USER MOD reduce.3.24.130724 H: found=0, std=0, add=284, rem=0, adj=5 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+ -128:sc= 0.139 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 16 HIS : no HD1:sc= -2.78! C(o=-2.8!,f=-3.5!) USER MOD Single : A 20 LYS NZ :NH3+ 164:sc= -0.0409 (180deg=-0.293) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0199 USER MOD Single : A 31 LYS NZ :NH3+ -152:sc= 1.05 (180deg=0.521) USER MOD Single : A 34 ASN : amide:sc= 1.14 K(o=1.1,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.510 -1.690 5.962 1.00 0.00 N ATOM 2 CA GLY A 1 -8.107 -1.469 6.310 1.00 0.00 C ATOM 3 C GLY A 1 -7.222 -1.873 5.181 1.00 0.00 C ATOM 4 O GLY A 1 -7.703 -2.056 4.065 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.051 -0.818 6.132 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.582 -1.952 4.958 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.896 -2.457 6.548 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.946 -0.418 6.548 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.853 -2.041 7.202 1.00 0.00 H new ATOM 10 N ILE A 2 -5.945 -2.026 5.443 1.00 0.00 N ATOM 11 CA ILE A 2 -5.013 -2.422 4.426 1.00 0.00 C ATOM 12 C ILE A 2 -4.845 -3.929 4.401 1.00 0.00 C ATOM 13 O ILE A 2 -4.428 -4.559 5.381 1.00 0.00 O ATOM 14 CB ILE A 2 -3.662 -1.681 4.536 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.132 -1.692 5.982 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.801 -0.270 4.007 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.845 -0.920 6.191 1.00 0.00 C ATOM 0 H ILE A 2 -5.530 -1.879 6.363 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.435 -2.123 3.467 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.928 -2.206 3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.898 -1.279 6.638 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.973 -2.726 6.288 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.844 0.245 4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.108 -0.302 2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.551 0.265 4.589 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.548 -0.984 7.238 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.060 -1.345 5.565 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.999 0.125 5.921 1.00 0.00 H new ATOM 29 N THR A 3 -5.203 -4.490 3.298 1.00 0.00 N ATOM 30 CA THR A 3 -5.216 -5.905 3.085 1.00 0.00 C ATOM 31 C THR A 3 -4.615 -6.146 1.715 1.00 0.00 C ATOM 32 O THR A 3 -4.680 -5.263 0.863 1.00 0.00 O ATOM 33 CB THR A 3 -6.679 -6.398 3.103 1.00 0.00 C ATOM 34 OG1 THR A 3 -7.329 -5.907 4.299 1.00 0.00 O ATOM 35 CG2 THR A 3 -6.758 -7.918 3.091 1.00 0.00 C ATOM 0 H THR A 3 -5.508 -3.958 2.483 1.00 0.00 H new ATOM 0 HA THR A 3 -4.655 -6.434 3.855 1.00 0.00 H new ATOM 0 HB THR A 3 -7.174 -6.021 2.208 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.259 -6.215 4.316 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.803 -8.228 3.104 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.277 -8.300 2.190 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.250 -8.316 3.970 1.00 0.00 H new ATOM 43 N CYS A 4 -4.033 -7.293 1.500 1.00 0.00 N ATOM 44 CA CYS A 4 -3.392 -7.540 0.255 1.00 0.00 C ATOM 45 C CYS A 4 -3.954 -8.745 -0.453 1.00 0.00 C ATOM 46 O CYS A 4 -3.620 -9.899 -0.138 1.00 0.00 O ATOM 47 CB CYS A 4 -1.896 -7.678 0.451 1.00 0.00 C ATOM 48 SG CYS A 4 -1.138 -6.229 1.239 1.00 0.00 S ATOM 0 H CYS A 4 -3.993 -8.061 2.170 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.588 -6.680 -0.386 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.696 -8.560 1.060 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.424 -7.845 -0.517 1.00 0.00 H new ATOM 53 N ASP A 5 -4.819 -8.501 -1.395 1.00 0.00 N ATOM 54 CA ASP A 5 -5.310 -9.567 -2.235 1.00 0.00 C ATOM 55 C ASP A 5 -4.314 -9.730 -3.338 1.00 0.00 C ATOM 56 O ASP A 5 -3.989 -10.838 -3.761 1.00 0.00 O ATOM 57 CB ASP A 5 -6.685 -9.253 -2.813 1.00 0.00 C ATOM 58 CG ASP A 5 -7.171 -10.340 -3.763 1.00 0.00 C ATOM 59 OD1 ASP A 5 -7.338 -10.074 -4.970 1.00 0.00 O ATOM 60 OD2 ASP A 5 -7.381 -11.488 -3.320 1.00 0.00 O ATOM 0 H ASP A 5 -5.201 -7.579 -1.604 1.00 0.00 H new ATOM 0 HA ASP A 5 -5.424 -10.480 -1.651 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -7.401 -9.137 -2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -6.646 -8.301 -3.342 1.00 0.00 H new ATOM 65 N LEU A 6 -3.777 -8.608 -3.740 1.00 0.00 N ATOM 66 CA LEU A 6 -2.766 -8.542 -4.721 1.00 0.00 C ATOM 67 C LEU A 6 -1.483 -8.127 -4.031 1.00 0.00 C ATOM 68 O LEU A 6 -1.505 -7.463 -3.003 1.00 0.00 O ATOM 69 CB LEU A 6 -3.138 -7.504 -5.785 1.00 0.00 C ATOM 70 CG LEU A 6 -4.473 -7.711 -6.501 1.00 0.00 C ATOM 71 CD1 LEU A 6 -4.736 -6.573 -7.474 1.00 0.00 C ATOM 72 CD2 LEU A 6 -4.496 -9.046 -7.225 1.00 0.00 C ATOM 0 H LEU A 6 -4.050 -7.697 -3.373 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.646 -9.509 -5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.152 -6.522 -5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.347 -7.486 -6.535 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.265 -7.717 -5.752 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.690 -6.736 -7.975 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.769 -5.629 -6.930 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.938 -6.537 -8.216 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.455 -9.171 -7.727 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.694 -9.074 -7.963 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.355 -9.853 -6.506 1.00 0.00 H new ATOM 84 N ILE A 7 -0.400 -8.544 -4.550 1.00 0.00 N ATOM 85 CA ILE A 7 0.886 -8.173 -4.031 1.00 0.00 C ATOM 86 C ILE A 7 1.483 -7.113 -4.929 1.00 0.00 C ATOM 87 O ILE A 7 1.641 -7.322 -6.130 1.00 0.00 O ATOM 88 CB ILE A 7 1.843 -9.394 -3.900 1.00 0.00 C ATOM 89 CG1 ILE A 7 1.262 -10.405 -2.901 1.00 0.00 C ATOM 90 CG2 ILE A 7 3.244 -8.953 -3.471 1.00 0.00 C ATOM 91 CD1 ILE A 7 2.099 -11.654 -2.712 1.00 0.00 C ATOM 0 H ILE A 7 -0.362 -9.163 -5.360 1.00 0.00 H new ATOM 0 HA ILE A 7 0.755 -7.778 -3.024 1.00 0.00 H new ATOM 0 HB ILE A 7 1.932 -9.871 -4.876 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.142 -9.914 -1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.267 -10.697 -3.236 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.891 -9.826 -3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.653 -8.268 -4.214 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.187 -8.450 -2.506 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.614 -12.311 -1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.199 -12.173 -3.665 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.087 -11.378 -2.344 1.00 0.00 H new ATOM 103 N GLY A 8 1.707 -5.949 -4.374 1.00 0.00 N ATOM 104 CA GLY A 8 2.292 -4.851 -5.124 1.00 0.00 C ATOM 105 C GLY A 8 1.261 -4.077 -5.925 1.00 0.00 C ATOM 106 O GLY A 8 1.220 -2.861 -5.877 1.00 0.00 O ATOM 0 H GLY A 8 1.494 -5.730 -3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.795 -4.173 -4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.053 -5.242 -5.800 1.00 0.00 H new ATOM 110 N ASN A 9 0.358 -4.804 -6.559 1.00 0.00 N ATOM 111 CA ASN A 9 -0.668 -4.239 -7.472 1.00 0.00 C ATOM 112 C ASN A 9 -1.895 -3.878 -6.683 1.00 0.00 C ATOM 113 O ASN A 9 -2.947 -3.530 -7.224 1.00 0.00 O ATOM 114 CB ASN A 9 -1.070 -5.282 -8.528 1.00 0.00 C ATOM 115 CG ASN A 9 0.072 -5.738 -9.406 1.00 0.00 C ATOM 116 OD1 ASN A 9 1.002 -4.985 -9.682 1.00 0.00 O ATOM 117 ND2 ASN A 9 0.018 -6.968 -9.852 1.00 0.00 N ATOM 0 H ASN A 9 0.301 -5.818 -6.465 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.251 -3.358 -7.960 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.496 -6.149 -8.024 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -1.854 -4.863 -9.158 1.00 0.00 H new ATOM 0 HD21 ASN A 9 0.763 -7.327 -10.448 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -0.769 -7.567 -9.603 1.00 0.00 H new ATOM 124 N GLU A 10 -1.744 -3.912 -5.418 1.00 0.00 N ATOM 125 CA GLU A 10 -2.806 -3.750 -4.527 1.00 0.00 C ATOM 126 C GLU A 10 -3.056 -2.279 -4.241 1.00 0.00 C ATOM 127 O GLU A 10 -2.625 -1.721 -3.228 1.00 0.00 O ATOM 128 CB GLU A 10 -2.539 -4.567 -3.279 1.00 0.00 C ATOM 129 CG GLU A 10 -3.618 -4.499 -2.266 1.00 0.00 C ATOM 130 CD GLU A 10 -4.930 -4.961 -2.823 1.00 0.00 C ATOM 131 OE1 GLU A 10 -5.266 -6.159 -2.675 1.00 0.00 O ATOM 132 OE2 GLU A 10 -5.626 -4.145 -3.480 1.00 0.00 O ATOM 0 H GLU A 10 -0.843 -4.059 -4.964 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.728 -4.124 -4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.390 -5.608 -3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.609 -4.224 -2.826 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.350 -5.114 -1.407 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.716 -3.475 -1.906 1.00 0.00 H new ATOM 139 N ARG A 11 -3.704 -1.651 -5.188 1.00 0.00 N ATOM 140 CA ARG A 11 -4.048 -0.237 -5.121 1.00 0.00 C ATOM 141 C ARG A 11 -4.960 0.097 -3.933 1.00 0.00 C ATOM 142 O ARG A 11 -5.013 1.253 -3.484 1.00 0.00 O ATOM 143 CB ARG A 11 -4.652 0.255 -6.432 1.00 0.00 C ATOM 144 CG ARG A 11 -3.720 0.121 -7.633 1.00 0.00 C ATOM 145 CD ARG A 11 -4.275 0.830 -8.862 1.00 0.00 C ATOM 146 NE ARG A 11 -4.382 2.280 -8.641 1.00 0.00 N ATOM 147 CZ ARG A 11 -4.837 3.188 -9.519 1.00 0.00 C ATOM 148 NH1 ARG A 11 -5.140 2.848 -10.775 1.00 0.00 N ATOM 149 NH2 ARG A 11 -4.939 4.449 -9.147 1.00 0.00 N ATOM 0 H ARG A 11 -4.017 -2.107 -6.045 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.112 0.297 -4.958 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.567 -0.303 -6.631 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.935 1.302 -6.320 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.744 0.537 -7.384 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.569 -0.934 -7.860 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.629 0.637 -9.718 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.257 0.424 -9.106 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.081 2.630 -7.731 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.027 1.882 -11.083 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.484 3.554 -11.426 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.674 4.725 -8.202 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.283 5.148 -9.805 1.00 0.00 H new ATOM 163 N LEU A 12 -5.659 -0.906 -3.411 1.00 0.00 N ATOM 164 CA LEU A 12 -6.495 -0.728 -2.221 1.00 0.00 C ATOM 165 C LEU A 12 -5.607 -0.520 -1.001 1.00 0.00 C ATOM 166 O LEU A 12 -6.008 0.077 -0.009 1.00 0.00 O ATOM 167 CB LEU A 12 -7.410 -1.932 -2.009 1.00 0.00 C ATOM 168 CG LEU A 12 -8.471 -2.176 -3.085 1.00 0.00 C ATOM 169 CD1 LEU A 12 -9.203 -3.465 -2.806 1.00 0.00 C ATOM 170 CD2 LEU A 12 -9.459 -1.026 -3.128 1.00 0.00 C ATOM 0 H LEU A 12 -5.665 -1.852 -3.791 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.124 0.150 -2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.789 -2.824 -1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.916 -1.813 -1.051 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.972 -2.247 -4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.956 -3.630 -3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.495 -4.293 -2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.688 -3.404 -1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.206 -1.217 -3.899 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.952 -0.933 -2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.930 -0.100 -3.356 1.00 0.00 H new ATOM 182 N CYS A 13 -4.409 -1.008 -1.096 1.00 0.00 N ATOM 183 CA CYS A 13 -3.426 -0.823 -0.076 1.00 0.00 C ATOM 184 C CYS A 13 -2.677 0.488 -0.330 1.00 0.00 C ATOM 185 O CYS A 13 -2.565 1.342 0.556 1.00 0.00 O ATOM 186 CB CYS A 13 -2.478 -2.022 -0.062 1.00 0.00 C ATOM 187 SG CYS A 13 -1.032 -1.832 0.999 1.00 0.00 S ATOM 0 H CYS A 13 -4.083 -1.553 -1.894 1.00 0.00 H new ATOM 0 HA CYS A 13 -3.900 -0.758 0.903 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.034 -2.903 0.260 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -2.141 -2.212 -1.081 1.00 0.00 H new ATOM 192 N VAL A 14 -2.243 0.670 -1.584 1.00 0.00 N ATOM 193 CA VAL A 14 -1.464 1.845 -2.020 1.00 0.00 C ATOM 194 C VAL A 14 -2.181 3.161 -1.685 1.00 0.00 C ATOM 195 O VAL A 14 -1.537 4.144 -1.283 1.00 0.00 O ATOM 196 CB VAL A 14 -1.186 1.805 -3.550 1.00 0.00 C ATOM 197 CG1 VAL A 14 -0.314 2.971 -3.997 1.00 0.00 C ATOM 198 CG2 VAL A 14 -0.558 0.488 -3.964 1.00 0.00 C ATOM 0 H VAL A 14 -2.422 0.002 -2.334 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.520 1.805 -1.476 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.151 1.897 -4.048 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.143 2.907 -5.072 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.816 3.910 -3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.642 2.932 -3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.377 0.493 -5.039 