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 Set 1.1: A 16 HIS : no HE2:sc= -0.461 X(o=-0.38,f=-0.73) USER MOD Set 1.2: A 20 LYS NZ :NH3+ -159:sc= 0.0793 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.0163 X(o=0.016,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -146:sc= 0.0923 (180deg=0.00875) USER MOD Single : A 34 ASN : amide:sc= 1.16 K(o=1.2,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.466 -2.627 9.314 1.00 0.00 N ATOM 2 CA GLY A 1 -7.298 -1.918 8.352 1.00 0.00 C ATOM 3 C GLY A 1 -7.010 -2.329 6.936 1.00 0.00 C ATOM 4 O GLY A 1 -7.847 -2.941 6.287 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.701 -2.310 10.276 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.638 -3.650 9.235 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.464 -2.428 9.119 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.348 -2.105 8.576 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.136 -0.845 8.456 1.00 0.00 H new ATOM 10 N ILE A 2 -5.828 -2.005 6.450 1.00 0.00 N ATOM 11 CA ILE A 2 -5.451 -2.341 5.088 1.00 0.00 C ATOM 12 C ILE A 2 -5.179 -3.832 4.930 1.00 0.00 C ATOM 13 O ILE A 2 -4.714 -4.495 5.860 1.00 0.00 O ATOM 14 CB ILE A 2 -4.276 -1.474 4.566 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.135 -1.390 5.608 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.771 -0.095 4.143 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.030 -0.410 5.262 1.00 0.00 C ATOM 0 H ILE A 2 -5.110 -1.509 6.978 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.308 -2.103 4.458 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.860 -1.956 3.682 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.561 -1.110 6.571 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.698 -2.381 5.729 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.931 0.497 3.780 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.510 -0.202 3.349 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.226 0.406 4.997 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.276 -0.419 6.049 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.571 -0.698 4.316 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.448 0.593 5.172 1.00 0.00 H new ATOM 29 N THR A 3 -5.507 -4.349 3.791 1.00 0.00 N ATOM 30 CA THR A 3 -5.405 -5.761 3.513 1.00 0.00 C ATOM 31 C THR A 3 -4.829 -5.962 2.116 1.00 0.00 C ATOM 32 O THR A 3 -5.095 -5.164 1.211 1.00 0.00 O ATOM 33 CB THR A 3 -6.817 -6.398 3.564 1.00 0.00 C ATOM 34 OG1 THR A 3 -7.482 -5.989 4.775 1.00 0.00 O ATOM 35 CG2 THR A 3 -6.737 -7.924 3.542 1.00 0.00 C ATOM 0 H THR A 3 -5.861 -3.800 3.008 1.00 0.00 H new ATOM 0 HA THR A 3 -4.757 -6.229 4.254 1.00 0.00 H new ATOM 0 HB THR A 3 -7.372 -6.062 2.688 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.376 -6.389 4.809 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.743 -8.342 3.579 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.242 -8.249 2.627 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.168 -8.271 4.405 1.00 0.00 H new ATOM 43 N CYS A 4 -4.048 -6.992 1.943 1.00 0.00 N ATOM 44 CA CYS A 4 -3.496 -7.300 0.655 1.00 0.00 C ATOM 45 C CYS A 4 -4.145 -8.520 0.076 1.00 0.00 C ATOM 46 O CYS A 4 -4.134 -9.599 0.689 1.00 0.00 O ATOM 47 CB CYS A 4 -2.001 -7.530 0.738 1.00 0.00 C ATOM 48 SG CYS A 4 -1.076 -6.104 1.336 1.00 0.00 S ATOM 0 H CYS A 4 -3.778 -7.637 2.686 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.689 -6.443 0.009 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.809 -8.377 1.396 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.630 -7.804 -0.250 1.00 0.00 H new ATOM 53 N ASP A 5 -4.725 -8.368 -1.073 1.00 0.00 N ATOM 54 CA ASP A 5 -5.248 -9.489 -1.785 1.00 0.00 C ATOM 55 C ASP A 