USER MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=12 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 Single : A 3 THR OG1 : rot 33:sc= 0.117 USER MOD Single : A 4 ASN : amide:sc= -0.654 X(o=-0.65,f=-0.3) USER MOD Single : A 6 SER OG : rot 180:sc= -0.0718 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 11 LYS NZ :NH3+ -156:sc= -0.0651 (180deg=-0.522) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0156 USER MOD Single : A 18 GLN : amide:sc= -0.0107 X(o=-0.011,f=-0.43) USER MOD Single : A 21 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-3) USER MOD Single : A 22 ASN : amide:sc= -0.392 X(o=-0.39,f=0.0022) USER MOD Single : A 23 THR OG1 : rot -140:sc= -0.07 USER MOD Single : A 24 SER OG : rot 180:sc= -0.299 USER MOD Single : A 27 LYS NZ :NH3+ 138:sc= -0.385 (180deg=-0.858) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.445 K(o=0.45,f=-4.8!) USER MOD Single : A 31 LYS NZ :NH3+ -161:sc= -0.0552 (180deg=-0.465) USER MOD Single : A 32 LYS NZ :NH3+ -112:sc= 0.0945 (180deg=-0.8) USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 2 2.631 3.121 0.204 1.00 20.00 N ATOM 16 CA PHE A 2 3.204 4.101 -0.751 1.00 20.00 C ATOM 17 C PHE A 2 4.014 3.424 -1.847 1.00 20.00 C ATOM 18 O PHE A 2 4.477 2.309 -1.706 1.00 20.00 O ATOM 19 CB PHE A 2 4.105 5.056 0.008 1.00 20.00 C ATOM 20 CG PHE A 2 3.366 5.599 1.232 1.00 20.00 C ATOM 21 CD1 PHE A 2 2.265 6.425 1.096 1.00 20.00 C ATOM 22 CD2 PHE A 2 3.807 5.267 2.498 1.00 20.00 C ATOM 23 CE1 PHE A 2 1.613 6.906 2.215 1.00 20.00 C ATOM 24 CE2 PHE A 2 3.156 5.748 3.616 1.00 20.00 C ATOM 25 CZ PHE A 2 2.060 6.569 3.475 1.00 20.00 C ATOM 0 HA PHE A 2 2.378 4.632 -1.224 1.00 20.00 H new ATOM 0 HB2 PHE A 2 5.015 4.543 0.319 1.00 20.00 H new ATOM 0 HB3 PHE A 2 4.408 5.878 -0.640 1.00 20.00 H new ATOM 0 HD1 PHE A 2 1.914 6.695 0.111 1.00 20.00 H new ATOM 0 HD2 PHE A 2 4.668 4.626 2.614 1.00 20.00 H new ATOM 0 HE1 PHE A 2 0.751 7.547 2.103 1.00 20.00 H new ATOM 0 HE2 PHE A 2 3.507 5.480 4.602 1.00 20.00 H new ATOM 0 HZ PHE A 2 1.552 6.948 4.349 1.00 20.00 H new ATOM 35 N THR A 3 4.141 4.153 -2.920 1.00 20.00 N ATOM 36 CA THR A 3 4.906 3.681 -4.104 1.00 20.00 C ATOM 37 C THR A 3 5.567 4.922 -4.704 1.00 20.00 C ATOM 38 O THR A 3 4.952 5.962 -4.839 1.00 20.00 O ATOM 39 CB THR A 3 3.964 3.049 -5.132 1.00 20.00 C ATOM 40 OG1 THR A 3 2.889 3.968 -5.229 1.00 20.00 O ATOM 41 CG2 THR A 3 3.354 1.738 -4.612 1.00 20.00 C ATOM 0 H THR A 3 3.734 5.082 -3.026 1.00 20.00 H new ATOM 0 HA THR A 3 5.641 2.927 -3.822 1.00 20.00 H new ATOM 0 HB THR A 3 4.497 2.844 -6.061 1.00 20.00 H new ATOM 0 HG1 THR A 3 3.223 4.878 -5.089 1.00 20.00 H new ATOM 0 HG21 THR A 3 2.691 1.319 -5.369 1.00 20.00 H new ATOM 0 HG22 THR A 3 4.151 1.027 -4.394 1.00 20.00 H new ATOM 0 HG23 THR A 3 2.786 1.936 -3.703 1.00 20.00 H new ATOM 49 N ASN A 4 6.817 4.779 -5.051 1.00 20.00 N ATOM 50 CA ASN A 4 7.571 5.928 -5.645 1.00 20.00 C ATOM 51 C ASN A 4 7.287 6.029 -7.154 1.00 20.00 C ATOM 52 O ASN A 4 8.006 6.666 -7.897 1.00 20.00 O ATOM 53 CB ASN A 4 9.065 5.687 -5.366 1.00 20.00 C ATOM 54 CG ASN A 4 9.891 6.922 -5.745 1.00 20.00 C ATOM 55 OD1 ASN A 4 9.947 7.896 -5.020 1.00 20.00 O ATOM 56 ND2 ASN A 4 10.544 6.923 -6.876 1.00 20.00 N ATOM 0 H ASN A 4 7.352 3.917 -4.950 1.00 20.00 H new ATOM 0 HA ASN A 4 7.260 6.874 -5.201 1.00 20.00 H new ATOM 0 HB2 ASN A 4 9.211 5.455 -4.311 1.00 20.00 H new ATOM 0 HB3 ASN A 4 9.412 4.823 -5.933 1.00 20.00 H new ATOM 0 HD21 ASN A 4 11.096 7.737 -7.145 1.00 20.00 H new ATOM 0 HD22 ASN A 4 10.502 6.109 -7.490 1.00 20.00 H new ATOM 63 N VAL A 5 6.230 5.390 -7.568 1.00 20.00 N ATOM 64 CA VAL A 5 5.845 5.405 -9.007 1.00 20.00 C ATOM 65 C VAL A 5 5.003 6.629 -9.385 1.00 20.00 C ATOM 66 O VAL A 5 3.996 6.869 -8.759 1.00 20.00 O ATOM 67 CB VAL A 5 5.066 4.113 -9.291 1.00 20.00 C ATOM 68 CG1 