.00 30.22 H new ATOM 0 HB3 GLU A 23 1.542 -8.538 4.453 1.00 30.22 H new ATOM 0 HG2 GLU A 23 1.585 -9.761 6.617 1.00 20.12 H new ATOM 0 HG3 GLU A 23 0.191 -10.702 6.124 1.00 20.12 H new ATOM 366 N VAL A 24 -1.397 -7.068 3.418 1.00 14.13 N ATOM 367 CA VAL A 24 -1.660 -6.058 2.369 1.00 34.13 C ATOM 368 C VAL A 24 -2.144 -4.717 2.960 1.00 74.44 C ATOM 369 O VAL A 24 -1.629 -3.678 2.577 1.00 3.10 O ATOM 370 CB VAL A 24 -2.698 -6.576 1.295 1.00 12.34 C ATOM 371 CG1 VAL A 24 -3.220 -5.424 0.403 1.00 20.40 C ATOM 372 CG2 VAL A 24 -2.093 -7.692 0.417 1.00 43.45 C ATOM 0 H VAL A 24 -1.916 -7.937 3.291 1.00 14.13 H new ATOM 0 HA VAL A 24 -0.705 -5.888 1.872 1.00 34.13 H new ATOM 0 HB VAL A 24 -3.542 -6.990 1.847 1.00 12.34 H new ATOM 0 HG11 VAL A 24 -3.931 -5.819 -0.323 1.00 20.40 H new ATOM 0 HG12 VAL A 24 -3.714 -4.677 1.025 1.00 20.40 H new ATOM 0 HG13 VAL A 24 -2.384 -4.963 -0.123 1.00 20.40 H new ATOM 0 HG21 VAL A 24 -2.834 -8.025 -0.310 1.00 43.45 H new ATOM 0 HG22 VAL A 24 -1.217 -7.309 -0.107 1.00 43.45 H new ATOM 0 HG23 VAL A 24 -1.800 -8.532 1.047 1.00 43.45 H new ATOM 382 N GLU A 25 -3.113 -4.768 3.899 1.00 54.15 N ATOM 383 CA GLU A 25 -3.709 -3.558 4.521 1.00 20.04 C ATOM 384 C GLU A 25 -2.669 -2.813 5.368 1.00 44.44 C ATOM 385 O GLU A 25 -2.678 -1.582 5.431 1.00 3.11 O ATOM 386 CB GLU A 25 -4.928 -3.950 5.385 1.00 21.43 C ATOM 387 CG GLU A 25 -6.056 -4.654 4.597 1.00 25.04 C ATOM 388 CD GLU A 25 -7.216 -5.089 5.496 1.00 10.10 C ATOM 389 OE1 GLU A 25 -8.138 -4.275 5.740 1.00 33.31 O ATOM 390 OE2 GLU A 25 -7.205 -6.241 5.984 1.00 54.34 O ATOM 0 H GLU A 25 -3.505 -5.643 4.248 1.00 54.15 H new ATOM 0 HA GLU A 25 -4.041 -2.890 3.727 1.00 20.04 H new ATOM 0 HB2 GLU A 25 -4.595 -4.607 6.188 1.00 21.43 H new ATOM 0 HB3 GLU A 25 -5.332 -3.053 5.854 1.00 21.43 H new ATOM 0 HG2 GLU A 25 -6.431 -3.981 3.826 1.00 25.04 H new ATOM 0 HG3 GLU A 25 -5.648 -5.527 4.087 1.00 25.04 H new ATOM 397 N LYS A 26 -1.769 -3.594 5.994 1.00 65.13 N ATOM 398 CA LYS A 26 -0.631 -3.080 6.762 1.00 1.22 C ATOM 399 C LYS A 26 0.334 -2.327 5.834 1.00 4.21 C ATOM 400 O LYS A 26 0.771 -1.217 6.149 1.00 30.21 O ATOM 401 CB LYS A 26 0.090 -4.256 7.465 1.00 0.44 C ATOM 402 CG LYS A 26 1.381 -3.880 8.226 1.00 24.40 C ATOM 403 CD LYS A 26 2.119 -5.124 8.760 1.00 34.31 C ATOM 404 CE LYS A 26 3.446 -4.786 9.448 1.00 71.32 C ATOM 405 NZ LYS A 26 4.116 -5.997 9.984 1.00 13.23 N ATOM 0 H LYS