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.387 0.354 -3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.232 -0.331 -3.714 1.00 0.00 H new ATOM 208 N VAL A 15 -3.512 3.170 -1.823 1.00 0.00 N ATOM 209 CA VAL A 15 -4.315 4.363 -1.544 1.00 0.00 C ATOM 210 C VAL A 15 -4.102 4.871 -0.102 1.00 0.00 C ATOM 211 O VAL A 15 -4.132 6.064 0.139 1.00 0.00 O ATOM 212 CB VAL A 15 -5.833 4.134 -1.833 1.00 0.00 C ATOM 213 CG1 VAL A 15 -6.448 3.126 -0.883 1.00 0.00 C ATOM 214 CG2 VAL A 15 -6.613 5.445 -1.822 1.00 0.00 C ATOM 0 H VAL A 15 -4.055 2.362 -2.127 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.965 5.136 -2.228 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.900 3.716 -2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.504 2.999 -1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.935 2.170 -0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.348 3.484 0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.665 5.244 -2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.517 5.917 -0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.215 6.112 -2.587 1.00 0.00 H new ATOM 224 N HIS A 16 -3.805 3.962 0.823 1.00 0.00 N ATOM 225 CA HIS A 16 -3.563 4.335 2.213 1.00 0.00 C ATOM 226 C HIS A 16 -2.281 5.146 2.307 1.00 0.00 C ATOM 227 O HIS A 16 -2.238 6.202 2.936 1.00 0.00 O ATOM 228 CB HIS A 16 -3.497 3.076 3.097 1.00 0.00 C ATOM 229 CG HIS A 16 -3.129 3.310 4.544 1.00 0.00 C ATOM 230 ND1 HIS A 16 -3.932 3.956 5.456 1.00 0.00 N ATOM 231 CD2 HIS A 16 -2.007 2.964 5.217 1.00 0.00 C ATOM 232 CE1 HIS A 16 -3.293 3.990 6.627 1.00 0.00 C ATOM 233 NE2 HIS A 16 -2.113 3.394 6.539 1.00 0.00 N ATOM 0 H HIS A 16 -3.726 2.963 0.635 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.386 4.951 2.575 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -4.467 2.580 3.064 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -2.772 2.388 2.663 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.163 2.438 4.796 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -3.685 4.443 7.526 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -1.426 3.275 7.283 1.00 0.00 H new ATOM 241 N CYS A 17 -1.271 4.685 1.620 1.00 0.00 N ATOM 242 CA CYS A 17 0.013 5.341 1.602 1.00 0.00 C ATOM 243 C CYS A 17 -0.117 6.708 0.918 1.00 0.00 C ATOM 244 O CYS A 17 0.415 7.723 1.401 1.00 0.00 O ATOM 245 CB CYS A 17 1.000 4.448 0.868 1.00 0.00 C ATOM 246 SG CYS A 17 1.019 2.723 1.482 1.00 0.00 S ATOM 0 H CYS A 17 -1.314 3.838 1.053 1.00 0.00 H new ATOM 0 HA CYS A 17 0.374 5.509 2.617 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.755 4.445 -0.194 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.000 4.870 0.963 1.00 0.00 H new ATOM 251 N LEU A 18 -0.891 6.746 -0.155 1.00 0.00 N ATOM 252 CA LEU A 18 -1.117 7.973 -0.915 1.00 0.00 C ATOM 253 C LEU A 18 -1.956 8.969 -0.117 1.00 0.00 C ATOM 254 O LEU A 18 -1.794 10.181 -0.256 1.00 0.00 O ATOM 255 CB LEU A 18 -1.792 7.655 -2.251 1.00 0.00 C ATOM 256 CG LEU A 18 -1.017 6.713 -3.175 1.00 0.00 C ATOM 257 CD1 LEU A 18 -1.789 6.451 -4.452 1.00 0.00 C ATOM 258 CD2 LEU A 18 0.355 7.275 -3.491 1.00 0.00 C ATOM 0 H LEU A 18 -1.381 5.932 -0.526 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.148 8.432 -1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.768 7.215 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.968 8.591 -2.781 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.888 5.765 -2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.217 5.779 -5.092 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.748 5.993 -4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.958 7.393 -4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.887 6.588 -4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.248 8.241 -3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.918 7.401 -2.566 1.00 0.00 H new ATOM 270 N ALA A 19 -2.838 8.455 0.716 1.00 0.00 N ATOM 271 CA ALA A 19 -3.653 9.287 1.577 1.00 0.00 C ATOM 272 C ALA A 19 -2.806 9.886 2.687 1.00 0.00 C ATOM 273 O ALA A 19 -2.949 11.063 3.024 1.00 0.00 O ATOM 274 CB ALA A 19 -4.810 8.491 2.160 1.00 0.00 C ATOM 0 H ALA A 19 -3.009 7.454 0.815 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.067 10.098 0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.408 9.136 2.803 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.432 