VAL A 5 4.447 4.154 -10.696 1.00 20.00 C ATOM 69 CG2 VAL A 5 6.048 2.934 -9.244 1.00 20.00 C ATOM 0 H VAL A 5 5.609 4.852 -6.964 1.00 20.00 H new ATOM 0 HA VAL A 5 6.749 5.465 -9.612 1.00 20.00 H new ATOM 0 HB VAL A 5 4.275 4.006 -8.548 1.00 20.00 H new ATOM 0 HG11 VAL A 5 3.899 3.230 -10.879 1.00 20.00 H new ATOM 0 HG12 VAL A 5 3.765 5.001 -10.768 1.00 20.00 H new ATOM 0 HG13 VAL A 5 5.238 4.260 -11.439 1.00 20.00 H new ATOM 0 HG21 VAL A 5 5.512 2.006 -9.444 1.00 20.00 H new ATOM 0 HG22 VAL A 5 6.822 3.075 -9.998 1.00 20.00 H new ATOM 0 HG23 VAL A 5 6.508 2.882 -8.257 1.00 20.00 H new ATOM 79 N SER A 6 5.407 7.380 -10.379 1.00 20.00 N ATOM 80 CA SER A 6 4.595 8.569 -10.764 1.00 20.00 C ATOM 81 C SER A 6 3.496 8.046 -11.689 1.00 20.00 C ATOM 82 O SER A 6 3.593 6.935 -12.172 1.00 20.00 O ATOM 83 CB SER A 6 5.484 9.562 -11.498 1.00 20.00 C ATOM 84 OG SER A 6 4.634 10.678 -11.721 1.00 20.00 O ATOM 0 H SER A 6 6.250 7.223 -10.931 1.00 20.00 H new ATOM 0 HA SER A 6 4.167 9.077 -9.900 1.00 20.00 H new ATOM 0 HB2 SER A 6 6.355 9.835 -10.902 1.00 20.00 H new ATOM 0 HB3 SER A 6 5.856 9.149 -12.436 1.00 20.00 H new ATOM 0 HG SER A 6 5.131 11.378 -12.194 1.00 20.00 H new ATOM 90 N CYS A 7 2.479 8.825 -11.929 1.00 20.00 N ATOM 91 CA CYS A 7 1.407 8.306 -12.827 1.00 20.00 C ATOM 92 C CYS A 7 0.524 9.396 -13.437 1.00 20.00 C ATOM 93 O CYS A 7 0.314 10.444 -12.859 1.00 20.00 O ATOM 94 CB CYS A 7 0.603 7.330 -11.979 1.00 20.00 C ATOM 95 SG CYS A 7 0.314 7.935 -10.299 1.00 20.00 S ATOM 0 H CYS A 7 2.343 9.766 -11.559 1.00 20.00 H new ATOM 0 HA CYS A 7 1.850 7.825 -13.699 1.00 20.00 H new ATOM 0 HB2 CYS A 7 -0.356 7.140 -12.462 1.00 20.00 H new ATOM 0 HB3 CYS A 7 1.130 6.377 -11.932 1.00 20.00 H new ATOM 100 N THR A 8 0.039 9.091 -14.610 1.00 20.00 N ATOM 101 CA THR A 8 -0.840 10.042 -15.344 1.00 20.00 C ATOM 102 C THR A 8 -2.267 9.494 -15.344 1.00 20.00 C ATOM 103 O THR A 8 -3.227 10.229 -15.227 1.00 20.00 O ATOM 104 CB THR A 8 -0.306 10.180 -16.775 1.00 20.00 C ATOM 105 OG1 THR A 8 -0.291 8.855 -17.281 1.00 20.00 O ATOM 106 CG2 THR A 8 1.175 10.596 -16.767 1.00 20.00 C ATOM 0 H THR A 8 0.218 8.212 -15.096 1.00 20.00 H new ATOM 0 HA THR A 8 -0.846 11.023 -14.868 1.00 20.00 H new ATOM 0 HB THR A 8 -0.904 10.901 -17.332 1.00 20.00 H new ATOM 0 HG1 THR A 8 0.041 8.861 -18.203 1.00 20.00 H new ATOM 0 HG21 THR A 8 1.533 10.688 -17.793 1.00 20.00 H new ATOM 0 HG22 THR A 8 1.281 11.554 -16.259 1.00 20.00 H new ATOM 0 HG23 THR A 8 1.762 9.841 -16.244 1.00 20.00 H new ATOM 114 N THR A 9 -2.350 8.196 -15.474 1.00 20.00 N ATOM 115 CA THR A 9 -3.677 7.510 -15.491 1.00 20.00 C ATOM 116 C THR A 9 -3.716 6.403 -14.434 1.00 20.00 C ATOM 117 O THR A 9 -2.778 5.650 -14.264 1.00 20.00 O ATOM 118 CB THR A 9 -3.916 6.898 -16.874 1.00 20.00 C ATOM 119 OG1 THR A 9 -2.802 6.048 -17.089 1.00 20.00 O ATOM 120 CG2 THR A 9 -3.794 7.937 -17.995 1.00 20.00 C ATOM 0 H THR A 9 -1.547 7.575 -15.570 1.00 20.00 H new ATOM 0 HA THR A 9 -4.455 8.240 -15.269 1.00 20.00 H new ATOM 0 HB THR A 9 -4.903 6.436 -16.894 1.00 20.00 H new ATOM 0 HG1 THR A 9 -2.886 5.614 -17.964 1.00 20.00 H new ATOM 0 HG21 THR A 9 -3.971 7.457 -18.957 1.00 20.00 H new ATOM 0 HG22 THR A 9 -4.531 8.726 -17.842 1.00 20.00 H new ATOM 0 HG23 THR A 9 -2.793 8.368 -17.984 1.00 20.00 H new ATOM 128 N SER A 10 -4.821 6.329 -13.743 1.00 20.00 N ATOM 129 CA SER A 10 -4.970 5.289 -12.683 1.00 20.00 C ATOM 130 C SER A 10 -4.798 3.865 -13.234 1.00 20.00 C ATOM 131 O SER A 10 -4.491 2.948 -12.496 1.00 20.00 O ATOM 132 CB SER A 10 -6.348 5.457 -12.059 1.00 20.00 C ATOM 133 OG SER A 10 -6.357 6.823 -11.671 1.00 20.00 O ATOM 0 H SER A 10 -5.627 6.943 -13.866 1.00 20.00 H new ATOM 0 HA SER A 10 -4.186 5.424 -11.938 1.00 20.00 H new ATOM 0 HB2 SER A 10 -7.143 5.234 -12.770 1.00 20.00 H new ATOM 0 HB3 SER A 10 -6.488 4.794 -11.205 1.00 20.00 H new ATOM 0 HG SER A 10 -7.217 7.039 -11.253 1.00 20.00 H new ATOM 139 N LYS A 11 -4.994 3.712 -14.518 1.00 20.00 N ATOM 140 CA LYS A 11 -4.845 2.363 -15.149 1.00 20.00 C ATOM 141 C LYS A 11 -3.498 1.761 -14.736 1.00 20.00 C ATOM 142 O LYS A 11 -3.365 0.595 -14.421 1.00 20.00 O ATOM 143 CB LYS A 11 -4.878 2.505 -16.668 1.00 20.00 C ATOM 144 CG LYS A 11 -6.293 2.778 -17.179 1.00 20.00 C ATOM 145 CD LYS A 11 -6.166 3.082 -18.677 1.00 20.00 C ATOM 146 CE LYS A 11 -7.535 3.006 -19.355 1.00 20.00 C ATOM 147 NZ LYS A 11 -8.016 1.595 -19.352 1.00 20.00 N ATOM 0 H LYS A 11 -5.251 4.463 -15.159 1.00 20.00 H new ATOM 0 HA LYS A 11 -5.660 1.717 -14.822 1.00 20.00 H new ATOM 0 HB2 LYS A 11 -4.218 3.317 -16.972 1.00 20.00 H new ATOM 0 HB3 LYS A 11 -4.495 1.594 -17.127 1.00 20.00 H new ATOM 0 HG2 LYS A 11 -6.939 1.916 -17.012 1.00 20.00 H new ATOM 0 HG3 LYS A 11 -6.741 3.619 -16.649 1.00 20.00 H new ATOM 0 HD2 LYS A 11 -5.738 4.074 -18.818 1.00 20.00 H new ATOM 0 HD3 LYS A 11 -5.483 2.371 -19.142 1.00 20.00 H new ATOM 0 HE2 LYS A 11 -8.247 3.645 -18.832 1.00 20.00 H new ATOM 0 HE3 LYS A 11 -7.467 3.375 -20.378 1.00 20.00 H new ATOM 0 HZ1 LYS A 11 -8.698 1.459 -20.125 1.00 20.00 H new ATOM 0 HZ2 LYS A 11 -7.209 0.953 -19.486 1.00 20.00 H new ATOM 0 HZ3 LYS A 11 -8.477 1.387 -18.443 1.00 20.00 H new ATOM 161 N GLU A 12 -2.524 2.625 -14.745 1.00 20.00 N ATOM 162 CA GLU A 12 -1.146 2.226 -14.376 1.00 20.00 C ATOM 163 C GLU A 12 -1.005 1.910 -12.898 1.00 20.00 C ATOM 164 O GLU A 12 -0.402 0.918 -12.532 1.00 20.00 O ATOM 165 CB GLU A 12 -0.235 3.372 -14.790 1.00 20.00 C ATOM 166 CG GLU A 12 1.103 3.269 -14.062 1.00 20.00 C ATOM 167 CD GLU A 12 2.058 4.311 -14.644 1.00 20.00 C ATOM 168 OE1 GLU A 12 1.696 5.472 -14.547 1.00 20.00 O ATOM 169 OE2 GLU A 12 3.087 3.891 -15.147 1.00 20.00 O ATOM 0 H GLU A 12 -2.630 3.608 -14.998 1.00 20.00 H new ATOM 0 HA GLU A 12 -0.876 1.303 -14.889 1.00 20.00 H new ATOM 0 HB2 GLU A 12 -0.074 3.348 -15.868 1.00 20.00 H new ATOM 0 HB3 GLU A 12 -0.710 4.326 -14.560 1.00 20.00 H new ATOM 0 HG2 GLU A 12 0.966 3.437 -12.994 1.00 20.00 H new ATOM 0 HG3 GLU A 12 1.520 2.268 -14.177 1.00 20.00 H new ATOM 176 N CYS A 13 -1.568 2.757 -12.082 1.00 20.00 N ATOM 177 CA CYS A 13 -1.466 2.504 -10.621 1.00 20.00 C ATOM 178 C CYS A 13 -1.894 1.096 -10.266 1.00 20.00 C ATOM 179 O CYS A 13 -1.257 0.431 -9.478 1.00 20.00 O ATOM 180 CB CYS A 13 -2.364 3.437 -9.827 1.00 20.00 C ATOM 181 SG CYS A 13 -1.841 5.101 -9.396 1.00 20.00 S ATOM 0 H CYS A 13 -2.082 3.594 -12.356 1.00 20.00 H new ATOM 0 HA CYS A 13 -0.418 2.666 -10.370 1.00 20.00 H new ATOM 0 HB2 CYS A 13 -3.295 3.532 -10.386 1.00 20.00 H new ATOM 0 HB3 CYS A 13 -2.603 2.928 -8.893 1.00 20.00 H new ATOM 186 N TRP A 14 -2.965 0.672 -10.867 1.00 20.00 N ATOM 187 CA TRP A 14 -3.460 -0.697 -10.571 1.00 20.00 C ATOM 188 C TRP A 14 -2.438 -1.793 -10.804 1.00 20.00 C ATOM 189 O TRP A 14 -2.087 -2.481 -9.866 1.00 20.00 O ATOM 190 CB TRP A 14 -4.701 -0.920 -11.420 1.00 20.00 C ATOM 191 CG TRP A 14 -5.837 -0.285 -10.626 1.00 20.00 C ATOM 192 CD1 TRP A 14 -5.851 0.987 -10.140 1.00 20.00 C ATOM 193 CD2 TRP A 14 -6.978 -0.901 -10.278 1.00 20.00 C ATOM 194 NE1 TRP A 14 -7.014 1.046 -9.523 1.00 20.00 N ATOM 195 CE2 TRP A 14 -7.770 -0.042 -9.550 1.00 20.00 C ATOM 196 CE3 TRP A 14 -7.403 -2.183 -10.544 1.00 20.00 C ATOM 197 CZ2 TRP A 14 -8.997 -0.468 -9.086 1.00 20.00 C ATOM 198 CZ3 TRP A 14 -8.627 -2.612 -10.082 1.00 20.00 C ATOM 199 CH2 TRP A 14 -9.425 -1.754 -9.352 1.00 20.00 C ATOM 0 H TRP A 14 -3.514 1.205 -11.542 1.00 20.00 H new ATOM 0 HA TRP A 14 -3.683 -0.758 -9.506 1.00 20.00 H new ATOM 0 HB2 TRP A 14 -4.597 -0.457 -12.401 1.00 20.00 H new ATOM 0 HB3 TRP A 14 -4.881 -1.982 -11.586 1.00 20.00 H new ATOM 0 HD1 TRP A 14 -5.098 1.755 -10.236 1.00 20.00 H new ATOM 0 HE1 TRP