A 26 -1.817 -4.613 5.977 1.00 65.13 H new ATOM 0 HA LYS A 26 -0.988 -2.383 7.520 1.00 1.22 H new ATOM 0 HB2 LYS A 26 -0.604 -4.718 8.167 1.00 0.44 H new ATOM 0 HB3 LYS A 26 0.336 -5.009 6.717 1.00 0.44 H new ATOM 0 HG2 LYS A 26 2.043 -3.322 7.564 1.00 24.40 H new ATOM 0 HG3 LYS A 26 1.133 -3.221 9.058 1.00 24.40 H new ATOM 0 HD2 LYS A 26 1.474 -5.647 9.466 1.00 34.31 H new ATOM 0 HD3 LYS A 26 2.309 -5.809 7.934 1.00 34.31 H new ATOM 0 HE2 LYS A 26 4.107 -4.290 8.738 1.00 71.32 H new ATOM 0 HE3 LYS A 26 3.265 -4.082 10.260 1.00 71.32 H new ATOM 0 HZ1 LYS A 26 5.010 -5.726 10.441 1.00 13.23 H new ATOM 0 HZ2 LYS A 26 3.496 -6.457 10.681 1.00 13.23 H new ATOM 0 HZ3 LYS A 26 4.312 -6.658 9.206 1.00 13.23 H new ATOM 419 N GLU A 27 0.624 -2.936 4.671 1.00 3.22 N ATOM 420 CA GLU A 27 1.529 -2.362 3.670 1.00 71.44 C ATOM 421 C GLU A 27 0.864 -1.163 2.981 1.00 24.10 C ATOM 422 O GLU A 27 1.525 -0.189 2.658 1.00 74.12 O ATOM 423 CB GLU A 27 1.926 -3.428 2.610 1.00 53.45 C ATOM 424 CG GLU A 27 2.522 -4.735 3.168 1.00 31.03 C ATOM 425 CD GLU A 27 3.805 -4.545 3.993 1.00 34.21 C ATOM 426 OE1 GLU A 27 4.898 -4.482 3.393 1.00 25.51 O ATOM 427 OE2 GLU A 27 3.734 -4.474 5.237 1.00 33.24 O ATOM 0 H GLU A 27 0.236 -3.840 4.402 1.00 3.22 H new ATOM 0 HA GLU A 27 2.432 -2.026 4.179 1.00 71.44 H new ATOM 0 HB2 GLU A 27 1.042 -3.675 2.022 1.00 53.45 H new ATOM 0 HB3 GLU A 27 2.649 -2.983 1.927 1.00 53.45 H new ATOM 0 HG2 GLU A 27 1.773 -5.225 3.790 1.00 31.03 H new ATOM 0 HG3 GLU A 27 2.735 -5.407 2.337 1.00 31.03 H new ATOM 434 N ALA A 28 -0.471 -1.250 2.813 1.00 75.22 N ATOM 435 CA ALA A 28 -1.256 -0.267 2.064 1.00 21.45 C ATOM 436 C ALA A 28 -1.244 1.081 2.772 1.00 40.20 C ATOM 437 O ALA A 28 -0.916 2.098 2.160 1.00 45.12 O ATOM 438 CB ALA A 28 -2.693 -0.763 1.831 1.00 5.33 C ATOM 0 H ALA A 28 -1.031 -2.011 3.198 1.00 75.22 H new ATOM 0 HA ALA A 28 -0.793 -0.138 1.086 1.00 21.45 H new ATOM 0 HB1 ALA A 28 -3.251 -0.012 1.272 1.00 5.33 H new ATOM 0 HB2 ALA A 28 -2.669 -1.693 1.264 1.00 5.33 H new ATOM 0 HB3 ALA A 28 -3.178 -0.936 2.791 1.00 5.33 H new ATOM 444 N ARG A 29 -1.564 1.066 4.078 1.00 21.33 N ATOM 445 CA ARG A 29 -1.599 2.286 4.887 1.00 23.55 C ATOM 446 C ARG A 29 -0.178 2.860 5.053 1.00 14.45 C ATOM 447 O ARG A 29 0.054 4.006 4.683 1.00 3.43 O ATOM 448 CB ARG A 29 -2.296 2.035 6.260 1.00 31.34 C ATOM 449 CG ARG A 29 -1.645 0.958 7.163 1.00 42.44 C ATOM 450 