USER MOD reduce.3.24.130724 H: found=0, std=0, add=284, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 283 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.152 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.07 K(o=-0.07,f=-2!) USER MOD Single : A 16 HIS : no HE2:sc= -1.37 K(o=-1.4,f=-2.2!) USER MOD Single : A 20 LYS NZ :NH3+ -162:sc= -0.0622 (180deg=-0.38) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0029 USER MOD Single : A 31 LYS NZ :NH3+ 169:sc= -0.0157 (180deg=-0.154) USER MOD Single : A 34 ASN : amide:sc= 1.36 K(o=1.4,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.752 -0.570 5.848 1.00 0.00 N ATOM 2 CA GLY A 1 -8.376 -0.842 6.240 1.00 0.00 C ATOM 3 C GLY A 1 -7.599 -1.386 5.083 1.00 0.00 C ATOM 4 O GLY A 1 -8.167 -1.574 3.993 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.954 0.443 5.969 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.887 -0.833 4.851 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.399 -1.125 6.444 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.907 0.073 6.602 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.361 -1.556 7.064 1.00 0.00 H new ATOM 10 N ILE A 2 -6.321 -1.644 5.293 1.00 0.00 N ATOM 11 CA ILE A 2 -5.471 -2.162 4.270 1.00 0.00 C ATOM 12 C ILE A 2 -5.744 -3.622 4.024 1.00 0.00 C ATOM 13 O ILE A 2 -6.035 -4.387 4.958 1.00 0.00 O ATOM 14 CB ILE A 2 -3.986 -1.930 4.607 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.665 -2.382 6.049 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.642 -0.472 4.406 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.241 -2.130 6.473 1.00 0.00 C ATOM 0 H ILE A 2 -5.854 -1.495 6.187 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.694 -1.619 3.351 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.375 -2.533 3.935 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.334 -1.865 6.737 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.876 -3.448 6.139 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.591 -0.310 4.645 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.825 -0.195 3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.262 0.142 5.060 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.100 -2.476 7.497 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.563 -2.669 5.811 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.029 -1.062 6.418 1.00 0.00 H new ATOM 29 N THR A 3 -5.680 -3.987 2.796 1.00 0.00 N ATOM 30 CA THR A 3 -5.925 -5.317 2.361 1.00 0.00 C ATOM 31 C THR A 3 -4.806 -5.666 1.410 1.00 0.00 C ATOM 32 O THR A 3 -4.302 -4.777 0.736 1.00 0.00 O ATOM 33 CB THR A 3 -7.264 -5.359 1.595 1.00 0.00 C ATOM 34 OG1 THR A 3 -8.309 -4.788 2.415 1.00 0.00 O ATOM 35 CG2 THR A 3 -7.651 -6.786 1.223 1.00 0.00 C ATOM 0 H THR A 3 -5.447 -3.346 2.037 1.00 0.00 H new ATOM 0 HA THR A 3 -5.972 -6.011 3.200 1.00 0.00 H new ATOM 0 HB THR A 3 -7.142 -4.784 0.677 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.158 -4.814 1.927 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.599 -6.777 0.685 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.878 -7.219 0.589 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.754 -7.383 2.129 1.00 0.00 H new ATOM 43 N CYS A 4 -4.376 -6.903 1.405 1.00 0.00 N ATOM 44 CA CYS A 4 -3.365 -7.332 0.485 1.00 0.00 C ATOM 45 C CYS A 4 -3.735 -8.627 -0.143 1.00 0.00 C ATOM 46 O CYS A 4 -3.437 -9.697 0.389 1.00 0.00 O ATOM 47 CB CYS A 4 -2.002 -7.466 1.134 1.00 0.00 C ATOM 48 SG CYS A 4 -1.395 -5.944 1.918 1.00 0.00 S ATOM 0 H CYS A 4 -4.716 -7.631 2.034 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.300 -6.555 -0.277 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -2.046 -8.255 1.885 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.283 -7.784 0.379 1.00 0.00 H new ATOM 53 N ASP A 5 -4.427 -8.549 -1.228 1.00 0.00 N ATOM 54 CA ASP A 5 -4.732 -9.731 -1.986 1.00 0.00 C ATOM 55 C ASP A 5 -3.627 -9.900 -2.985 1.00 0.00 C ATOM 56 O ASP A 5 -3.165 -11.007 -3.276 1.00 0.00 O ATOM 57 CB ASP A 5 -6.071 -9.592 -2.697 1.00 0.00 C ATOM 58 CG ASP A 5 -6.454 -10.834 -3.469 1.00 0.00 C ATOM 59 OD1 ASP A 5 -6.944 -11.794 -2.854 1.00 0.00 O ATOM 60 OD2 ASP A 5 -6.294 -10.866 -4.707 1.00 0.00 O ATOM 0 H ASP A 5 -4.796 -7.681 -1.617 1.00 0.00 H new ATOM 0 HA ASP A 5 -4.808 -10.598 -1.330 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -6.846 -9.372 -1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -6.029 -8.743 -3.380 1.00 0.00 H new ATOM 65 N LEU A 6 -3.149 -8.772 -3.447 1.00 0.00 N ATOM 66 CA LEU A 6 -2.112 -8.720 -4.410 1.00 0.00 C ATOM 67 C LEU A 6 -0.851 -8.122 -3.827 1.00 0.00 C ATOM 68 O LEU A 6 -0.878 -7.274 -2.942 1.00 0.00 O ATOM 69 CB LEU A 6 -2.544 -7.904 -5.634 1.00 0.00 C ATOM 70 CG LEU A 6 -3.696 -8.471 -6.464 1.00 0.00 C ATOM 71 CD1 LEU A 6 -4.097 -7.488 -7.551 1.00 0.00 C ATOM 72 CD2 LEU A 6 -3.297 -9.806 -7.086 1.00 0.00 C ATOM 0 H LEU A 6 -3.485 -7.856 -3.150 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.905 -9.745 -4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.826 -6.907 -5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.679 -7.786 -6.287 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.549 -8.633 -5.805 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.918 -7.905 -8.134 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.415 -6.551 -7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.245 -7.302 -8.205 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.128 -10.196 -7.674 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.431 -9.662 -7.733 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.046 -10.515 -6.297 1.00 0.00 H new ATOM 84 N ILE A 7 0.219 -8.615 -4.291 1.00 0.00 N ATOM 85 CA ILE A 7 1.523 -8.093 -4.019 1.00 0.00 C ATOM 86 C ILE A 7 1.788 -6.983 -5.037 1.00 0.00 C ATOM 87 O ILE A 7 1.600 -7.190 -6.233 1.00 0.00 O ATOM 88 CB ILE A 7 2.598 -9.206 -4.182 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.321 -10.365 -3.219 1.00 0.00 C ATOM 90 CG2 ILE A 7 4.002 -8.649 -3.959 1.00 0.00 C ATOM 91 CD1 ILE A 7 3.251 -11.546 -3.394 1.00 0.00 C ATOM 0 H ILE A 7 0.231 -9.432 -4.901 1.00 0.00 H new ATOM 0 HA ILE A 7 1.573 -7.716 -2.997 1.00 0.00 H new ATOM 0 HB ILE A 7 2.542 -9.582 -5.204 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.402 -10.000 -2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.293 -10.701 -3.357 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.734 -9.448 -4.079 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.201 -7.862 -4.687 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.075 -8.238 -2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.990 -12.324 -2.676 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.154 -11.939 -4.406 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.280 -11.227 -3.226 1.00 0.00 H new ATOM 103 N GLY A 8 2.129 -5.801 -4.552 1.00 0.00 N ATOM 104 CA GLY A 8 2.464 -4.662 -5.417 1.00 0.00 C ATOM 105 C GLY A 8 1.286 -4.003 -6.145 1.00 0.00 C ATOM 106 O GLY A 8 1.136 -2.776 -6.130 1.00 0.00 O ATOM 0 H GLY A 8 2.184 -5.595 -3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.961 -3.904 -4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.185 -4.997 -6.163 1.00 0.00 H new ATOM 110 N ASN A 9 0.425 -4.810 -6.701 1.00 0.00 N ATOM 111 CA ASN A 9 -0.668 -4.362 -7.581 1.00 0.00 C ATOM 112 C ASN A 9 -1.846 -3.943 -6.761 1.00 0.00 C ATOM 113 O ASN A 9 -2.820 -3.394 -7.263 1.00 0.00 O ATOM 114 CB ASN A 9 -1.095 -5.504 -8.520 1.00 0.00 C ATOM 115 CG ASN A 9 -0.024 -5.949 -9.505 1.00 0.00 C ATOM 116 OD1 ASN A 9 1.180 -5.837 -9.254 1.00 0.00 O ATOM 117 ND2 ASN A 9 -0.445 -6.498 -10.601 1.00 0.00 N ATOM 0 H ASN A 9 0.447 -5.821 -6.565 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.312 -3.518 -8.171 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.393 -6.361 -7.916 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -1.975 -5.187 -9.079 1.00 0.00 H new ATOM 0 HD21 ASN A 9 0.225 -6.852 -11.284 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -1.446 -6.576 -10.780 1.00 0.00 H new ATOM 124 N GLU A 10 -1.711 -4.157 -5.495 1.00 0.00 N ATOM 125 CA GLU A 10 -2.708 -3.929 -4.535 1.00 0.00 C ATOM 126 C GLU A 10 -2.930 -2.443 -4.295 1.00 0.00 C ATOM 127 O GLU A 10 -2.331 -1.802 -3.402 1.00 0.00 O ATOM 128 CB GLU A 10 -2.371 -4.678 -3.273 1.00 0.00 C ATOM 129 CG GLU A 10 -3.346 -4.480 -2.182 1.00 0.00 C ATOM 130 CD GLU A 10 -4.734 -4.940 -2.566 1.00 0.00 C ATOM 131 OE1 GLU A 10 -5.076 -6.135 -2.350 1.00 0.00 O ATOM 132 OE2 GLU A 10 -5.483 -4.134 -3.140 1.00 0.00 O ATOM 0 H GLU A 10 -0.846 -4.517 -5.092 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.658 -4.310 -4.910 