5 -4.223 -9.860 -2.817 1.00 0.00 C ATOM 56 O ASP A 5 -3.834 -11.020 -2.949 1.00 0.00 O ATOM 57 CB ASP A 5 -6.579 -9.165 -2.446 1.00 0.00 C ATOM 58 CG ASP A 5 -7.154 -10.365 -3.164 1.00 0.00 C ATOM 59 OD1 ASP A 5 -7.879 -11.151 -2.529 1.00 0.00 O ATOM 60 OD2 ASP A 5 -6.912 -10.534 -4.374 1.00 0.00 O ATOM 0 H ASP A 5 -4.848 -7.470 -1.540 1.00 0.00 H new ATOM 0 HA ASP A 5 -5.439 -10.315 -1.100 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -7.286 -8.820 -1.691 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -6.444 -8.347 -3.154 1.00 0.00 H new ATOM 65 N LEU A 6 -3.728 -8.854 -3.496 1.00 0.00 N ATOM 66 CA LEU A 6 -2.707 -9.026 -4.467 1.00 0.00 C ATOM 67 C LEU A 6 -1.398 -8.506 -3.924 1.00 0.00 C ATOM 68 O LEU A 6 -1.340 -7.865 -2.874 1.00 0.00 O ATOM 69 CB LEU A 6 -3.048 -8.297 -5.771 1.00 0.00 C ATOM 70 CG LEU A 6 -4.276 -8.791 -6.535 1.00 0.00 C ATOM 71 CD1 LEU A 6 -4.500 -7.936 -7.770 1.00 0.00 C ATOM 72 CD2 LEU A 6 -4.111 -10.255 -6.927 1.00 0.00 C ATOM 0 H LEU A 6 -4.034 -7.888 -3.379 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.623 -10.091 -4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.192 -7.241 -5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.185 -8.365 -6.434 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.147 -8.707 -5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.377 -8.296 -8.308 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.657 -6.900 -7.471 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.626 -7.998 -8.419 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.995 -10.588 -7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.232 -10.365 -7.563 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.987 -10.860 -6.029 1.00 0.00 H new ATOM 84 N ILE A 7 -0.376 -8.799 -4.624 1.00 0.00 N ATOM 85 CA ILE A 7 0.949 -8.364 -4.326 1.00 0.00 C ATOM 86 C ILE A 7 1.368 -7.427 -5.442 1.00 0.00 C ATOM 87 O ILE A 7 1.107 -7.711 -6.612 1.00 0.00 O ATOM 88 CB ILE A 7 1.915 -9.582 -4.229 1.00 0.00 C ATOM 89 CG1 ILE A 7 1.448 -10.521 -3.102 1.00 0.00 C ATOM 90 CG2 ILE A 7 3.360 -9.136 -4.006 1.00 0.00 C ATOM 91 CD1 ILE A 7 2.289 -11.768 -2.929 1.00 0.00 C ATOM 0 H ILE A 7 -0.431 -9.376 -5.463 1.00 0.00 H new ATOM 0 HA ILE A 7 0.985 -7.853 -3.364 1.00 0.00 H new ATOM 0 HB ILE A 7 1.890 -10.121 -5.176 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.446 -9.967 -2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.418 -10.818 -3.299 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.006 -10.012 -3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.680 -8.508 -4.838 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.427 -8.569 -3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.886 -12.369 -2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.272 -12.349 -3.851 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.316 -11.485 -2.698 1.00 0.00 H new ATOM 103 N GLY A 8 1.902 -6.272 -5.079 1.00 0.00 N ATOM 104 CA GLY A 8 2.348 -5.280 -6.058 1.00 0.00 C ATOM 105 C GLY A 8 1.214 -4.510 -6.753 1.00 0.00 C ATOM 106 O GLY A 8 1.328 -3.314 -6.984 1.00 0.00 O ATOM 0 H GLY A 8 2.040 -5.992 -4.108 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.002 -4.565 -5.559 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.947 -5.783 -6.818 1.00 0.00 H new ATOM 110 N ASN A 9 0.119 -5.182 -7.027 1.00 0.00 N ATOM 111 CA ASN A 9 -1.001 -4.629 -7.806 1.00 0.00 C ATOM 112 C ASN A 9 -2.140 -4.255 -6.906 1.00 0.00 C ATOM 113 O ASN A 9 -3.250 -3.965 -7.354 1.00 0.00 O ATOM 114 CB ASN A 9 -1.492 -5.670 -8.819 1.00 0.00 C ATOM 115 CG ASN A 9 -0.488 -5.961 -9.911 1.00 0.00 C ATOM 116 OD1 ASN A 9 -0.502 -5.323 -10.960 1.00 0.00 O ATOM 117 ND2 ASN A 9 0.386 -6.911 -9.689 1.00 0.00 N ATOM 0 H ASN A 9 -0.035 -6.142 -6.718 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.648 -3.738 -8.325 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.726 -6.596 -8.294 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.419 -5.318 -9.272 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.082 -7.140 -10.399 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.371 -7.422 -8.806 1.00 0.00 H new ATOM 124 N GLU A 10 -1.859 -4.223 -5.647 1.00 0.00 N ATOM 125 CA GLU A 10 -2.853 -3.985 -4.649 1.00 0.00 C ATOM 126 C GLU A 10 -3.047 -2.466 -4.420 1.00 0.00 C ATOM 127 O GLU A 10 -2.756 -1.916 -3.348 1.00 0.00 O ATOM 128 CB GLU A 10 -2.462 -4.755 -3.390 1.00 0.00 C ATOM 129 CG GLU A 10 -3.443 -4.686 -2.257 1.00 0.00 C ATOM 130 CD GLU A 10 -4.802 -5.170 -2.641 1.00 0.00 C ATOM 131 OE1 GLU A 10 -5.744 -4.350 -2.693 1.00 0.00 O ATOM 132 OE2 GLU A 10 -4.957 -6.370 -2.934 1.00 0.00 O ATOM 0 H GLU A 10 -0.920 -4.363 -5.274 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.828 -4.351 -4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.315 -5.802 -3.657 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.501 -4.378 -3.039 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.072 -5.282 -1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.514 -3.657 -1.906 1.00 0.00 H new ATOM 139 N ARG A 11 -3.545 -1.806 -5.456 1.00 0.00 N ATOM 140 CA ARG A 11 -3.739 -0.355 -5.473 1.00 0.00 C ATOM 141 C ARG A 11 -4.764 0.100 -4.437 1.00 0.00 C ATOM 142 O ARG A 11 -4.707 1.237 -3.941 1.00 0.00 O ATOM 143 CB ARG A 11 -4.107 0.117 -6.873 1.00 0.00 C ATOM 144 CG ARG A 11 -4.235 1.628 -7.020 1.00 0.00 C ATOM 145 CD ARG A 11 -4.349 2.025 -8.474 1.00 0.00 C ATOM 146 NE ARG A 11 -3.115 1.734 -9.210 1.00 0.00 N ATOM 147 CZ ARG A 11 -3.042 1.423 -10.504 1.00 0.00 C ATOM 148 NH1 ARG A 11 -4.146 1.301 -11.233 1.00 0.00 N ATOM 149 NH2 ARG A 11 -1.859 1.218 -11.064 1.00 0.00 N ATOM 0 H ARG A 11 -3.831 -2.265 -6.321 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.793 0.109 -5.195 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.352 -0.240 -7.573 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.052 -0.344 -7.161 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.112 1.977 -6.475 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.368 2.115 -6.574 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.182 1.492 -8.933 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.574 3.089 -8.545 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.239 1.773 -8.688 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.060 1.446 -10.803 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.080 1.063 -12.223 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.009 1.298 -10.505 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.798 0.980 -12.054 1.00 0.00 H new ATOM 163 N LEU A 12 -5.662 -0.794 -4.081 1.00 0.00 N ATOM 164 CA LEU A 12 -6.643 -0.517 -3.042 1.00 0.00 C ATOM 165 C LEU A 12 -5.964 -0.318 -1.694 1.00 0.00 C ATOM 166 O LEU A 12 -6.511 0.317 -0.807 1.00 0.00 O ATOM 167 CB LEU A 12 -7.713 -1.603 -2.966 1.00 0.00 C ATOM 168 CG LEU A 12 -8.652 -1.699 -4.170 1.00 0.00 C ATOM 169 CD1 LEU A 12 -9.613 -2.863 -4.005 1.00 0.00 C ATOM 170 CD2 LEU A 12 -9.425 -0.400 -4.336 1.00 0.00 C ATOM 0 H LEU A 12 -5.737 -1.723 -4.495 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.148 0.412 -3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.218 -2.566 -2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.314 -1.432 -2.073 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.052 -1.870 -5.064 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.273 -2.915 -4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.049 -3.792 -3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.208 -2.718 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.090 -0.480 -5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.013 -0.210 -3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.726 0.422 -4.493 1.00 0.00 H new ATOM 182 N CYS A 13 -4.786 -0.867 -1.530 1.00 0.00 N ATOM 183 CA CYS A 13 -4.037 -0.591 -0.343 1.00 0.00 C ATOM 184 C CYS A 13 -3.189 0.668 -0.556 1.00 0.00 C ATOM 185 O CYS A 13 -3.104 1.538 0.315 1.00 0.00 O ATOM 186 CB CYS A 13 -3.174 -1.771 0.085 1.00 0.00 C ATOM 187 SG CYS A 13 -2.192 -1.384 1.550 1.00 0.00 S ATOM 0 H CYS A 13 -4.336 -1.497 -2.195 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.742 -0.418 0.470 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.811 -2.632 0.291 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -2.511 -2.053 -0.733 1.00 0.00 H new ATOM 192 N VAL A 14 -2.625 0.784 -1.769 1.00 0.00 N ATOM 193 CA VAL A 14 -1.735 1.898 -2.165 1.00 0.00 C ATOM 194 C VAL A 14 -2.401 3.263 -1.935 1.00 0.00 C ATOM 195 O VAL A 14 -1.731 4.237 -1.550 1.00 0.00 O ATOM 196 CB VAL A 14 -1.322 1.780 -3.663 1.00 0.00 C ATOM 197 CG1 VAL A 14 -0.359 2.887 -4.067 1.00 0.00 C ATOM 198 CG2 VAL A 14 -0.711 0.424 -3.953 1.00 0.00 C ATOM 0 H VAL A 14 -2.773 0.102 -2.513 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.847 1.829 -1.537 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.230 1.888 -4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.093 2.772 -5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.835 3.856 -3.917 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.542 2.827 -3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.432 0.368 -5.005 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.176 0.285 -3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.437 -0.358 -3.728 1.00 0.00 H new ATOM 208 N VAL A 15 -3.718 3.320 -2.146 1.00 0.00 N ATOM 209 CA VAL A 15 -4.496 4.549 -1.958 1.00 0.00 C ATOM 210 C VAL A 15 -4.312 5.127 -0.531 1.00 0.00 C ATOM 211 O VAL A 15 -4.276 6.336 -0.354 1.00 0.00 O ATOM 212 CB VAL A 15 -6.014 4.345 -2.291 1.00 0.00 C ATOM 213 CG1 VAL A 15 -6.688 3.390 -1.328 1.00 0.00 C ATOM 214 CG2 VAL A 15 -6.760 5.670 -2.356 1.00 0.00 C ATOM 0 H VAL A 15 -4.274 2.521 -2.450 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.105 5.278 -2.668 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.055 3.890 -3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.738 3.281 -1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.198 2.418 -1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.614 3.783 -0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.809 5.486 -2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.686 6.177 -1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.321 6.297 -3.132 1.00 0.00 H new ATOM 224 N HIS A 16 -4.114 4.249 0.454 1.00 0.00 N ATOM 225 CA HIS A 16 -3.886 4.663 1.838 1.00 0.00 C ATOM 226 C HIS A 16 -2.563 5.413 1.948 1.00 0.00 C ATOM 227 O HIS A 16 -2.471 6.474 2.574 1.00 0.00 O ATOM 228 CB HIS A 16 -3.918 3.429 2.778 1.00 0.00 C ATOM 229 CG HIS A 16 -3.433 3.677 4.189 1.00 0.00 C ATOM 230 ND1 HIS A 16 -4.108 4.418 5.135 1.00 0.00 N ATOM 231 CD2 HIS A 16 -2.282 3.284 4.779 1.00 0.00 C ATOM 232 CE1 HIS A 16 -3.358 4.459 6.243 1.00 0.00 C ATOM 233 NE2 HIS A 16 -2.236 3.781 6.079 1.00 0.00 N ATOM 0 H HIS A 16 -4.107 3.238 0.316 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.683 5.339 2.147 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -4.941 3.054 2.824 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -3.309 2.640 2.336 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -5.020 4.858 5.012 