8.108 1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.420 7.657 2.744 1.00 0.00 H new ATOM 280 N LYS A 20 -1.903 9.082 3.237 1.00 0.00 N ATOM 281 CA LYS A 20 -1.018 9.541 4.305 1.00 0.00 C ATOM 282 C LYS A 20 0.026 10.520 3.781 1.00 0.00 C ATOM 283 O LYS A 20 0.520 11.364 4.524 1.00 0.00 O ATOM 284 CB LYS A 20 -0.339 8.370 5.014 1.00 0.00 C ATOM 285 CG LYS A 20 -1.310 7.384 5.642 1.00 0.00 C ATOM 286 CD LYS A 20 -0.589 6.271 6.384 1.00 0.00 C ATOM 287 CE LYS A 20 0.020 6.749 7.688 1.00 0.00 C ATOM 288 NZ LYS A 20 -1.006 7.154 8.670 1.00 0.00 N ATOM 0 H LYS A 20 -1.763 8.110 2.962 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.641 10.062 5.032 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.290 7.840 4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.320 8.760 5.790 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.968 7.912 6.331 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.942 6.952 4.866 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.289 5.461 6.588 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.196 5.862 5.748 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.633 5.954 8.113 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.683 7.591 7.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.578 7.212 9.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.391 8.084 8.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.773 6.452 8.680 1.00 0.00 H new ATOM 302 N GLY A 21 0.378 10.393 2.523 1.00 0.00 N ATOM 303 CA GLY A 21 1.303 11.338 1.943 1.00 0.00 C ATOM 304 C GLY A 21 2.599 10.705 1.536 1.00 0.00 C ATOM 305 O GLY A 21 3.616 11.382 1.398 1.00 0.00 O ATOM 0 H GLY A 21 0.047 9.662 1.893 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.842 11.804 1.072 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.502 12.133 2.662 1.00 0.00 H new ATOM 309 N PHE A 22 2.575 9.419 1.352 1.00 0.00 N ATOM 310 CA PHE A 22 3.730 8.676 0.914 1.00 0.00 C ATOM 311 C PHE A 22 3.929 8.814 -0.566 1.00 0.00 C ATOM 312 O PHE A 22 3.064 9.351 -1.280 1.00 0.00 O ATOM 313 CB PHE A 22 3.602 7.197 1.304 1.00 0.00 C ATOM 314 CG PHE A 22 4.073 6.928 2.668 1.00 0.00 C ATOM 315 CD1 PHE A 22 3.229 6.996 3.757 1.00 0.00 C ATOM 316 CD2 PHE A 22 5.380 6.602 2.857 1.00 0.00 C ATOM 317 CE1 PHE A 22 3.710 6.733 5.022 1.00 0.00 C ATOM 318 CE2 PHE A 22 5.871 6.342 4.087 1.00 0.00 C ATOM 319 CZ PHE A 22 5.043 6.402 5.190 1.00 0.00 C ATOM 0 H PHE A 22 1.746 8.845 1.502 1.00 0.00 H new ATOM 0 HA PHE A 22 4.606 9.091 1.413 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.559 6.892 1.217 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.172 6.589 0.601 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.190 7.256 3.618 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.040 6.550 2.004 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.051 6.785 5.876 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.913 6.087 4.209 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.432 6.192 6.175 1.00 0.00 H new ATOM 329 N ARG A 23 5.068 8.363 -1.033 1.00 0.00 N ATOM 330 CA ARG A 23 5.347 8.352 -2.446 1.00 0.00 C ATOM 331 C ARG A 23 4.566 7.206 -3.061 1.00 0.00 C ATOM 332 O ARG A 23 4.262 7.198 -4.260 1.00 0.00 O ATOM 333 CB ARG A 23 6.847 8.188 -2.691 1.00 0.00 C ATOM 334 CG ARG A 23 7.305 8.356 -4.139 1.00 0.00 C ATOM 335 CD ARG A 23 7.064 9.770 -4.652 1.00 0.00 C ATOM 336 NE ARG A 23 5.650 10.058 -4.961 1.00 0.00 N ATOM 337 CZ ARG A 23 5.071 11.268 -4.876 1.00 0.00 C ATOM 338 NH1 ARG A 23 5.725 12.293 -4.328 1.00 0.00 N ATOM 339 NH2 ARG A 23 3.832 11.434 -5.306 1.00 0.00 N ATOM 0 H ARG A 23 5.820 7.997 -0.450 1.00 0.00 H new ATOM 0 HA ARG A 23 5.046 9.294 -2.904 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.378 8.913 -2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.146 7.198 -2.347 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.366 8.119 -4.214 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.774 7.645 -4.772 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.416 10.482 -3.906 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.662 9.928 -5.550 1.00 0.00 H new ATOM 0 HE ARG A 23 5.066 9.278 -5.263 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.671 12.162 -3.970 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.279 