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.306 -5.742 -3.500 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.386 -4.364 -2.928 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.016 -5.026 -1.298 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.377 -3.425 -1.912 1.00 0.00 H new ATOM 139 N ARG A 11 -3.746 -1.923 -5.150 1.00 0.00 N ATOM 140 CA ARG A 11 -4.181 -0.531 -5.171 1.00 0.00 C ATOM 141 C ARG A 11 -4.725 -0.086 -3.803 1.00 0.00 C ATOM 142 O ARG A 11 -4.543 1.066 -3.397 1.00 0.00 O ATOM 143 CB ARG A 11 -5.282 -0.341 -6.221 1.00 0.00 C ATOM 144 CG ARG A 11 -4.958 -0.782 -7.662 1.00 0.00 C ATOM 145 CD ARG A 11 -3.787 -0.024 -8.292 1.00 0.00 C ATOM 146 NE ARG A 11 -2.462 -0.506 -7.853 1.00 0.00 N ATOM 147 CZ ARG A 11 -1.340 0.242 -7.857 1.00 0.00 C ATOM 148 NH1 ARG A 11 -1.403 1.534 -8.158 1.00 0.00 N ATOM 149 NH2 ARG A 11 -0.157 -0.305 -7.559 1.00 0.00 N ATOM 0 H ARG A 11 -4.161 -2.473 -5.902 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.311 0.078 -5.417 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.164 -0.888 -5.889 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.551 0.715 -6.242 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.731 -1.848 -7.663 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.844 -0.644 -8.282 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.853 -0.108 -9.377 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.878 1.034 -8.048 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.391 -1.469 -7.525 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.301 1.961 -8.386 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.554 2.099 -8.161 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.098 -1.296 -7.326 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.686 0.269 -7.565 1.00 0.00 H new ATOM 163 N LEU A 12 -5.351 -1.018 -3.081 1.00 0.00 N ATOM 164 CA LEU A 12 -5.960 -0.731 -1.784 1.00 0.00 C ATOM 165 C LEU A 12 -4.925 -0.457 -0.710 1.00 0.00 C ATOM 166 O LEU A 12 -5.238 0.117 0.337 1.00 0.00 O ATOM 167 CB LEU A 12 -6.900 -1.849 -1.356 1.00 0.00 C ATOM 168 CG LEU A 12 -8.097 -2.085 -2.272 1.00 0.00 C ATOM 169 CD1 LEU A 12 -8.935 -3.229 -1.755 1.00 0.00 C ATOM 170 CD2 LEU A 12 -8.938 -0.822 -2.392 1.00 0.00 C ATOM 0 H LEU A 12 -5.449 -1.989 -3.379 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.545 0.180 -1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.329 -2.775 -1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.269 -1.627 -0.355 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.726 -2.345 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.785 -3.386 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.331 -4.135 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.295 -2.993 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.787 -1.011 -3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.300 -0.531 -1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.330 -0.018 -2.807 1.00 0.00 H new ATOM 182 N CYS A 13 -3.716 -0.876 -0.949 1.00 0.00 N ATOM 183 CA CYS A 13 -2.637 -0.578 -0.045 1.00 0.00 C ATOM 184 C CYS A 13 -2.057 0.773 -0.429 1.00 0.00 C ATOM 185 O CYS A 13 -1.884 1.660 0.413 1.00 0.00 O ATOM 186 CB CYS A 13 -1.584 -1.684 -0.106 1.00 0.00 C ATOM 187 SG CYS A 13 -0.009 -1.340 0.779 1.00 0.00 S ATOM 0 H CYS A 13 -3.449 -1.427 -1.765 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.995 -0.531 0.983 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -2.018 -2.596 0.305 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -1.354 -1.884 -1.153 1.00 0.00 H new ATOM 192 N VAL A 14 -1.875 0.955 -1.736 1.00 0.00 N ATOM 193 CA VAL A 14 -1.306 2.173 -2.307 1.00 0.00 C ATOM 194 C VAL A 14 -2.069 3.405 -1.828 1.00 0.00 C ATOM 195 O VAL A 14 -1.467 4.372 -1.351 1.00 0.00 O ATOM 196 CB VAL A 14 -1.366 2.144 -3.847 1.00 0.00 C ATOM 197 CG1 VAL A 14 -0.622 3.332 -4.434 1.00 0.00 C ATOM 198 CG2 VAL A 14 -0.833 0.835 -4.395 1.00 0.00 C ATOM 0 H VAL A 14 -2.121 0.254 -2.435 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.268 2.224 -1.978 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.412 2.219 -4.146 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.676 3.294 -5.522 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.077 4.257 -4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.422 3.299 -4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.889 0.847 -5.483 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.205 0.707 -4.086 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.431 0.009 -4.010 1.00 0.00 H new ATOM 208 N VAL A 15 -3.393 3.335 -1.911 1.00 0.00 N ATOM 209 CA VAL A 15 -4.270 4.439 -1.522 1.00 0.00 C ATOM 210 C VAL A 15 -4.107 4.810 -0.025 1.00 0.00 C ATOM 211 O VAL A 15 -4.296 5.972 0.367 1.00 0.00 O ATOM 212 CB VAL A 15 -5.759 4.124 -1.871 1.00 0.00 C ATOM 213 CG1 VAL A 15 -6.296 2.950 -1.087 1.00 0.00 C ATOM 214 CG2 VAL A 15 -6.654 5.343 -1.721 1.00 0.00 C ATOM 0 H VAL A 15 -3.891 2.512 -2.250 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.967 5.312 -2.101 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.770 3.841 -2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.335 2.771 -1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.703 2.063 -1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.239 3.168 -0.021 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.680 5.075 -1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.616 5.698 -0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.309 6.132 -2.390 1.00 0.00 H new ATOM 224 N HIS A 16 -3.700 3.848 0.789 1.00 0.00 N ATOM 225 CA HIS A 16 -3.481 4.099 2.213 1.00 0.00 C ATOM 226 C HIS A 16 -2.234 4.947 2.377 1.00 0.00 C ATOM 227 O HIS A 16 -2.217 5.950 3.107 1.00 0.00 O ATOM 228 CB HIS A 16 -3.346 2.770 2.994 1.00 0.00 C ATOM 229 CG HIS A 16 -2.950 2.926 4.433 1.00 0.00 C ATOM 230 ND1 HIS A 16 -3.823 3.225 5.447 1.00 0.00 N ATOM 231 CD2 HIS A 16 -1.732 2.800 5.011 1.00 0.00 C ATOM 232 CE1 HIS A 16 -3.136 3.271 6.583 1.00 0.00 C ATOM 233 NE2 HIS A 16 -1.856 3.018 6.375 1.00 0.00 N ATOM 0 H HIS A 16 -3.514 2.889 0.494 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.340 4.632 2.621 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -4.297 2.239 2.948 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -2.607 2.144 2.494 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -4.825 3.384 5.347 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -0.813 2.567 4.494 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -3.567 3.487 7.549 1.00 0.00 H new ATOM 241 N CYS A 17 -1.226 4.581 1.646 1.00 0.00 N ATOM 242 CA CYS A 17 0.027 5.263 1.678 1.00 0.00 C ATOM 243 C CYS A 17 -0.123 6.643 1.057 1.00 0.00 C ATOM 244 O CYS A 17 0.473 7.611 1.519 1.00 0.00 O ATOM 245 CB CYS A 17 1.041 4.416 0.954 1.00 0.00 C ATOM 246 SG CYS A 17 1.112 2.709 1.598 1.00 0.00 S ATOM 0 H CYS A 17 -1.253 3.790 1.003 1.00 0.00 H new ATOM 0 HA CYS A 17 0.368 5.412 2.702 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.797 4.391 -0.108 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.025 4.876 1.044 1.00 0.00 H new ATOM 251 N LEU A 18 -0.974 6.747 0.055 1.00 0.00 N ATOM 252 CA LEU A 18 -1.248 8.024 -0.580 1.00 0.00 C ATOM 253 C LEU A 18 -2.036 8.929 0.363 1.00 0.00 C ATOM 254 O LEU A 18 -1.876 10.144 0.340 1.00 0.00 O ATOM 255 CB LEU A 18 -2.001 7.830 -1.899 1.00 0.00 C ATOM 256 CG LEU A 18 -1.284 6.987 -2.959 1.00 0.00 C ATOM 257 CD1 LEU A 18 -2.132 6.858 -4.207 1.00 0.00 C ATOM 258 CD2 LEU A 18 0.077 7.575 -3.293 1.00 0.00 C ATOM 0 H LEU A 18 -1.490 5.960 -0.339 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.296 8.504 -0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.962 7.365 -1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.211 8.812 -2.324 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.129 5.990 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.603 6.256 -4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.077 6.377 -3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.327 7.848 -4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.565 6.958 -4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.048 8.587 -3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.692 7.602 -2.394 1.00 0.00 H new ATOM 270 N ALA A 19 -2.866 8.329 1.209 1.00 0.00 N ATOM 271 CA ALA A 19 -3.605 9.080 2.215 1.00 0.00 C ATOM 272 C ALA A 19 -2.662 9.607 3.286 1.00 0.00 C ATOM 273 O ALA A 19 -2.805 10.732 3.748 1.00 0.00 O ATOM 274 CB ALA A 19 -4.686 8.226 2.839 1.00 0.00 C ATOM 0 H ALA A 19 -3.043 7.325 1.218 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.082 9.928 1.723 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.224 