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.517 2.679 4.315 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -3.633 4.977 7.150 1.00 0.00 H new ATOM 241 N CYS A 17 -1.563 4.890 1.296 1.00 0.00 N ATOM 242 CA CYS A 17 -0.244 5.484 1.306 1.00 0.00 C ATOM 243 C CYS A 17 -0.285 6.836 0.595 1.00 0.00 C ATOM 244 O CYS A 17 0.289 7.828 1.074 1.00 0.00 O ATOM 245 CB CYS A 17 0.739 4.543 0.626 1.00 0.00 C ATOM 246 SG CYS A 17 0.637 2.824 1.236 1.00 0.00 S ATOM 0 H CYS A 17 -1.634 4.038 0.740 1.00 0.00 H new ATOM 0 HA CYS A 17 0.083 5.645 2.333 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.555 4.551 -0.448 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.752 4.915 0.778 1.00 0.00 H new ATOM 251 N LEU A 18 -1.030 6.891 -0.496 1.00 0.00 N ATOM 252 CA LEU A 18 -1.172 8.111 -1.285 1.00 0.00 C ATOM 253 C LEU A 18 -1.979 9.157 -0.511 1.00 0.00 C ATOM 254 O LEU A 18 -1.746 10.364 -0.646 1.00 0.00 O ATOM 255 CB LEU A 18 -1.858 7.799 -2.617 1.00 0.00 C ATOM 256 CG LEU A 18 -1.172 6.748 -3.497 1.00 0.00 C ATOM 257 CD1 LEU A 18 -1.996 6.483 -4.741 1.00 0.00 C ATOM 258 CD2 LEU A 18 0.243 7.179 -3.874 1.00 0.00 C ATOM 0 H LEU A 18 -1.554 6.096 -0.862 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.179 8.514 -1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.874 7.463 -2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.938 8.725 -3.187 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.097 5.825 -2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.496 5.735 -5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.982 6.117 -4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.104 7.407 -5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.703 6.413 -4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.203 8.119 -4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.836 7.314 -2.969 1.00 0.00 H new ATOM 270 N ALA A 19 -2.909 8.686 0.308 1.00 0.00 N ATOM 271 CA ALA A 19 -3.717 9.549 1.154 1.00 0.00 C ATOM 272 C ALA A 19 -2.877 10.115 2.284 1.00 0.00 C ATOM 273 O ALA A 19 -3.092 11.241 2.728 1.00 0.00 O ATOM 274 CB ALA A 19 -4.905 8.789 1.710 1.00 0.00 C ATOM 0 H ALA A 19 -3.124 7.693 0.404 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.090 10.375 0.548 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.498 9.451 2.341 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.520 8.424 0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.552 7.944 2.302 1.00 0.00 H new ATOM 280 N LYS A 20 -1.934 9.321 2.769 1.00 0.00 N ATOM 281 CA LYS A 20 -1.018 9.788 3.800 1.00 0.00 C ATOM 282 C LYS A 20 0.011 10.732 3.221 1.00 0.00 C ATOM 283 O LYS A 20 0.533 11.604 3.914 1.00 0.00 O ATOM 284 CB LYS A 20 -0.322 8.634 4.518 1.00 0.00 C ATOM 285 CG LYS A 20 -1.262 7.772 5.324 1.00 0.00 C ATOM 286 CD LYS A 20 -0.518 6.797 6.221 1.00 0.00 C ATOM 287 CE LYS A 20 0.241 5.734 5.460 1.00 0.00 C ATOM 288 NZ LYS A 20 0.815 4.735 6.390 1.00 0.00 N ATOM 0 H LYS A 20 -1.783 8.358 2.469 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.619 10.323 4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.187 8.012 3.781 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.445 9.038 5.179 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.903 8.408 5.934 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.913 7.217 4.649 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.180 7.352 6.847 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.231 6.314 6.889 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.425 5.240 4.753 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.038 6.196 4.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.600 4.238 5.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.167 5.216 7.