CD ARG A 29 -2.408 0.736 8.481 1.00 51.15 C ATOM 451 NE ARG A 29 -1.826 -0.340 9.302 1.00 4.23 N ATOM 452 CZ ARG A 29 -2.382 -1.551 9.512 1.00 32.14 C ATOM 453 NH1 ARG A 29 -3.549 -1.881 8.953 1.00 43.53 N ATOM 454 NH2 ARG A 29 -1.763 -2.429 10.290 1.00 70.33 N ATOM 0 H ARG A 29 -1.802 0.218 4.592 1.00 21.33 H new ATOM 0 HA ARG A 29 -2.198 3.032 4.365 1.00 23.55 H new ATOM 0 HB2 ARG A 29 -2.321 2.976 6.810 1.00 31.34 H new ATOM 0 HB3 ARG A 29 -3.331 1.747 6.073 1.00 31.34 H new ATOM 0 HG2 ARG A 29 -1.594 0.016 6.616 1.00 42.44 H new ATOM 0 HG3 ARG A 29 -0.620 1.252 7.388 1.00 42.44 H new ATOM 0 HD2 ARG A 29 -2.412 1.663 9.054 1.00 51.15 H new ATOM 0 HD3 ARG A 29 -3.447 0.495 8.258 1.00 51.15 H new ATOM 0 HE ARG A 29 -0.928 -0.154 9.749 1.00 4.23 H new ATOM 0 HH11 ARG A 29 -4.035 -1.213 8.356 1.00 43.53 H new ATOM 0 HH12 ARG A 29 -3.954 -2.802 9.123 1.00 43.53 H new ATOM 0 HH21 ARG A 29 -0.873 -2.187 10.725 1.00 70.33 H new ATOM 0 HH22 ARG A 29 -2.177 -3.347 10.453 1.00 70.33 H new ATOM 468 N ARG A 30 0.778 2.027 5.512 1.00 42.11 N ATOM 469 CA ARG A 30 2.130 2.479 5.893 1.00 32.35 C ATOM 470 C ARG A 30 2.910 3.049 4.694 1.00 75.15 C ATOM 471 O ARG A 30 3.615 4.047 4.853 1.00 44.13 O ATOM 472 CB ARG A 30 2.920 1.320 6.543 1.00 74.52 C ATOM 473 CG ARG A 30 2.420 0.857 7.934 1.00 32.45 C ATOM 474 CD ARG A 30 2.617 1.894 9.066 1.00 44.21 C ATOM 475 NE ARG A 30 1.461 2.798 9.246 1.00 65.02 N ATOM 476 CZ ARG A 30 0.795 2.975 10.412 1.00 62.24 C ATOM 477 NH1 ARG A 30 1.157 2.319 11.522 1.00 71.02 N ATOM 478 NH2 ARG A 30 -0.217 3.824 10.465 1.00 21.41 N ATOM 0 H ARG A 30 0.634 1.024 5.629 1.00 42.11 H new ATOM 0 HA ARG A 30 2.011 3.285 6.617 1.00 32.35 H new ATOM 0 HB2 ARG A 30 2.896 0.465 5.867 1.00 74.52 H new ATOM 0 HB3 ARG A 30 3.963 1.624 6.636 1.00 74.52 H new ATOM 0 HG2 ARG A 30 1.360 0.614 7.862 1.00 32.45 H new ATOM 0 HG3 ARG A 30 2.940 -0.061 8.206 1.00 32.45 H new ATOM 0 HD2 ARG A 30 2.805 1.367 10.002 1.00 44.21 H new ATOM 0 HD3 ARG A 30 3.504 2.490 8.852 1.00 44.21 H new ATOM 0 HE ARG A 30 1.142 3.326 8.434 1.00 65.02 H new ATOM 0 HH11 ARG A 30 1.946 1.673 11.498 1.00 71.02 H new ATOM 0 HH12 ARG A 30 0.643 2.465 12.391 1.00 71.02 H new ATOM 0 HH21 ARG A 30 -0.493 4.342 9.630 1.00 21.41 H new ATOM 0 HH22 ARG A 30 -0.722 3.961 11.340 1.00 21.41 H new ATOM 492 N THR A 31 2.780 2.412 3.510 1.00 11.11 N ATOM 493 CA THR A 31 3.460 2.870 2.286 1.00 