A 14 -7.319 1.894 -9.045 1.00 20.00 H new ATOM 0 HE3 TRP A 14 -6.776 -2.852 -11.115 1.00 20.00 H new ATOM 0 HZ2 TRP A 14 -9.622 0.203 -8.516 1.00 20.00 H new ATOM 0 HZ3 TRP A 14 -8.962 -3.617 -10.290 1.00 20.00 H new ATOM 0 HH2 TRP A 14 -10.385 -2.089 -8.988 1.00 20.00 H new ATOM 210 N SER A 15 -1.984 -1.930 -12.019 1.00 20.00 N ATOM 211 CA SER A 15 -0.978 -2.996 -12.298 1.00 20.00 C ATOM 212 C SER A 15 0.150 -2.950 -11.263 1.00 20.00 C ATOM 213 O SER A 15 0.513 -3.955 -10.682 1.00 20.00 O ATOM 214 CB SER A 15 -0.394 -2.783 -13.683 1.00 20.00 C ATOM 215 OG SER A 15 -1.524 -2.662 -14.534 1.00 20.00 O ATOM 0 H SER A 15 -2.259 -1.361 -12.820 1.00 20.00 H new ATOM 0 HA SER A 15 -1.469 -3.968 -12.244 1.00 20.00 H new ATOM 0 HB2 SER A 15 0.226 -1.887 -13.718 1.00 20.00 H new ATOM 0 HB3 SER A 15 0.238 -3.620 -13.980 1.00 20.00 H new ATOM 0 HG SER A 15 -1.225 -2.519 -15.456 1.00 20.00 H new ATOM 221 N VAL A 16 0.667 -1.771 -11.051 1.00 20.00 N ATOM 222 CA VAL A 16 1.774 -1.617 -10.065 1.00 20.00 C ATOM 223 C VAL A 16 1.406 -2.136 -8.674 1.00 20.00 C ATOM 224 O VAL A 16 2.033 -3.048 -8.173 1.00 20.00 O ATOM 225 CB VAL A 16 2.142 -0.135 -9.987 1.00 20.00 C ATOM 226 CG1 VAL A 16 3.241 0.031 -8.924 1.00 20.00 C ATOM 227 CG2 VAL A 16 2.683 0.308 -11.352 1.00 20.00 C ATOM 0 H VAL A 16 0.373 -0.912 -11.515 1.00 20.00 H new ATOM 0 HA VAL A 16 2.619 -2.216 -10.405 1.00 20.00 H new ATOM 0 HB VAL A 16 1.272 0.467 -9.724 1.00 20.00 H new ATOM 0 HG11 VAL A 16 3.520 1.082 -8.850 1.00 20.00 H new ATOM 0 HG12 VAL A 16 2.869 -0.314 -7.959 1.00 20.00 H new ATOM 0 HG13 VAL A 16 4.114 -0.557 -9.208 1.00 20.00 H new ATOM 0 HG21 VAL A 16 2.950 1.364 -11.312 1.00 20.00 H new ATOM 0 HG22 VAL A 16 3.566 -0.280 -11.602 1.00 20.00 H new ATOM 0 HG23 VAL A 16 1.918 0.156 -12.113 1.00 20.00 H new ATOM 237 N CYS A 17 0.398 -1.548 -8.092 1.00 20.00 N ATOM 238 CA CYS A 17 -0.021 -1.991 -6.734 1.00 20.00 C ATOM 239 C CYS A 17 -0.219 -3.497 -6.652 1.00 20.00 C ATOM 240 O CYS A 17 0.289 -4.125 -5.749 1.00 20.00 O ATOM 241 CB CYS A 17 -1.326 -1.305 -6.353 1.00 20.00 C ATOM 242 SG CYS A 17 -1.333 0.499 -6.202 1.00 20.00 S ATOM 0 H CYS A 17 -0.149 -0.787 -8.494 1.00 20.00 H new ATOM 0 HA CYS A 17 0.778 -1.717 -6.045 1.00 20.00 H new ATOM 0 HB2 CYS A 17 -2.075 -1.580 -7.095 1.00 20.00 H new ATOM 0 HB3 CYS A 17 -1.654 -1.720 -5.400 1.00 20.00 H new ATOM 247 N GLN A 18 -0.939 -4.038 -7.592 1.00 20.00 N ATOM 248 CA GLN A 18 -1.195 -5.507 -7.597 1.00 20.00 C ATOM 249 C GLN A 18 0.089 -6.345 -7.603 1.00 20.00 C ATOM 250 O GLN A 18 0.250 -7.234 -6.788 1.00 20.00 O ATOM 251 CB GLN A 18 -2.038 -5.818 -8.823 1.00 20.00 C ATOM 252 CG GLN A 18 -3.392 -5.114 -8.670 1.00 20.00 C ATOM 253 CD GLN A 18 -4.178 -5.281 -9.972 1.00 20.00 C ATOM 254 OE1 GLN A 18 -4.611 -4.321 -10.576 1.00 20.00 O ATOM 255 NE2 GLN A 18 -4.380 -6.482 -10.434 1.00 20.00 N ATOM 0 H GLN A 18 -1.365 -3.524 -8.363 1.00 20.00 H new ATOM 0 HA GLN A 18 -1.714 -5.774 -6.676 1.00 20.00 H new ATOM 0 HB2 GLN A 18 -1.533 -5.477 -9.727 1.00 20.00 H new ATOM 0 HB3 GLN A 18 -2.179 -6.894 -8.923 1.00 20.00 H new ATOM 0 HG2 GLN A 18 -3.948 -5.540 -7.835 1.00 20.00 H new ATOM 0 HG3 GLN A 18 -3.246 -4.057 -8.449 1.00 20.00 H new ATOM 0 HE21 GLN A 18 -4.017 -7.290 -9.929 1.00 20.00 H new ATOM 0 HE22 GLN A 18 -4.901 -6.614 -11.301 1.00 20.00 H new ATOM 264 N ARG A 19 0.975 -6.054 -8.514 1.00 20.00 N ATOM 265 CA ARG A 19 2.244 -6.832 -8.569 1.00 20.00 C ATOM 266 C ARG A 19 3.088 -6.699 -7.302 1.00 20.00 C ATOM 267 O ARG A 19 3.577 -7.675 -6.769 1.00 20.00 O ATOM 268 CB ARG A 19 3.055 -6.355 -9.764 1.00 20.00 C ATOM 269 CG ARG A 19 2.389 -6.851 -11.048 1.00 20.00 C ATOM 270 CD ARG A 19 3.242 -6.395 -12.232 1.00 20.00 C ATOM 271 NE ARG A 19 2.675 -7.007 -13.465 1.00 20.00 N ATOM 272 CZ ARG A 19 3.157 -6.690 -14.636 1.00 20.00 C ATOM 