8.809 3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.381 7.897 2.067 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.233 7.356 3.314 1.00 0.00 H new ATOM 280 N LYS A 20 -1.697 8.789 3.675 1.00 0.00 N ATOM 281 CA LYS A 20 -0.704 9.203 4.657 1.00 0.00 C ATOM 282 C LYS A 20 0.260 10.249 4.108 1.00 0.00 C ATOM 283 O LYS A 20 0.716 11.121 4.836 1.00 0.00 O ATOM 284 CB LYS A 20 0.064 8.013 5.237 1.00 0.00 C ATOM 285 CG LYS A 20 -0.725 7.204 6.245 1.00 0.00 C ATOM 286 CD LYS A 20 0.138 6.140 6.905 1.00 0.00 C ATOM 287 CE LYS A 20 -0.603 5.455 8.047 1.00 0.00 C ATOM 288 NZ LYS A 20 -0.949 6.391 9.144 1.00 0.00 N ATOM 0 H LYS A 20 -1.579 7.837 3.328 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.264 9.668 5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.370 7.359 4.421 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.975 8.378 5.712 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.132 7.868 7.007 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.573 6.730 5.749 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.434 5.398 6.164 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.053 6.595 7.284 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.515 4.999 7.662 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.014 4.648 8.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.166 5.851 10.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.145 7.025 9.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.779 6.955 8.870 1.00 0.00 H new ATOM 302 N GLY A 21 0.562 10.165 2.842 1.00 0.00 N ATOM 303 CA GLY A 21 1.462 11.125 2.247 1.00 0.00 C ATOM 304 C GLY A 21 2.741 10.474 1.800 1.00 0.00 C ATOM 305 O GLY A 21 3.846 10.976 2.034 1.00 0.00 O ATOM 0 H GLY A 21 0.205 9.452 2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.977 11.601 1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.685 11.912 2.967 1.00 0.00 H new ATOM 309 N PHE A 22 2.594 9.343 1.198 1.00 0.00 N ATOM 310 CA PHE A 22 3.686 8.578 0.675 1.00 0.00 C ATOM 311 C PHE A 22 3.687 8.627 -0.817 1.00 0.00 C ATOM 312 O PHE A 22 2.710 9.080 -1.430 1.00 0.00 O ATOM 313 CB PHE A 22 3.573 7.118 1.140 1.00 0.00 C ATOM 314 CG PHE A 22 4.174 6.865 2.452 1.00 0.00 C ATOM 315 CD1 PHE A 22 3.456 7.000 3.622 1.00 0.00 C ATOM 316 CD2 PHE A 22 5.469 6.463 2.509 1.00 0.00 C ATOM 317 CE1 PHE A 22 4.051 6.728 4.832 1.00 0.00 C ATOM 318 CE2 PHE A 22 6.073 6.194 3.683 1.00 0.00 C ATOM 319 CZ PHE A 22 5.370 6.319 4.865 1.00 0.00 C ATOM 0 H PHE A 22 1.684 8.907 1.049 1.00 0.00 H new ATOM 0 HA PHE A 22 4.618 9.006 1.045 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.520 6.838 1.173 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.051 6.474 0.402 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.425 7.320 3.588 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.029 6.356 1.592 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.491 6.833 5.749 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.106 5.881 3.700 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.848 6.099 5.808 1.00 0.00 H new ATOM 329 N ARG A 23 4.784 8.185 -1.401 1.00 0.00 N ATOM 330 CA ARG A 23 4.867 8.008 -2.843 1.00 0.00 C ATOM 331 C ARG A 23 3.899 6.938 -3.262 1.00 0.00 C ATOM 332 O ARG A 23 3.319 6.988 -4.357 1.00 0.00 O ATOM 333 CB ARG A 23 6.271 7.609 -3.289 1.00 0.00 C ATOM 334 CG ARG A 23 7.192 8.753 -3.656 1.00 0.00 C ATOM 335 CD ARG A 23 7.445 9.705 -2.518 1.00 0.00 C ATOM 336 NE ARG A 23 8.329 10.790 -2.931 1.00 0.00 N ATOM 337 CZ ARG A 23 8.883 11.686 -2.120 1.00 0.00 C ATOM 338 NH1 ARG A 23 8.560 11.716 -0.834 1.00 0.00 N ATOM 339 NH2 ARG A 23 9.730 12.572 -2.611 1.00 0.00 N ATOM 0 H ARG A 23 5.637 7.940 -0.898 1.00 0.00 H new ATOM 0 HA ARG A 23 4.622 8.961 -3.313 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.737 7.034 -2.489 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.184 6.946 -4.150 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.144 8.348 -3.999 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.760 9.304 -4.492 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.499 10.116 -2.166 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.890 9.167 -1.681 1.00 0.00 H new ATOM 0 HE ARG A 23 8.540 10.868 -3.926 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.883 11.049 -0.462 