21.23 C ATOM 494 C THR A 31 2.921 4.247 1.859 1.00 34.31 C ATOM 495 O THR A 31 3.704 5.182 1.672 1.00 34.50 O ATOM 496 CB THR A 31 3.319 1.847 1.109 1.00 5.21 C ATOM 497 OG1 THR A 31 3.877 0.575 1.492 1.00 45.53 O ATOM 498 CG2 THR A 31 4.018 2.327 -0.183 1.00 24.34 C ATOM 0 H THR A 31 2.208 1.577 3.379 1.00 11.11 H new ATOM 0 HA THR A 31 4.522 2.952 2.519 1.00 21.23 H new ATOM 0 HB THR A 31 2.253 1.754 0.901 1.00 5.21 H new ATOM 0 HG1 THR A 31 3.200 0.051 1.968 1.00 45.53 H new ATOM 0 HG21 THR A 31 3.889 1.580 -0.966 1.00 24.34 H new ATOM 0 HG22 THR A 31 3.578 3.271 -0.506 1.00 24.34 H new ATOM 0 HG23 THR A 31 5.081 2.470 0.010 1.00 24.34 H new ATOM 506 N LYS A 32 1.570 4.367 1.776 1.00 3.15 N ATOM 507 CA LYS A 32 0.920 5.618 1.366 1.00 63.00 C ATOM 508 C LYS A 32 1.329 6.771 2.293 1.00 11.22 C ATOM 509 O LYS A 32 1.810 7.796 1.818 1.00 21.03 O ATOM 510 CB LYS A 32 -0.619 5.515 1.372 1.00 42.31 C ATOM 511 CG LYS A 32 -1.249 4.582 0.315 1.00 42.11 C ATOM 512 CD LYS A 32 -2.779 4.780 0.277 1.00 10.41 C ATOM 513 CE LYS A 32 -3.515 3.773 -0.594 1.00 33.13 C ATOM 514 NZ LYS A 32 -4.984 3.996 -0.583 1.00 72.02 N ATOM 0 H LYS A 32 0.921 3.610 1.989 1.00 3.15 H new ATOM 0 HA LYS A 32 1.252 5.811 0.346 1.00 63.00 H new ATOM 0 HB2 LYS A 32 -0.935 5.176 2.359 1.00 42.31 H new ATOM 0 HB3 LYS A 32 -1.029 6.515 1.232 1.00 42.31 H new ATOM 0 HG2 LYS A 32 -0.823 4.791 -0.666 1.00 42.11 H new ATOM 0 HG3 LYS A 32 -1.015 3.544 0.549 1.00 42.11 H new ATOM 0 HD2 LYS A 32 -3.168 4.718 1.293 1.00 10.41 H new ATOM 0 HD3 LYS A 32 -2.996 5.785 -0.086 1.00 10.41 H new ATOM 0 HE2 LYS A 32 -3.146 3.841 -1.617 1.00 33.13 H new ATOM 0 HE3 LYS A 32 -3.299 2.764 -0.243 1.00 33.13 H new ATOM 0 HZ1 LYS A 32 -5.447 3.289 -1.189 1.00 72.02 H new ATOM 0 HZ2 LYS A 32 -5.341 3.906 0.389 1.00 72.02 H new ATOM 0 HZ3 LYS A 32 -5.193 4.949 -0.942 1.00 72.02 H new ATOM 528 N GLU A 33 1.154 6.545 3.616 1.00 22.04 N ATOM 529 CA GLU A 33 1.394 7.552 4.665 1.00 31.25 C ATOM 530 C GLU A 33 2.841 8.050 4.634 1.00 21.12 C ATOM 531 O GLU A 33 3.069 9.255 4.576 1.00 22.32 O ATOM 532 CB GLU A 33 1.062 6.968 6.065 1.00 51.20 C ATOM 533 CG GLU A 33 -0.430 6.610 6.277 1.00 22.40 C ATOM 534 CD GLU A 33 -0.679 5.891 7.611 1.00 22.15 C ATOM 535 OE1 GLU A 33 -0.375 4.688 7.704 1.00 70.35 O ATOM 536 OE2 GLU A 33 -1.144 6.527 8.584 1.00 34.44 O ATOM 0 H GLU A 33 0.839 5.648 3.984 1.00 22.04 H new ATOM 0 HA GLU