273 NH1 ARG A 19 4.138 -5.833 -14.721 1.00 20.00 N ATOM 274 NH2 ARG A 19 2.637 -7.248 -15.694 1.00 20.00 N ATOM 0 H ARG A 19 0.878 -5.320 -9.215 1.00 20.00 H new ATOM 0 HA ARG A 19 1.978 -7.885 -8.661 1.00 20.00 H new ATOM 0 HB2 ARG A 19 3.116 -5.267 -9.768 1.00 20.00 H new ATOM 0 HB3 ARG A 19 4.076 -6.731 -9.700 1.00 20.00 H new ATOM 0 HG2 ARG A 19 2.303 -7.938 -11.037 1.00 20.00 H new ATOM 0 HG3 ARG A 19 1.378 -6.452 -11.131 1.00 20.00 H new ATOM 0 HD2 ARG A 19 3.238 -5.308 -12.309 1.00 20.00 H new ATOM 0 HD3 ARG A 19 4.279 -6.701 -12.096 1.00 20.00 H new ATOM 0 HE ARG A 19 1.908 -7.676 -13.395 1.00 20.00 H new ATOM 0 HH11 ARG A 19 4.524 -5.414 -13.875 1.00 20.00 H new ATOM 0 HH12 ARG A 19 4.518 -5.582 -15.634 1.00 20.00 H new ATOM 0 HH21 ARG A 19 1.872 -7.915 -15.595 1.00 20.00 H new ATOM 0 HH22 ARG A 19 2.996 -7.017 -16.621 1.00 20.00 H new ATOM 288 N LEU A 20 3.236 -5.489 -6.848 1.00 20.00 N ATOM 289 CA LEU A 20 4.043 -5.261 -5.619 1.00 20.00 C ATOM 290 C LEU A 20 3.418 -5.835 -4.348 1.00 20.00 C ATOM 291 O LEU A 20 4.072 -6.558 -3.625 1.00 20.00 O ATOM 292 CB LEU A 20 4.251 -3.751 -5.463 1.00 20.00 C ATOM 293 CG LEU A 20 5.501 -3.301 -6.248 1.00 20.00 C ATOM 294 CD1 LEU A 20 5.373 -3.643 -7.733 1.00 20.00 C ATOM 295 CD2 LEU A 20 5.677 -1.784 -6.128 1.00 20.00 C ATOM 0 H LEU A 20 2.836 -4.651 -7.271 1.00 20.00 H new ATOM 0 HA LEU A 20 4.988 -5.790 -5.743 1.00 20.00 H new ATOM 0 HB2 LEU A 20 3.373 -3.216 -5.825 1.00 20.00 H new ATOM 0 HB3 LEU A 20 4.365 -3.499 -4.409 1.00 20.00 H new ATOM 0 HG LEU A 20 6.359 -3.824 -5.825 1.00 20.00 H new ATOM 0 HD11 LEU A 20 6.268 -3.314 -8.261 1.00 20.00 H new ATOM 0 HD12 LEU A 20 5.258 -4.721 -7.850 1.00 20.00 H new ATOM 0 HD13 LEU A 20 4.501 -3.138 -8.149 1.00 20.00 H new ATOM 0 HD21 LEU A 20 6.562 -1.475 -6.685 1.00 20.00 H new ATOM 0 HD22 LEU A 20 4.799 -1.283 -6.535 1.00 20.00 H new ATOM 0 HD23 LEU A 20 5.796 -1.513 -5.079 1.00 20.00 H new ATOM 307 N HIS A 21 2.176 -5.510 -4.106 1.00 20.00 N ATOM 308 CA HIS A 21 1.491 -6.020 -2.882 1.00 20.00 C ATOM 309 C HIS A 21 0.125 -6.623 -3.230 1.00 20.00 C ATOM 310 O HIS A 21 -0.423 -6.347 -4.278 1.00 20.00 O ATOM 311 CB HIS A 21 1.314 -4.848 -1.931 1.00 20.00 C ATOM 312 CG HIS A 21 2.590 -4.004 -1.972 1.00 20.00 C ATOM 313 ND1 HIS A 21 3.785 -4.420 -1.704 1.00 20.00 N ATOM 314 CD2 HIS A 21 2.761 -2.666 -2.292 1.00 20.00 C ATOM 315 CE1 HIS A 21 4.626 -3.445 -1.843 1.00 20.00 C ATOM 316 NE2 HIS A 21 4.033 -2.335 -2.207 1.00 20.00 N ATOM 0 H HIS A 21 1.605 -4.912 -4.704 1.00 20.00 H new ATOM 0 HA HIS A 21 2.090 -6.806 -2.422 1.00 20.00 H new ATOM 0 HB2 HIS A 21 0.452 -4.248 -2.223 1.00 20.00 H new ATOM 0 HB3 HIS A 21 1.126 -5.205 -0.918 1.00 20.00 H new ATOM 0 HD2 HIS A 21 1.965 -1.992 -2.571 1.00 20.00 H new ATOM 0 HE1 HIS A 21 5.689 -3.536 -1.678 1.00 20.00 H new ATOM 0 HE2 HIS A 21 4.458 -1.425 -2.384 1.00 20.00 H new ATOM 324 N ASN A 22 -0.385 -7.431 -2.338 1.00 20.00 N ATOM 325 CA ASN A 22 -1.712 -8.066 -2.582 1.00 20.00 C ATOM 326 C ASN A 22 -2.778 -6.984 -2.408 1.00 20.00 C ATOM 327 O ASN A 22 -3.345 -6.822 -1.345 1.00 20.00 O ATOM 328 CB ASN A 22 -1.913 -9.190 -1.566 1.00 20.00 C ATOM 329 CG ASN A 22 -0.771 -10.199 -1.710 1.00 20.00 C ATOM 330 OD1 ASN A 22 -0.874 -11.175 -2.426 1.00 20.00 O ATOM 331 ND2 ASN A 22 0.333 -10.001 -1.045 1.00 20.00 N ATOM 0 H ASN A 22 0.059 -7.678 -1.454 1.00 20.00 H new ATOM 0 HA ASN A 22 -1.777 -8.490 -3.584 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -1.932 -8.785 -0.554 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -2.872 -9.680 -1.731 1.00 20.00 H new ATOM 0 HD21 ASN A 22 1.104 -10.664 -1.128 1.00 20.00 H new ATOM 0 HD22 ASN A 22 0.426 -9.183 -0.442 1.00 20.00 H new ATOM 338 N THR A 23 -3.018 -6.269 -3.472 1.00 20.00 N ATOM 339 CA THR A 23 -4.027 -5.180 -3.448 1.00 20.00 C ATOM 340 C