1.00 0.00 H new ATOM 0 HH12 ARG A 23 8.988 12.406 -0.217 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.955 12.566 -3.606 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.159 13.263 -1.995 1.00 0.00 H new ATOM 353 N GLY A 24 3.689 6.002 -2.372 1.00 0.00 N ATOM 354 CA GLY A 24 2.795 4.937 -2.640 1.00 0.00 C ATOM 355 C GLY A 24 3.050 3.805 -1.722 1.00 0.00 C ATOM 356 O GLY A 24 3.839 3.946 -0.756 1.00 0.00 O ATOM 0 H GLY A 24 4.134 5.968 -1.455 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.767 5.280 -2.527 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.910 4.609 -3.673 1.00 0.00 H new ATOM 360 N GLY A 25 2.423 2.712 -1.982 1.00 0.00 N ATOM 361 CA GLY A 25 2.515 1.601 -1.120 1.00 0.00 C ATOM 362 C GLY A 25 2.378 0.333 -1.860 1.00 0.00 C ATOM 363 O GLY A 25 1.860 0.312 -2.975 1.00 0.00 O ATOM 0 H GLY A 25 1.832 2.569 -2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.473 1.620 -0.601 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.739 1.665 -0.358 1.00 0.00 H new ATOM 367 N TRP A 26 2.825 -0.718 -1.276 1.00 0.00 N ATOM 368 CA TRP A 26 2.789 -1.984 -1.909 1.00 0.00 C ATOM 369 C TRP A 26 2.770 -3.072 -0.865 1.00 0.00 C ATOM 370 O TRP A 26 3.490 -3.007 0.148 1.00 0.00 O ATOM 371 CB TRP A 26 4.011 -2.168 -2.863 1.00 0.00 C ATOM 372 CG TRP A 26 5.332 -2.402 -2.183 1.00 0.00 C ATOM 373 CD1 TRP A 26 6.043 -3.563 -2.186 1.00 0.00 C ATOM 374 CD2 TRP A 26 6.076 -1.483 -1.374 1.00 0.00 C ATOM 375 NE1 TRP A 26 7.185 -3.415 -1.446 1.00 0.00 N ATOM 376 CE2 TRP A 26 7.223 -2.153 -0.932 1.00 0.00 C ATOM 377 CE3 TRP A 26 5.881 -0.163 -0.986 1.00 0.00 C ATOM 378 CZ2 TRP A 26 8.163 -1.553 -0.124 1.00 0.00 C ATOM 379 CZ3 TRP A 26 6.809 0.437 -0.178 1.00 0.00 C ATOM 380 CH2 TRP A 26 7.943 -0.259 0.250 1.00 0.00 C ATOM 0 H TRP A 26 3.229 -0.724 -0.339 1.00 0.00 H new ATOM 0 HA TRP A 26 1.882 -2.046 -2.511 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.809 -3.009 -3.526 1.00 0.00 H new ATOM 0 HB3 TRP A 26 4.097 -1.281 -3.491 1.00 0.00 H new ATOM 0 HD1 TRP A 26 5.749 -4.468 -2.697 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.894 -4.134 -1.302 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.009 0.382 -1.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.043 -2.087 0.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 6.663 1.461 0.133 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.659 0.237 0.889 1.00 0.00 H new ATOM 391 N CYS A 27 1.918 -4.014 -1.052 1.00 0.00 N ATOM 392 CA CYS A 27 1.944 -5.178 -0.244 1.00 0.00 C ATOM 393 C CYS A 27 3.032 -6.049 -0.768 1.00 0.00 C ATOM 394 O CYS A 27 3.066 -6.317 -1.962 1.00 0.00 O ATOM 395 CB CYS A 27 0.617 -5.888 -0.289 1.00 0.00 C ATOM 396 SG CYS A 27 -0.737 -4.879 0.347 1.00 0.00 S ATOM 0 H CYS A 27 1.188 -4.001 -1.764 1.00 0.00 H new ATOM 0 HA CYS A 27 2.129 -4.920 0.799 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.398 -6.175 -1.318 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.682 -6.808 0.292 1.00 0.00 H new ATOM 401 N ASP A 28 3.951 -6.426 0.076 1.00 0.00 N ATOM 402 CA ASP A 28 5.083 -7.240 -0.381 1.00 0.00 C ATOM 403 C ASP A 28 4.727 -8.723 -0.312 1.00 0.00 C ATOM 404 O ASP A 28 3.564 -9.070 -0.084 1.00 0.00 O ATOM 405 CB ASP A 28 6.369 -6.931 0.416 1.00 0.00 C ATOM 406 CG ASP A 28 6.352 -7.443 1.833 1.00 0.00 C ATOM 407 OD1 ASP A 28 5.905 -6.723 2.723 1.00 0.00 O ATOM 408 OD2 ASP A 28 6.806 -8.569 2.074 1.00 0.00 O ATOM 0 H ASP A 28 3.956 -6.197 1.070 1.00 0.00 H new ATOM 0 HA ASP A 28 5.288 -6.982 -1.420 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.221 -7.367 -0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.523 -5.852 0.433 1.00 0.00 H new ATOM 413 N SER A 29 5.710 -9.591 -0.502 1.00 0.00 N ATOM 414 CA SER A 29 5.505 -11.036 -0.523 1.00 0.00 C ATOM 415 C SER A 29 4.983 -11.583 0.834 1.00 0.00 C ATOM 416 O SER A 29 4.402 -12.670 0.897 1.00 0.00 O ATOM 417 CB SER A 29 6.806 -11.713 -0.932 1.00 0.00 C ATOM 418 OG SER A 29 7.349 -11.070 -2.091 1.00 0.00 O ATOM 0 H SER A 29 6.680 -9.312 -0.647 1.00 0.00 H new ATOM 0 HA SER A 29 4.728 -11.264 -1.253 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.522 -11.668 -0.112 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.627 -12.768 -1.141 1.00 0.00 H new ATOM 0 HG SER A 29 8.186 -11.510 -2.347 1.00 0.00 H new ATOM 424 N ARG A 30 5.174 -10.814 