A 33 0.737 8.400 4.469 1.00 31.25 H new ATOM 0 HB2 GLU A 33 1.663 6.072 6.222 1.00 51.20 H new ATOM 0 HB3 GLU A 33 1.360 7.690 6.825 1.00 51.20 H new ATOM 0 HG2 GLU A 33 -1.027 7.521 6.242 1.00 22.40 H new ATOM 0 HG3 GLU A 33 -0.768 5.976 5.458 1.00 22.40 H new ATOM 543 N GLU A 34 3.803 7.105 4.610 1.00 13.04 N ATOM 544 CA GLU A 34 5.243 7.422 4.667 1.00 53.44 C ATOM 545 C GLU A 34 5.673 8.266 3.451 1.00 33.30 C ATOM 546 O GLU A 34 6.463 9.200 3.583 1.00 1.01 O ATOM 547 CB GLU A 34 6.070 6.120 4.774 1.00 11.42 C ATOM 548 CG GLU A 34 7.580 6.336 4.990 1.00 3.22 C ATOM 549 CD GLU A 34 8.329 5.042 5.327 1.00 62.30 C ATOM 550 OE1 GLU A 34 8.777 4.349 4.400 1.00 71.44 O ATOM 551 OE2 GLU A 34 8.463 4.708 6.524 1.00 25.13 O ATOM 0 H GLU A 34 3.604 6.106 4.551 1.00 13.04 H new ATOM 0 HA GLU A 34 5.433 8.020 5.558 1.00 53.44 H new ATOM 0 HB2 GLU A 34 5.680 5.524 5.599 1.00 11.42 H new ATOM 0 HB3 GLU A 34 5.926 5.538 3.864 1.00 11.42 H new ATOM 0 HG2 GLU A 34 8.011 6.775 4.090 1.00 3.22 H new ATOM 0 HG3 GLU A 34 7.727 7.055 5.796 1.00 3.22 H new ATOM 558 N GLU A 35 5.120 7.933 2.274 1.00 71.50 N ATOM 559 CA GLU A 35 5.302 8.727 1.045 1.00 51.44 C ATOM 560 C GLU A 35 4.539 10.062 1.114 1.00 74.30 C ATOM 561 O GLU A 35 4.989 11.070 0.561 1.00 40.41 O ATOM 562 CB GLU A 35 4.867 7.889 -0.194 1.00 60.34 C ATOM 563 CG GLU A 35 5.987 7.016 -0.813 1.00 20.13 C ATOM 564 CD GLU A 35 6.702 6.071 0.178 1.00 34.42 C ATOM 565 OE1 GLU A 35 6.239 4.934 0.362 1.00 20.42 O ATOM 566 OE2 GLU A 35 7.746 6.457 0.759 1.00 55.00 O ATOM 0 H GLU A 35 4.535 7.107 2.146 1.00 71.50 H new ATOM 0 HA GLU A 35 6.359 8.973 0.947 1.00 51.44 H new ATOM 0 HB2 GLU A 35 4.039 7.242 0.095 1.00 60.34 H new ATOM 0 HB3 GLU A 35 4.489 8.567 -0.959 1.00 60.34 H new ATOM 0 HG2 GLU A 35 5.558 6.418 -1.617 1.00 20.13 H new ATOM 0 HG3 GLU A 35 6.730 7.672 -1.266 1.00 20.13 H new ATOM 573 N CYS A 36 3.404 10.070 1.828 1.00 50.42 N ATOM 574 CA CYS A 36 2.479 11.224 1.862 1.00 41.31 C ATOM 575 C CYS A 36 2.949 12.301 2.840 1.00 15.23 C ATOM 576 O CYS A 36 2.526 13.457 2.730 1.00 75.10 O ATOM 577 CB CYS A 36 1.072 10.746 2.274 1.00 23.41 C ATOM 578 SG CYS A 36 -0.210 12.029 2.202 1.00 45.12 S ATOM 0 H CYS A 36 3.098 9.282 2.398 1.00 50.42 H new ATOM 0 HA CYS A 36 2.456 11.660 0.863 1.00 41.31 H new ATOM 0 HB2 CYS A 36 0.778 9.920 1.626 1.00 23.41 H new ATOM 0 HB3 CYS A 36 1.118 10.353 3.290 1.00 23.41 H new