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.081 4.049 6.658 1.00 0.00 H new ATOM 302 N GLY A 21 0.318 10.551 1.971 1.00 0.00 N ATOM 303 CA GLY A 21 1.248 11.429 1.330 1.00 0.00 C ATOM 304 C GLY A 21 2.572 10.773 1.116 1.00 0.00 C ATOM 305 O GLY A 21 3.600 11.438 1.037 1.00 0.00 O ATOM 0 H GLY A 21 -0.059 9.810 1.380 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.842 11.751 0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.380 12.325 1.937 1.00 0.00 H new ATOM 309 N PHE A 22 2.549 9.465 1.054 1.00 0.00 N ATOM 310 CA PHE A 22 3.720 8.672 0.788 1.00 0.00 C ATOM 311 C PHE A 22 3.971 8.617 -0.691 1.00 0.00 C ATOM 312 O PHE A 22 3.067 8.886 -1.485 1.00 0.00 O ATOM 313 CB PHE A 22 3.557 7.254 1.368 1.00 0.00 C ATOM 314 CG PHE A 22 4.133 7.111 2.721 1.00 0.00 C ATOM 315 CD1 PHE A 22 3.461 7.576 3.829 1.00 0.00 C ATOM 316 CD2 PHE A 22 5.363 6.512 2.887 1.00 0.00 C ATOM 317 CE1 PHE A 22 4.008 7.447 5.081 1.00 0.00 C ATOM 318 CE2 PHE A 22 5.913 6.379 4.127 1.00 0.00 C ATOM 319 CZ PHE A 22 5.240 6.847 5.234 1.00 0.00 C ATOM 0 H PHE A 22 1.702 8.914 1.189 1.00 0.00 H new ATOM 0 HA PHE A 22 4.579 9.136 1.272 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.497 7.002 1.402 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.034 6.537 0.699 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.496 8.046 3.712 1.00 0.00 H new ATOM 0 HD2 PHE A 22 5.898 6.143 2.024 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.474 7.815 5.945 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.877 5.906 4.242 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.675 6.744 6.217 1.00 0.00 H new ATOM 329 N ARG A 23 5.179 8.244 -1.070 1.00 0.00 N ATOM 330 CA ARG A 23 5.539 8.159 -2.480 1.00 0.00 C ATOM 331 C ARG A 23 4.923 6.907 -3.036 1.00 0.00 C ATOM 332 O ARG A 23 4.737 6.762 -4.253 1.00 0.00 O ATOM 333 CB ARG A 23 7.063 8.144 -2.720 1.00 0.00 C ATOM 334 CG ARG A 23 7.849 9.399 -2.316 1.00 0.00 C ATOM 335 CD ARG A 23 7.789 9.697 -0.823 1.00 0.00 C ATOM 336 NE ARG A 23 8.223 8.560 0.010 1.00 0.00 N ATOM 337 CZ ARG A 23 8.201 8.540 1.354 1.00 0.00 C ATOM 338 NH1 ARG A 23 7.749 9.590 2.037 1.00 0.00 N ATOM 339 NH2 ARG A 23 8.627 7.472 2.009 1.00 0.00 N ATOM 0 H ARG A 23 5.929 7.995 -0.425 1.00 0.00 H new ATOM 0 HA ARG A 23 5.163 9.051 -2.982 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.482 7.295 -2.180 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.236 7.964 -3.781 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.891 9.277 -2.613 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.459 10.256 -2.866 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.417 10.561 -0.605 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.769 9.969 -0.553 1.00 0.00 H new ATOM 0 HE ARG A 23 8.565 7.727 -0.469 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.416 10.417 1.540 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.735 9.568 3.057 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.973 6.662 1.494 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.610 7.459 3.029 1.00 0.00 H new ATOM 353 N GLY A 24 4.572 6.013 -2.132 1.00 0.00 N ATOM 354 CA GLY A 24 3.872 4.860 -2.511 1.00 0.00 C ATOM 355 C GLY A 24 3.883 3.757 -1.492 1.00 0.00 C ATOM 356 O GLY A 24 4.663 3.757 -0.469 1.00 0.00 O ATOM 0 H GLY A 24 4.773 6.088 -1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.838 5.132 -2.721 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.298 4.482 -3.441 1.00 0.00 H new ATOM 360 N GLY A 25 3.007 2.842 -1.751 1.00 0.00 N ATOM 361 CA GLY A 25 2.792 1.729 -0.936 1.00 0.00 C ATOM 362 C GLY A 25 2.554 0.555 -1.794 1.00 0.00 C ATOM 363 O GLY A 25 2.159 0.716 -2.937 