13.208 -4.267 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.319 10.645 -5.700 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.389 12.351 -5.243 1.00 0.00 H new ATOM 353 N GLY A 24 4.187 6.279 -2.211 1.00 0.00 N ATOM 354 CA GLY A 24 3.399 5.177 -2.643 1.00 0.00 C ATOM 355 C GLY A 24 3.446 4.053 -1.673 1.00 0.00 C ATOM 356 O GLY A 24 3.981 4.210 -0.571 1.00 0.00 O ATOM 0 H GLY A 24 4.419 6.278 -1.218 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.366 5.499 -2.777 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.755 4.834 -3.615 1.00 0.00 H new ATOM 360 N GLY A 25 2.894 2.941 -2.049 1.00 0.00 N ATOM 361 CA GLY A 25 2.828 1.815 -1.183 1.00 0.00 C ATOM 362 C GLY A 25 2.769 0.548 -1.961 1.00 0.00 C ATOM 363 O GLY A 25 2.550 0.580 -3.173 1.00 0.00 O ATOM 0 H GLY A 25 2.477 2.793 -2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.699 1.804 -0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.949 1.895 -0.543 1.00 0.00 H new ATOM 367 N TRP A 26 2.990 -0.552 -1.304 1.00 0.00 N ATOM 368 CA TRP A 26 2.980 -1.835 -1.945 1.00 0.00 C ATOM 369 C TRP A 26 2.860 -2.910 -0.903 1.00 0.00 C ATOM 370 O TRP A 26 3.228 -2.716 0.255 1.00 0.00 O ATOM 371 CB TRP A 26 4.289 -2.068 -2.755 1.00 0.00 C ATOM 372 CG TRP A 26 5.530 -2.317 -1.922 1.00 0.00 C ATOM 373 CD1 TRP A 26 6.199 -3.493 -1.812 1.00 0.00 C ATOM 374 CD2 TRP A 26 6.228 -1.390 -1.070 1.00 0.00 C ATOM 375 NE1 TRP A 26 7.263 -3.356 -0.965 1.00 0.00 N ATOM 376 CE2 TRP A 26 7.302 -2.086 -0.497 1.00 0.00 C ATOM 377 CE3 TRP A 26 6.051 -0.050 -0.744 1.00 0.00 C ATOM 378 CZ2 TRP A 26 8.193 -1.491 0.382 1.00 0.00 C ATOM 379 CZ3 TRP A 26 6.928 0.545 0.132 1.00 0.00 C ATOM 380 CH2 TRP A 26 7.992 -0.175 0.689 1.00 0.00 C ATOM 0 H TRP A 26 3.183 -0.585 -0.303 1.00 0.00 H new ATOM 0 HA TRP A 26 2.133 -1.867 -2.630 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.140 -2.920 -3.418 1.00 0.00 H new ATOM 0 HB3 TRP A 26 4.465 -1.198 -3.388 1.00 0.00 H new ATOM 0 HD1 TRP A 26 5.929 -4.406 -2.321 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.924 -4.094 -0.723 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.237 0.515 -1.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.015 -2.047 0.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 6.794 1.584 0.395 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.666 0.319 1.374 1.00 0.00 H new ATOM 391 N CYS A 27 2.328 -4.006 -1.290 1.00 0.00 N ATOM 392 CA CYS A 27 2.339 -5.154 -0.449 1.00 0.00 C ATOM 393 C CYS A 27 3.555 -5.949 -0.796 1.00 0.00 C ATOM 394 O CYS A 27 3.866 -6.117 -1.991 1.00 0.00 O ATOM 395 CB CYS A 27 1.110 -6.000 -0.676 1.00 0.00 C ATOM 396 SG CYS A 27 -0.435 -5.160 -0.317 1.00 0.00 S ATOM 0 H CYS A 27 1.873 -4.140 -2.193 1.00 0.00 H new ATOM 0 HA CYS A 27 2.348 -4.847 0.597 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.098 -6.332 -1.714 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.178 -6.894 -0.056 1.00 0.00 H new ATOM 401 N ASP A 28 4.272 -6.393 0.190 1.00 0.00 N ATOM 402 CA ASP A 28 5.424 -7.224 -0.073 1.00 0.00 C ATOM 403 C ASP A 28 4.968 -8.675 -0.076 1.00 0.00 C ATOM 404 O ASP A 28 3.761 -8.945 0.099 1.00 0.00 O ATOM 405 CB ASP A 28 6.568 -6.981 0.937 1.00 0.00 C ATOM 406 CG ASP A 28 6.319 -7.547 2.314 1.00 0.00 C ATOM 407 OD1 ASP A 28 6.678 -8.712 2.559 1.00 0.00 O ATOM 408 OD2 ASP A 28 5.789 -6.830 3.178 1.00 0.00 O ATOM 0 H ASP A 28 4.090 -6.202 1.175 1.00 0.00 H new ATOM 0 HA ASP A 28 5.841 -6.965 -1.046 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.485 -7.416 0.540 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.736 -5.908 1.024 1.00 0.00 H new ATOM 413 N SER A 29 5.885 -9.595 -0.255 1.00 0.00 N ATOM 414 CA SER A 29 5.567 -11.005 -0.365 1.00 0.00 C ATOM 415 C SER A 29 4.906 -11.586 0.902 1.00 0.00 C ATOM 416 O SER A 29 4.202 -12.582 0.834 1.00 0.00 O ATOM 417 CB SER A 29 6.820 -11.772 -0.773 1.00 0.00 C ATOM 418 OG SER A 29 7.936 -11.348 0.004 1.00 0.00 O ATOM 0 H SER A 29 6.881 -9.389 -0.329 1.00 0.00 H new ATOM 0 HA SER A 29 4.811 -11.120 -1.142 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.660 -12.842 -0.638 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.024 -11.612 -1.832 1.00 0.00 H new ATOM 0 HG SER A 29 8.733 -11.850 -0.267 1.00 0.00 H new ATOM 424 N ARG A 30 5.085 -10.929 2.037 1.00 0.00 N ATOM 425 CA