1.906 1.00 0.00 N ATOM 425 CA ARG A 30 4.653 -11.181 3.229 1.00 0.00 C ATOM 426 C ARG A 30 3.180 -10.766 3.349 1.00 0.00 C ATOM 427 O ARG A 30 2.536 -11.024 4.375 1.00 0.00 O ATOM 428 CB ARG A 30 5.438 -10.469 4.326 1.00 0.00 C ATOM 429 CG ARG A 30 6.917 -10.794 4.390 1.00 0.00 C ATOM 430 CD ARG A 30 7.627 -9.814 5.296 1.00 0.00 C ATOM 431 NE ARG A 30 7.413 -8.442 4.829 1.00 0.00 N ATOM 432 CZ ARG A 30 7.606 -7.333 5.541 1.00 0.00 C ATOM 433 NH1 ARG A 30 8.140 -7.392 6.758 1.00 0.00 N ATOM 434 NH2 ARG A 30 7.258 -6.168 5.021 1.00 0.00 N ATOM 0 H ARG A 30 5.686 -9.932 1.887 1.00 0.00 H new ATOM 0 HA ARG A 30 4.752 -12.261 3.342 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.326 -9.394 4.188 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.988 -10.715 5.288 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.058 -11.810 4.759 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.349 -10.755 3.390 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.259 -9.919 6.317 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.694 -10.036 5.318 1.00 0.00 H new ATOM 0 HE ARG A 30 7.086 -8.325 3.870 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.406 -8.293 7.155 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.283 -6.536 7.294 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.848 -6.128 4.088 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.399 -5.309 5.553 1.00 0.00 H new ATOM 448 N LYS A 31 2.670 -10.094 2.301 1.00 0.00 N ATOM 449 CA LYS A 31 1.300 -9.567 2.241 1.00 0.00 C ATOM 450 C LYS A 31 1.097 -8.447 3.259 1.00 0.00 C ATOM 451 O LYS A 31 -0.009 -8.221 3.757 1.00 0.00 O ATOM 452 CB LYS A 31 0.242 -10.682 2.383 1.00 0.00 C ATOM 453 CG LYS A 31 0.164 -11.643 1.197 1.00 0.00 C ATOM 454 CD LYS A 31 -0.297 -10.933 -0.077 1.00 0.00 C ATOM 455 CE LYS A 31 -0.405 -11.893 -1.257 1.00 0.00 C ATOM 456 NZ LYS A 31 -1.394 -12.967 -1.029 1.00 0.00 N ATOM 0 H LYS A 31 3.211 -9.900 1.458 1.00 0.00 H new ATOM 0 HA LYS A 31 1.158 -9.136 1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.457 -11.256 3.284 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.735 -10.221 2.524 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.142 -12.094 1.029 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.525 -12.455 1.431 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.265 -10.464 0.099 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.404 -10.135 -0.322 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.681 -11.334 -2.151 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.571 -12.338 -1.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.565 -13.476 -1.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.029 -13.630 -0.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.286 -12.552 -0.691 1.00 0.00 H new ATOM 470 N VAL A 32 2.172 -7.737 3.524 1.00 0.00 N ATOM 471 CA VAL A 32 2.165 -6.597 4.417 1.00 0.00 C ATOM 472 C VAL A 32 2.082 -5.341 3.568 1.00 0.00 C ATOM 473 O VAL A 32 2.776 -5.254 2.544 1.00 0.00 O ATOM 474 CB VAL A 32 3.476 -6.550 5.263 1.00 0.00 C ATOM 475 CG1 VAL A 32 3.516 -5.334 6.184 1.00 0.00 C ATOM 476 CG2 VAL A 32 3.631 -7.818 6.075 1.00 0.00 C ATOM 0 H VAL A 32 3.087 -7.937 3.121 1.00 0.00 H new ATOM 0 HA VAL A 32 1.317 -6.672 5.097 1.00 0.00 H new ATOM 0 HB VAL A 32 4.308 -6.467 4.564 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.445 -5.340 6.754 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.463 -4.424 5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.669 -5.369 6.869 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.551 -7.767 6.658 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.780 -7.925 6.748 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.674 -8.676 5.405 1.00 0.00 H new ATOM 486 N CYS A 33 1.220 -4.414 3.947 1.00 0.00 N ATOM 487 CA CYS A 33 1.095 -3.147 3.248 1.00 0.00 C ATOM 488 C CYS A 33 2.271 -2.264 3.661 1.00 0.00 C ATOM 489 O CYS A 33 2.372 -1.862 4.826 1.00 0.00 O ATOM 490 CB CYS A 33 -0.234 -2.432 3.618 1.00 0.00 C ATOM 491 SG CYS A 33 -0.556 -0.896 2.680 1.00 0.00 S ATOM 0 H CYS A 33 0.590 -4.517 4.743 1.00 0.00 H new ATOM 0 HA CYS A 33 1.094 -3.327 2.173 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.061 -3.123 3.454 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.221 -2.197 4.682 1.00 0.00 H