1.00 0.00 O ATOM 0 H GLY A 25 2.405 2.866 -2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.656 1.559 -0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.937 1.899 -0.282 1.00 0.00 H new ATOM 367 N TRP A 26 2.840 -0.599 -1.294 1.00 0.00 N ATOM 368 CA TRP A 26 2.688 -1.806 -2.053 1.00 0.00 C ATOM 369 C TRP A 26 2.670 -2.975 -1.127 1.00 0.00 C ATOM 370 O TRP A 26 3.237 -2.925 -0.027 1.00 0.00 O ATOM 371 CB TRP A 26 3.840 -1.982 -3.090 1.00 0.00 C ATOM 372 CG TRP A 26 5.224 -2.204 -2.496 1.00 0.00 C ATOM 373 CD1 TRP A 26 5.977 -3.333 -2.570 1.00 0.00 C ATOM 374 CD2 TRP A 26 5.995 -1.279 -1.725 1.00 0.00 C ATOM 375 NE1 TRP A 26 7.169 -3.137 -1.907 1.00 0.00 N ATOM 376 CE2 TRP A 26 7.190 -1.903 -1.380 1.00 0.00 C ATOM 377 CE3 TRP A 26 5.782 0.005 -1.306 1.00 0.00 C ATOM 378 CZ2 TRP A 26 8.164 -1.276 -0.630 1.00 0.00 C ATOM 379 CZ3 TRP A 26 6.719 0.633 -0.568 1.00 0.00 C ATOM 380 CH2 TRP A 26 7.906 0.004 -0.227 1.00 0.00 C ATOM 0 H TRP A 26 3.187 -0.739 -0.345 1.00 0.00 H new ATOM 0 HA TRP A 26 1.748 -1.744 -2.601 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.600 -2.827 -3.735 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.873 -1.097 -3.725 1.00 0.00 H new ATOM 0 HD1 TRP A 26 5.686 -4.244 -3.072 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.919 -3.824 -1.829 1.00 0.00 H new ATOM 0 HE3 TRP A 26 4.866 0.514 -1.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.087 -1.774 -0.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 6.541 1.645 -0.236 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.638 0.533 0.366 1.00 0.00 H new ATOM 391 N CYS A 27 1.999 -3.986 -1.536 1.00 0.00 N ATOM 392 CA CYS A 27 2.009 -5.209 -0.826 1.00 0.00 C ATOM 393 C CYS A 27 3.155 -6.018 -1.309 1.00 0.00 C ATOM 394 O CYS A 27 3.292 -6.250 -2.527 1.00 0.00 O ATOM 395 CB CYS A 27 0.714 -5.948 -1.019 1.00 0.00 C ATOM 396 SG CYS A 27 -0.689 -5.061 -0.338 1.00 0.00 S ATOM 0 H CYS A 27 1.424 -3.989 -2.378 1.00 0.00 H new ATOM 0 HA CYS A 27 2.116 -5.017 0.242 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.551 -6.118 -2.083 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.784 -6.928 -0.547 1.00 0.00 H new ATOM 401 N ASP A 28 4.003 -6.393 -0.407 1.00 0.00 N ATOM 402 CA ASP A 28 5.168 -7.166 -0.760 1.00 0.00 C ATOM 403 C ASP A 28 4.830 -8.655 -0.654 1.00 0.00 C ATOM 404 O ASP A 28 3.668 -9.013 -0.391 1.00 0.00 O ATOM 405 CB ASP A 28 6.371 -6.791 0.129 1.00 0.00 C ATOM 406 CG ASP A 28 6.297 -7.364 1.524 1.00 0.00 C ATOM 407 OD1 ASP A 28 5.754 -6.717 2.412 1.00 0.00 O ATOM 408 OD2 ASP A 28 6.803 -8.474 1.747 1.00 0.00 O ATOM 0 H ASP A 28 3.917 -6.179 0.587 1.00 0.00 H new ATOM 0 HA ASP A 28 5.455 -6.943 -1.788 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.287 -7.139 -0.349 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.438 -5.705 0.195 1.00 0.00 H new ATOM 413 N SER A 29 5.822 -9.508 -0.836 1.00 0.00 N ATOM 414 CA SER A 29 5.651 -10.958 -0.838 1.00 0.00 C ATOM 415 C SER A 29 5.086 -11.504 0.495 1.00 0.00 C ATOM 416 O SER A 29 4.476 -12.571 0.528 1.00 0.00 O ATOM 417 CB SER A 29 6.990 -11.601 -1.147 1.00 0.00 C ATOM 418 OG SER A 29 7.552 -11.023 -2.328 1.00 0.00 O ATOM 0 H SER A 29 6.786 -9.213 -0.989 1.00 0.00 H new ATOM 0 HA SER A 29 4.915 -11.209 -1.602 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.670 -11.464 -0.307 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.864 -12.675 -1.283 1.00 0.00 H new ATOM 0 HG SER A 29 8.417 -11.443 -2.518 1.00 0.00 H new ATOM 424 N ARG A 30 5.260 -10.760 1.574 1.00 0.00 N ATOM 425 CA ARG A 30 4.769 -11.181 2.885 1.00 0.00 C ATOM 426 C ARG A 30 3.296 -10.810 3.069 1.00 0.00 C ATOM 427 O ARG A 30 2.750 -11.000 4.153 1.00 0.00 O ATOM 428 CB ARG