ARG A 30 4.480 -11.383 3.290 1.00 0.00 C ATOM 426 C ARG A 30 3.038 -10.885 3.401 1.00 0.00 C ATOM 427 O ARG A 30 2.428 -11.026 4.455 1.00 0.00 O ATOM 428 CB ARG A 30 5.242 -10.834 4.483 1.00 0.00 C ATOM 429 CG ARG A 30 6.708 -11.198 4.561 1.00 0.00 C ATOM 430 CD ARG A 30 7.383 -10.308 5.585 1.00 0.00 C ATOM 431 NE ARG A 30 7.144 -8.893 5.253 1.00 0.00 N ATOM 432 CZ ARG A 30 7.175 -7.862 6.104 1.00 0.00 C ATOM 433 NH1 ARG A 30 7.554 -8.036 7.363 1.00 0.00 N ATOM 434 NH2 ARG A 30 6.805 -6.658 5.679 1.00 0.00 N ATOM 0 H ARG A 30 5.643 -10.079 2.122 1.00 0.00 H new ATOM 0 HA ARG A 30 4.510 -12.473 3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.158 -9.747 4.473 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.753 -11.183 5.393 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.822 -12.246 4.839 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.179 -11.075 3.586 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.998 -10.527 6.581 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.454 -10.510 5.606 1.00 0.00 H new ATOM 0 HE ARG A 30 6.934 -8.678 4.278 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.825 -8.963 7.690 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.574 -7.243 8.004 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.502 -6.529 4.714 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.824 -5.863 6.318 1.00 0.00 H new ATOM 448 N LYS A 31 2.514 -10.263 2.320 1.00 0.00 N ATOM 449 CA LYS A 31 1.135 -9.711 2.283 1.00 0.00 C ATOM 450 C LYS A 31 1.006 -8.502 3.207 1.00 0.00 C ATOM 451 O LYS A 31 -0.100 -8.108 3.589 1.00 0.00 O ATOM 452 CB LYS A 31 0.089 -10.772 2.683 1.00 0.00 C ATOM 453 CG LYS A 31 -0.146 -11.903 1.694 1.00 0.00 C ATOM 454 CD LYS A 31 -0.969 -11.445 0.503 1.00 0.00 C ATOM 455 CE LYS A 31 -1.517 -12.634 -0.274 1.00 0.00 C ATOM 456 NZ LYS A 31 -2.467 -12.220 -1.333 1.00 0.00 N ATOM 0 H LYS A 31 3.031 -10.129 1.451 1.00 0.00 H new ATOM 0 HA LYS A 31 0.944 -9.402 1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.393 -11.209 3.634 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.861 -10.266 2.854 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.813 -12.288 1.347 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.657 -12.725 2.195 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.793 -10.819 0.846 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.353 -10.830 -0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.691 -13.184 -0.724 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.017 -13.316 0.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.148 -12.986 -1.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.977 -11.366 -1.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.944 -12.016 -2.208 1.00 0.00 H new ATOM 470 N VAL A 32 2.117 -7.910 3.547 1.00 0.00 N ATOM 471 CA VAL A 32 2.118 -6.773 4.428 1.00 0.00 C ATOM 472 C VAL A 32 2.139 -5.506 3.605 1.00 0.00 C ATOM 473 O VAL A 32 2.827 -5.433 2.576 1.00 0.00 O ATOM 474 CB VAL A 32 3.324 -6.812 5.420 1.00 0.00 C ATOM 475 CG1 VAL A 32 3.322 -5.607 6.353 1.00 0.00 C ATOM 476 CG2 VAL A 32 3.302 -8.098 6.237 1.00 0.00 C ATOM 0 H VAL A 32 3.041 -8.198 3.225 1.00 0.00 H new ATOM 0 HA VAL A 32 1.211 -6.800 5.031 1.00 0.00 H new ATOM 0 HB VAL A 32 4.237 -6.779 4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.175 -5.668 7.029 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.390 -4.692 5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.400 -5.598 6.934 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.149 -8.108 6.923 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.374 -8.152 6.806 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.367 -8.956 5.567 1.00 0.00 H new ATOM 486 N CYS A 33 1.338 -4.559 4.013 1.00 0.00 N ATOM 487 CA CYS A 33 1.271 -3.277 3.382 1.00 0.00 C ATOM 488 C CYS A 33 2.404 -2.387 3.830 1.00 0.00 C ATOM 489 O CYS A 33 2.537 -2.075 5.018 1.00 0.00 O ATOM 490 CB CYS A 33 -0.068 -2.617 3.656 1.00 0.00 C ATOM 491 SG CYS A 33 -1.370 -3.105 2.525 1.00 0.00 S ATOM 0 H CYS A 33 0.705 -4.662 4.806 1.00 0.00 H new ATOM 0 HA CYS A 33 1.370 -3.427 2.307 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.377 -2.856 4.674 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.055 -1.535 3.606 1.00 0.00 H new ATOM 496 N ASN A 34 3.223 -1.999 