new ATOM 496 N ASN A 34 3.174 -2.003 2.754 1.00 0.00 N ATOM 497 CA ASN A 34 4.338 -1.172 3.049 1.00 0.00 C ATOM 498 C ASN A 34 4.173 0.123 2.328 1.00 0.00 C ATOM 499 O ASN A 34 3.656 0.136 1.229 1.00 0.00 O ATOM 500 CB ASN A 34 5.638 -1.813 2.543 1.00 0.00 C ATOM 501 CG ASN A 34 5.852 -3.231 2.983 1.00 0.00 C ATOM 502 OD1 ASN A 34 6.416 -3.494 4.039 1.00 0.00 O ATOM 503 ND2 ASN A 34 5.432 -4.150 2.171 1.00 0.00 N ATOM 0 H ASN A 34 3.136 -2.351 1.796 1.00 0.00 H new ATOM 0 HA ASN A 34 4.403 -1.046 4.130 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.643 -1.781 1.453 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.480 -1.211 2.883 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.566 -5.134 2.402 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.967 -3.889 1.302 1.00 0.00 H new ATOM 510 N CYS A 35 4.577 1.198 2.925 1.00 0.00 N ATOM 511 CA CYS A 35 4.492 2.487 2.280 1.00 0.00 C ATOM 512 C CYS A 35 5.882 3.053 2.051 1.00 0.00 C ATOM 513 O CYS A 35 6.699 3.069 2.975 1.00 0.00 O ATOM 514 CB CYS A 35 3.639 3.454 3.099 1.00 0.00 C ATOM 515 SG CYS A 35 1.938 2.893 3.435 1.00 0.00 S ATOM 0 H CYS A 35 4.973 1.218 3.865 1.00 0.00 H new ATOM 0 HA CYS A 35 4.008 2.355 1.312 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.139 3.638 4.050 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.593 4.408 2.573 1.00 0.00 H new ATOM 520 N ARG A 36 6.146 3.489 0.812 1.00 0.00 N ATOM 521 CA ARG A 36 7.424 4.102 0.397 1.00 0.00 C ATOM 522 C ARG A 36 7.448 4.250 -1.111 1.00 0.00 C ATOM 523 O ARG A 36 7.810 5.295 -1.638 1.00 0.00 O ATOM 524 CB ARG A 36 8.643 3.237 0.797 1.00 0.00 C ATOM 525 CG ARG A 36 9.990 3.796 0.374 1.00 0.00 C ATOM 526 CD ARG A 36 11.097 2.790 0.622 1.00 0.00 C ATOM 527 NE ARG A 36 12.407 3.285 0.192 1.00 0.00 N ATOM 528 CZ ARG A 36 13.517 2.527 0.033 1.00 0.00 C ATOM 529 NH1 ARG A 36 13.475 1.211 0.236 1.00 0.00 N ATOM 530 NH2 ARG A 36 14.663 3.098 -0.324 1.00 0.00 N ATOM 0 H ARG A 36 5.468 3.426 0.053 1.00 0.00 H new ATOM 0 HA ARG A 36 7.492 5.067 0.899 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.642 3.112 1.880 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.525 2.245 0.361 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.963 4.059 -0.683 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.197 4.713 0.926 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.134 2.548 1.684 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.869 1.865 0.092 1.00 0.00 H new ATOM 0 HE ARG A 36 12.489 4.283 -0.004 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.601 0.766 0.514 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.317 0.649 0.113 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.705 4.106 -0.478 1.00 0.00 H new ATOM 0 HH22 ARG A 36 15.501 2.529 -0.444 1.00 0.00 H new ATOM 544 N ARG A 37 7.032 3.207 -1.785 1.00 0.00 N ATOM 545 CA ARG A 37 7.188 3.093 -3.207 1.00 0.00 C ATOM 546 C ARG A 37 5.841 3.086 -3.871 1.00 0.00 C ATOM 547 O ARG A 37 5.447 4.118 -4.421 1.00 0.00 O ATOM 548 CB ARG A 37 7.937 1.799 -3.518 1.00 0.00 C ATOM 549 CG ARG A 37 9.229 1.656 -2.729 1.00 0.00 C ATOM 550 CD ARG A 37 9.979 0.384 -3.072 1.00 0.00 C ATOM 551 NE ARG A 37 10.430 0.367 -4.467 1.00 0.00 N ATOM 552 CZ ARG A 37 11.070 -0.651 -5.046 1.00 0.00 C ATOM 553 NH1 ARG A 37 11.421 -1.722 -4.333 1.00 0.00 N ATOM 554 NH2 ARG A 37 11.385 -0.582 -6.332 1.00 0.00 N ATOM 555 OXT ARG A 37 5.149 2.053 -3.814 1.00 0.00 O ATOM 0 H ARG A 37 6.571 2.406 -1.353 1.00 0.00 H new ATOM 0 HA ARG A 37 7.755 3.943 -3.587 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.289 0.950 -3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.163 1.764 -4.584 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.869 2.516 -2.926 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.003 1.665 -1.663 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.841 0.283 -2.412 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.335 -0.476 -2.889 1.00 0.00 H new ATOM 0 HE ARG A 37 10.241 1.192 -5.036 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.200 -1.767 -3.338 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.910 -2.496 -4.783 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.138 0.246 -6.874 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.874 -1.357 -6.780 1.00 0.00 H new TER 569 ARG A 37