THR A 23 -4.864 -5.211 -4.722 1.00 20.00 C ATOM 341 O THR A 23 -4.872 -6.175 -5.460 1.00 20.00 O ATOM 342 CB THR A 23 -3.289 -3.846 -3.333 1.00 20.00 C ATOM 343 OG1 THR A 23 -2.390 -3.888 -4.434 1.00 20.00 O ATOM 344 CG2 THR A 23 -2.373 -3.834 -2.111 1.00 20.00 C ATOM 0 H THR A 23 -2.549 -6.397 -4.369 1.00 20.00 H new ATOM 0 HA THR A 23 -4.698 -5.310 -2.599 1.00 20.00 H new ATOM 0 HB THR A 23 -3.988 -3.011 -3.287 1.00 20.00 H new ATOM 0 HG1 THR A 23 -1.525 -3.515 -4.164 1.00 20.00 H new ATOM 0 HG21 THR A 23 -1.859 -2.875 -2.051 1.00 20.00 H new ATOM 0 HG22 THR A 23 -2.967 -3.985 -1.210 1.00 20.00 H new ATOM 0 HG23 THR A 23 -1.638 -4.634 -2.199 1.00 20.00 H new ATOM 352 N SER A 24 -5.540 -4.118 -4.921 1.00 20.00 N ATOM 353 CA SER A 24 -6.417 -3.949 -6.108 1.00 20.00 C ATOM 354 C SER A 24 -6.817 -2.470 -6.143 1.00 20.00 C ATOM 355 O SER A 24 -6.817 -1.837 -7.181 1.00 20.00 O ATOM 356 CB SER A 24 -7.648 -4.861 -5.942 1.00 20.00 C ATOM 357 OG SER A 24 -8.231 -4.458 -4.710 1.00 20.00 O ATOM 0 H SER A 24 -5.520 -3.314 -4.294 1.00 20.00 H new ATOM 0 HA SER A 24 -5.922 -4.223 -7.040 1.00 20.00 H new ATOM 0 HB2 SER A 24 -8.346 -4.738 -6.770 1.00 20.00 H new ATOM 0 HB3 SER A 24 -7.362 -5.913 -5.920 1.00 20.00 H new ATOM 0 HG SER A 24 -9.030 -4.998 -4.534 1.00 20.00 H new ATOM 363 N ARG A 25 -7.140 -1.971 -4.980 1.00 20.00 N ATOM 364 CA ARG A 25 -7.548 -0.546 -4.849 1.00 20.00 C ATOM 365 C ARG A 25 -6.351 0.400 -4.808 1.00 20.00 C ATOM 366 O ARG A 25 -5.591 0.415 -3.857 1.00 20.00 O ATOM 367 CB ARG A 25 -8.352 -0.344 -3.567 1.00 20.00 C ATOM 368 CG ARG A 25 -9.778 -0.852 -3.761 1.00 20.00 C ATOM 369 CD ARG A 25 -10.538 -0.601 -2.454 1.00 20.00 C ATOM 370 NE ARG A 25 -11.999 -0.517 -2.753 1.00 20.00 N ATOM 371 CZ ARG A 25 -12.684 -1.560 -3.141 1.00 20.00 C ATOM 372 NH1 ARG A 25 -12.098 -2.718 -3.278 1.00 20.00 N ATOM 373 NH2 ARG A 25 -13.958 -1.400 -3.385 1.00 20.00 N ATOM 0 H ARG A 25 -7.138 -2.498 -4.106 1.00 20.00 H new ATOM 0 HA ARG A 25 -8.149 -0.314 -5.728 1.00 20.00 H new ATOM 0 HB2 ARG A 25 -7.877 -0.875 -2.742 1.00 20.00 H new ATOM 0 HB3 ARG A 25 -8.367 0.713 -3.300 1.00 20.00 H new ATOM 0 HG2 ARG A 25 -10.260 -0.334 -4.590 1.00 20.00 H new ATOM 0 HG3 ARG A 25 -9.777 -1.914 -4.006 1.00 20.00 H new ATOM 0 HD2 ARG A 25 -10.344 -1.405 -1.745 1.00 20.00 H new ATOM 0 HD3 ARG A 25 -10.194 0.323 -1.990 1.00 20.00 H new ATOM 0 HE ARG A 25 -12.475 0.379 -2.652 1.00 20.00 H new ATOM 0 HH11 ARG A 25 -11.101 -2.812 -3.082 1.00 20.00 H new ATOM 0 HH12 ARG A 25 -12.637 -3.529 -3.581 1.00 20.00 H new ATOM 0 HH21 ARG A 25 -14.388 -0.482 -3.271 1.00 20.00 H new ATOM 0 HH22 ARG A 25 -14.522 -2.193 -3.690 1.00 20.00 H new ATOM 387 N GLY A 26 -6.239 1.167 -5.858 1.00 20.00 N ATOM 388 CA GLY A 26 -5.124 2.144 -5.963 1.00 20.00 C ATOM 389 C GLY A 26 -5.562 3.337 -6.807 1.00 20.00 C ATOM 390 O GLY A 26 -6.483 3.251 -7.595 1.00 20.00 O ATOM 0 H GLY A 26 -6.878 1.157 -6.653 1.00 20.00 H new ATOM 0 HA2 GLY A 26 -4.827 2.479 -4.969 1.00 20.00 H new ATOM 0 HA3 GLY A 26 -4.252 1.669 -6.413 1.00 20.00 H new ATOM 394 N LYS A 27 -4.874 4.426 -6.612 1.00 20.00 N ATOM 395 CA LYS A 27 -5.202 5.664 -7.373 1.00 20.00 C ATOM 396 C LYS A 27 -3.986 6.567 -7.467 1.00 20.00 C ATOM 397 O LYS A 27 -3.028 6.384 -6.748 1.00 20.00 O ATOM 398 CB LYS A 27 -6.330 6.409 -6.672 1.00 20.00 C ATOM 399 CG LYS A 27 -6.063 6.428 -5.157 1.00 20.00 C ATOM 400 CD LYS A 27 -6.963 7.472 -4.480 1.00 20.00 C ATOM 401 CE LYS A 27 -8.412 7.322 -4.976 1.00 20.00 C ATOM 402 NZ LYS A 27 -8.864 5.912 -4.815 1.00 20.00 N ATOM 0 H LYS A 27 -4.097 4.513 -5.957 1.00 20.00 H new ATOM 0 HA LYS A 27 -5.513 5.384 -8.379 1.00 20.00 H new ATOM 0 HB2 LYS A 27 -6.400 7.428 -7.053 1.00 20.00 H new ATOM 0 HB3 LYS A 27 -7.284 5.925 -6.879 1.00 20.00 H new ATOM 0 HG2 LYS A 27 -6.253 5.442 -4.733 1.00 20.00 H new