2.900 1.00 0.00 N ATOM 497 CA ASN A 34 4.357 -1.157 3.179 1.00 0.00 C ATOM 498 C ASN A 34 4.175 0.130 2.421 1.00 0.00 C ATOM 499 O ASN A 34 3.685 0.116 1.296 1.00 0.00 O ATOM 500 CB ASN A 34 5.661 -1.813 2.714 1.00 0.00 C ATOM 501 CG ASN A 34 5.919 -3.190 3.282 1.00 0.00 C ATOM 502 OD1 ASN A 34 6.529 -3.346 4.339 1.00 0.00 O ATOM 503 ND2 ASN A 34 5.498 -4.192 2.570 1.00 0.00 N ATOM 0 H ASN A 34 3.127 -2.257 1.918 1.00 0.00 H new ATOM 0 HA ASN A 34 4.419 -0.988 4.254 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.649 -1.881 1.626 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.494 -1.163 2.983 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.670 -5.148 2.882 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.995 -4.023 1.699 1.00 0.00 H new ATOM 510 N CYS A 35 4.509 1.228 3.023 1.00 0.00 N ATOM 511 CA CYS A 35 4.410 2.507 2.362 1.00 0.00 C ATOM 512 C CYS A 35 5.790 3.133 2.192 1.00 0.00 C ATOM 513 O CYS A 35 6.534 3.260 3.171 1.00 0.00 O ATOM 514 CB CYS A 35 3.482 3.449 3.136 1.00 0.00 C ATOM 515 SG CYS A 35 1.771 2.840 3.367 1.00 0.00 S ATOM 0 H CYS A 35 4.857 1.272 3.981 1.00 0.00 H new ATOM 0 HA CYS A 35 3.983 2.345 1.372 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.919 3.639 4.117 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.443 4.405 2.614 1.00 0.00 H new ATOM 520 N ARG A 36 6.126 3.498 0.941 1.00 0.00 N ATOM 521 CA ARG A 36 7.374 4.178 0.572 1.00 0.00 C ATOM 522 C ARG A 36 7.483 4.302 -0.948 1.00 0.00 C ATOM 523 O ARG A 36 7.639 5.389 -1.461 1.00 0.00 O ATOM 524 CB ARG A 36 8.625 3.462 1.098 1.00 0.00 C ATOM 525 CG ARG A 36 9.921 4.231 0.856 1.00 0.00 C ATOM 526 CD ARG A 36 11.122 3.504 1.434 1.00 0.00 C ATOM 527 NE ARG A 36 10.982 3.272 2.878 1.00 0.00 N ATOM 528 CZ ARG A 36 11.944 2.816 3.685 1.00 0.00 C ATOM 529 NH1 ARG A 36 13.166 2.613 3.225 1.00 0.00 N ATOM 530 NH2 ARG A 36 11.673 2.579 4.957 1.00 0.00 N ATOM 0 H ARG A 36 5.519 3.322 0.141 1.00 0.00 H new ATOM 0 HA ARG A 36 7.331 5.163 1.036 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.510 3.289 2.168 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.699 2.484 0.623 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.064 4.375 -0.215 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.845 5.222 1.304 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.248 2.549 0.924 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.024 4.087 1.246 1.00 0.00 H new ATOM 0 HE ARG A 36 10.076 3.476 3.299 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.381 2.805 2.247 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.894 2.265 3.848 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.733 2.744 5.318 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.404 2.231 5.578 1.00 0.00 H new ATOM 544 N ARG A 37 7.374 3.174 -1.641 1.00 0.00 N ATOM 545 CA ARG A 37 7.596 3.101 -3.089 1.00 0.00 C ATOM 546 C ARG A 37 6.432 3.681 -3.873 1.00 0.00 C ATOM 547 O ARG A 37 6.500 4.844 -4.277 1.00 0.00 O ATOM 548 CB ARG A 37 7.833 1.649 -3.522 1.00 0.00 C ATOM 549 CG ARG A 37 8.947 0.954 -2.781 1.00 0.00 C ATOM 550 CD ARG A 37 9.134 -0.465 -3.293 1.00 0.00 C ATOM 551 NE ARG A 37 10.124 -1.209 -2.510 1.00 0.00 N ATOM 552 CZ ARG A 37 10.333 -2.536 -2.588 1.00 0.00 C ATOM 553 NH1 ARG A 37 9.658 -3.274 -3.469 1.00 0.00 N ATOM 554 NH2 ARG A 37 11.224 -3.118 -1.788 1.00 0.00 N ATOM 555 OXT ARG A 37 5.445 2.956 -4.110 1.00 0.00 O ATOM 0 H ARG A 37 7.129 2.279 -1.217 1.00 0.00 H new ATOM 0 HA ARG A 37 8.481 3.698 -3.308 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.911 1.085 -3.380 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.056 1.632 -4.589 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.874 1.514 -2.901 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.723 0.934 -1.714 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.179 -0.990 -3.261 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.447 -0.435 -4.337 1.00 0.00 H new ATOM 0 HE ARG A 37 10.700 -0.680 -1.855 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.978 -2.833 -4.089 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.821 -4.279 -3.523 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.748 -2.558 -1.116 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.382 -4.124 -1.847 1.00 0.00 H new TER 569 ARG A 37