ATOM 0 HG3 LYS A 27 -5.015 6.660 -4.967 1.00 20.00 H new ATOM 0 HD2 LYS A 27 -6.926 7.348 -3.398 1.00 20.00 H new ATOM 0 HD3 LYS A 27 -6.597 8.475 -4.699 1.00 20.00 H new ATOM 0 HE2 LYS A 27 -9.067 7.989 -4.415 1.00 20.00 H new ATOM 0 HE3 LYS A 27 -8.478 7.616 -6.023 1.00 20.00 H new ATOM 0 HZ1 LYS A 27 -9.839 5.899 -4.454 1.00 20.00 H new ATOM 0 HZ2 LYS A 27 -8.829 5.429 -5.735 1.00 20.00 H new ATOM 0 HZ3 LYS A 27 -8.240 5.422 -4.143 1.00 20.00 H new ATOM 416 N CYS A 28 -4.069 7.515 -8.359 1.00 20.00 N ATOM 417 CA CYS A 28 -2.925 8.456 -8.532 1.00 20.00 C ATOM 418 C CYS A 28 -3.155 9.885 -8.014 1.00 20.00 C ATOM 419 O CYS A 28 -4.198 10.468 -8.233 1.00 20.00 O ATOM 420 CB CYS A 28 -2.587 8.511 -10.014 1.00 20.00 C ATOM 421 SG CYS A 28 -1.073 9.394 -10.448 1.00 20.00 S ATOM 0 H CYS A 28 -4.869 7.679 -8.970 1.00 20.00 H new ATOM 0 HA CYS A 28 -2.112 8.064 -7.921 1.00 20.00 H new ATOM 0 HB2 CYS A 28 -2.508 7.490 -10.387 1.00 20.00 H new ATOM 0 HB3 CYS A 28 -3.420 8.978 -10.539 1.00 20.00 H new ATOM 426 N MET A 29 -2.160 10.404 -7.335 1.00 20.00 N ATOM 427 CA MET A 29 -2.245 11.784 -6.787 1.00 20.00 C ATOM 428 C MET A 29 -1.173 12.508 -7.594 1.00 20.00 C ATOM 429 O MET A 29 -0.194 11.898 -7.987 1.00 20.00 O ATOM 430 CB MET A 29 -1.905 11.783 -5.297 1.00 20.00 C ATOM 431 CG MET A 29 -2.985 10.971 -4.556 1.00 20.00 C ATOM 432 SD MET A 29 -4.701 11.552 -4.628 1.00 20.00 S ATOM 433 CE MET A 29 -4.879 12.225 -2.953 1.00 20.00 C ATOM 0 H MET A 29 -1.284 9.920 -7.138 1.00 20.00 H new ATOM 0 HA MET A 29 -3.232 12.240 -6.865 1.00 20.00 H new ATOM 0 HB2 MET A 29 -0.921 11.345 -5.132 1.00 20.00 H new ATOM 0 HB3 MET A 29 -1.868 12.803 -4.915 1.00 20.00 H new ATOM 0 HG2 MET A 29 -2.962 9.954 -4.947 1.00 20.00 H new ATOM 0 HG3 MET A 29 -2.697 10.916 -3.506 1.00 20.00 H new ATOM 0 HE1 MET A 29 -5.884 12.627 -2.827 1.00 20.00 H new ATOM 0 HE2 MET A 29 -4.710 11.433 -2.223 1.00 20.00 H new ATOM 0 HE3 MET A 29 -4.149 13.020 -2.801 1.00 20.00 H new ATOM 443 N ASN A 30 -1.398 13.779 -7.785 1.00 20.00 N ATOM 444 CA ASN A 30 -0.467 14.650 -8.566 1.00 20.00 C ATOM 445 C ASN A 30 1.005 14.427 -8.252 1.00 20.00 C ATOM 446 O ASN A 30 1.866 14.682 -9.071 1.00 20.00 O ATOM 447 CB ASN A 30 -0.811 16.113 -8.284 1.00 20.00 C ATOM 448 CG ASN A 30 -2.266 16.405 -8.653 1.00 20.00 C ATOM 449 OD1 ASN A 30 -3.189 15.740 -8.228 1.00 20.00 O ATOM 450 ND2 ASN A 30 -2.517 17.403 -9.452 1.00 20.00 N ATOM 0 H ASN A 30 -2.216 14.267 -7.420 1.00 20.00 H new ATOM 0 HA ASN A 30 -0.605 14.388 -9.615 1.00 20.00 H new ATOM 0 HB2 ASN A 30 -0.646 16.334 -7.229 1.00 20.00 H new ATOM 0 HB3 ASN A 30 -0.148 16.764 -8.854 1.00 20.00 H new ATOM 0 HD21 ASN A 30 -3.479 17.618 -9.713 1.00 20.00 H new ATOM 0 HD22 ASN A 30 -1.751 17.970 -9.816 1.00 20.00 H new ATOM 457 N LYS A 31 1.252 13.953 -7.070 1.00 20.00 N ATOM 458 CA LYS A 31 2.651 13.699 -6.672 1.00 20.00 C ATOM 459 C LYS A 31 3.095 12.316 -7.136 1.00 20.00 C ATOM 460 O LYS A 31 4.145 12.188 -7.732 1.00 20.00 O ATOM 461 CB LYS A 31 2.749 13.797 -5.155 1.00 20.00 C ATOM 462 CG LYS A 31 2.892 15.265 -4.715 1.00 20.00 C ATOM 463 CD LYS A 31 1.713 16.115 -5.225 1.00 20.00 C ATOM 464 CE LYS A 31 1.853 17.554 -4.726 1.00 20.00 C ATOM 465 NZ LYS A 31 1.822 17.603 -3.235 1.00 20.00 N ATOM 0 H LYS A 31 0.547 13.732 -6.366 1.00 20.00 H new ATOM 0 HA LYS A 31 3.303 14.438 -7.137 1.00 20.00 H new ATOM 0 HB2 LYS A 31 1.861 13.360 -4.699 1.00 20.00 H new ATOM 0 HB3 LYS A 31 3.605 13.221 -4.802 1.00 20.00 H new ATOM 0 HG2 LYS A 31 2.939 15.319 -3.627 1.00 20.00 H new ATOM 0 HG3 LYS A 31 3.829 15.672 -5.095 1.00 20.00 H new ATOM 0 HD2 LYS A 31 1.687 16.100 -6.315 1.00 20.00 H new ATOM 0 HD3 LYS A 31 0.771 15.691 -4.878 1.00 20.00 H new ATOM 0 HE2 LYS A 31 2.788 17.980 -5.089 1.00 20.00 H new ATOM 0 HE3 LYS A 31 1.046 18.164 -5.131 1.00 20.00 H new ATOM 0 HZ1 LYS A 31 1.595 18.569 -2.924 1.00 20.00 H new ATOM 0 HZ2 LYS A 31 1.097 16.946 -2.881 1.00 20.00 H new ATOM 0 HZ3 LYS A 31 2.752 17.327 -2.859 1.00 20.00 H new ATOM 479 N LYS A 32 2.294 11.317 -6.860 1.00 20.00 N ATOM 480 CA LYS A 32 2.672 9.931 -7.273 1.00 20.00 C ATOM 481 C LYS A 32 1.493 9.005 -7.043 1.00 20.00 C ATOM 482 O LYS A 32 0.447 9.422 -6.596 1.00 20.00 O ATOM 483 CB LYS A 32 3.884 9.433 -6.445 1.00 20.00 C ATOM 484 CG LYS A 32 5.179 9.483 -7.286 1.00 20.00 C ATOM 485 CD LYS A 32 6.310 10.077 -6.431 1.00 20.00 C ATOM 486 CE LYS A 32 7.510 10.399 -7.338 1.00 20.00 C ATOM 487 NZ LYS A 32 7.141 11.449 -8.331 1.00 20.00 N ATOM 0 H LYS A 32 1.403 11.400 -6.371 1.00 20.00 H new ATOM 0 HA LYS A 32 2.944 9.936 -8.328 1.00 20.00 H new ATOM 0 HB2 LYS A 32 4.000 10.050 -5.554 1.00 20.00 H new ATOM 0 HB3 LYS A 32 3.704 8.413 -6.106 1.00 20.00 H new ATOM 0 HG2 LYS A 32 5.448 8.482 -7.623 1.00 20.00 H new ATOM 0 HG3 LYS A 32 5.025 10.089 -8.179 1.00 20.00 H new ATOM 0 HD2 LYS A 32 5.966 10.980 -5.927 1.00 20.00 H new ATOM 0 HD3 LYS A 32 6.604 9.371 -5.654 1.00 20.00 H new ATOM 0 HE2 LYS A 32 8.350 10.740 -6.733 1.00 20.00 H new ATOM 0 HE3 LYS A 32 7.835 9.497 -7.856 1.00 20.00 H new ATOM 0 HZ1 LYS A 32 7.127 11.035 -9.285 1.00 20.00 H new ATOM 0 HZ2 LYS A 32 6.199 11.826 -8.103 1.00 20.00 H new ATOM 0 HZ3 LYS A 32 7.840 12.219 -8.298 1.00 20.00 H new ATOM 501 N CYS A 33 1.679 7.759 -7.358 1.00 20.00 N ATOM 502 CA CYS A 33 0.563 6.812 -7.137 1.00 20.00 C ATOM 503 C CYS A 33 0.608 6.315 -5.698 1.00 20.00 C ATOM 504 O CYS A 33 1.639 6.339 -5.057 1.00 20.00 O ATOM 505 CB CYS A 33 0.663 5.579 -8.001 1.00 20.00 C ATOM 506 SG CYS A 33 -0.796 4.554 -7.762 1.00 20.00 S ATOM 0 H CYS A 33 2.534 7.363 -7.749 1.00 20.00 H new ATOM 0 HA CYS A 33 -0.352 7.354 -7.377 1.00 20.00 H new ATOM 0 HB2 CYS A 33 0.752 5.864 -9.049 1.00 20.00 H new ATOM 0 HB3 CYS A 33 1.561 5.016 -7.746 1.00 20.00 H new ATOM 511 N ARG A 34 -0.531 5.890 -5.231 1.00 20.00 N ATOM 512 CA ARG A 34 -0.626 5.369 -3.847 1.00 20.00 C ATOM 513 C ARG A 34 -1.649 4.238 -3.854 1.00 20.00 C ATOM 514 O ARG A 34 -2.619 4.278 -4.584 1.00 20.00 O ATOM 515 CB ARG A 34 -1.078 6.490 -2.920 1.00 20.00 C ATOM 516 CG ARG A 34 -1.303 5.893 -1.521 1.00 20.00 C ATOM 517 CD ARG A 34 -1.634 7.014 -0.534 1.00 20.00 C ATOM 518 NE ARG A 34 -0.470 7.938 -0.460 1.00 20.00 N ATOM 519 CZ ARG A 34 -0.561 9.042 0.229 1.00 20.00 C ATOM 520 NH1 ARG A 34 -1.675 9.326 0.848 1.00 20.00 N ATOM 521 NH2 ARG A 34 0.474 9.839 0.280 1.00 20.00 N ATOM 0 H ARG A 34 -1.406 5.883 -5.756 1.00 20.00 H new ATOM 0 HA ARG A 34 0.337 5.000 -3.495 1.00 20.00 H new ATOM 0 HB2 ARG A 34 -0.326 7.278 -2.881 1.00 20.00 H new ATOM 0 HB3 ARG A 34 -1.996 6.944 -3.292 1.00 20.00 H new ATOM 0 HG2 ARG A 34 -2.116 5.168 -1.550 1.00 20.00 H new ATOM 0 HG3 ARG A 34 -0.411 5.358 -1.195 1.00 20.00 H new ATOM 0 HD2 ARG A 34 -2.525 7.552 -0.857 1.00 20.00 H new ATOM 0 HD3 ARG A 34 -1.852 6.600 0.450 1.00 20.00 H new ATOM 0 HE ARG A 34 0.397 7.709 -0.947 1.00 20.00 H new ATOM 0 HH11 ARG A 34 -2.467 8.686 0.791 1.00 20.00 H new ATOM 0 HH12 ARG A 34 -1.753 10.188 1.388 1.00 20.00 H new ATOM 0 HH21 ARG A 34 1.332 9.593 -0.213 1.00 20.00 H new ATOM 0 HH22 ARG A 34 0.423 10.707 0.813 1.00 20.00 H new ATOM 535 N CYS A 35 -1.381 3.261 -3.031 1.00 20.00 N ATOM 536 CA CYS A 35 -2.276 2.081 -2.911 1.00 20.00 C ATOM 537 C CYS A 35 -2.788 2.125 -1.475 1.00 20.00 C ATOM 538 O CYS A 35 -2.143 2.705 -0.624 1.00 20.00 O ATOM 539 CB CYS A 35 -1.464 0.815 -3.154 1.00 20.00 C ATOM 540 SG CYS A 35 -0.274 0.855 -4.518 1.00 20.00 S ATOM 0 H CYS A 35 -0.561 3.233 -2.425 1.00 20.00 H new ATOM 0 HA CYS A 35 -3.095 2.089 -3.630 1.00 20.00 H new ATOM 0 HB2 CYS A 35 -0.923 0.578 -2.238 1.00 20.00 H new ATOM 0 HB3 CYS A 35 -2.159 -0.005 -3.334 1.00 20.00 H new