A 30 5.568 -10.503 3.986 1.00 0.00 C ATOM 429 CG ARG A 30 7.060 -10.764 3.970 1.00 0.00 C ATOM 430 CD ARG A 30 7.747 -9.776 4.882 1.00 0.00 C ATOM 431 NE ARG A 30 7.394 -8.411 4.476 1.00 0.00 N ATOM 432 CZ ARG A 30 7.405 -7.326 5.249 1.00 0.00 C ATOM 433 NH1 ARG A 30 7.875 -7.382 6.485 1.00 0.00 N ATOM 434 NH2 ARG A 30 6.924 -6.193 4.765 1.00 0.00 N ATOM 0 H ARG A 30 5.738 -9.859 1.573 1.00 0.00 H new ATOM 0 HA ARG A 30 4.881 -12.264 2.943 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.405 -9.427 3.918 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.172 -10.825 4.949 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.266 -11.783 4.297 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.447 -10.670 2.955 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.447 -9.949 5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.827 -9.913 4.837 1.00 0.00 H new ATOM 0 HE ARG A 30 7.112 -8.280 3.505 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.234 -8.262 6.855 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.878 -6.545 7.068 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.553 -6.161 3.815 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.924 -5.352 5.341 1.00 0.00 H new ATOM 448 N LYS A 31 2.667 -10.250 2.009 1.00 0.00 N ATOM 449 CA LYS A 31 1.246 -9.807 2.034 1.00 0.00 C ATOM 450 C LYS A 31 1.080 -8.593 2.943 1.00 0.00 C ATOM 451 O LYS A 31 -0.022 -8.289 3.422 1.00 0.00 O ATOM 452 CB LYS A 31 0.292 -10.938 2.478 1.00 0.00 C ATOM 453 CG LYS A 31 0.167 -12.111 1.516 1.00 0.00 C ATOM 454 CD LYS A 31 -0.592 -11.741 0.246 1.00 0.00 C ATOM 455 CE LYS A 31 -0.820 -12.977 -0.614 1.00 0.00 C ATOM 456 NZ LYS A 31 -1.679 -12.712 -1.788 1.00 0.00 N ATOM 0 H LYS A 31 3.126 -10.091 1.112 1.00 0.00 H new ATOM 0 HA LYS A 31 0.977 -9.532 1.014 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.631 -11.317 3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.699 -10.512 2.634 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.162 -12.468 1.251 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.344 -12.934 2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.549 -11.289 0.505 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.030 -10.996 -0.318 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.143 -13.359 -0.954 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.276 -13.758 -0.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.257 -13.552 -1.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.302 -11.904 -1.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.083 -12.493 -2.612 1.00 0.00 H new ATOM 470 N VAL A 32 2.163 -7.887 3.146 1.00 0.00 N ATOM 471 CA VAL A 32 2.164 -6.722 3.981 1.00 0.00 C ATOM 472 C VAL A 32 2.059 -5.483 3.125 1.00 0.00 C ATOM 473 O VAL A 32 2.717 -5.382 2.078 1.00 0.00 O ATOM 474 CB VAL A 32 3.455 -6.642 4.859 1.00 0.00 C ATOM 475 CG1 VAL A 32 3.456 -5.403 5.747 1.00 0.00 C ATOM 476 CG2 VAL A 32 3.604 -7.886 5.712 1.00 0.00 C ATOM 0 H VAL A 32 3.070 -8.108 2.734 1.00 0.00 H new ATOM 0 HA VAL A 32 1.305 -6.789 4.649 1.00 0.00 H new ATOM 0 HB VAL A 32 4.303 -6.573 4.178 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.369 -5.383 6.342 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.408 -4.509 5.125 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.591 -5.430 6.410 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.509 -7.808 6.314 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.739 -7.983 6.368 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.671 -8.763 5.068 1.00 0.00 H new ATOM 486 N CYS A 33 1.175 -4.603 3.526 1.00 0.00 N ATOM 487 CA CYS A 33 1.051 -3.295 2.951 1.00 0.00 C ATOM 488 C CYS A 33 2.168 -2.433 3.475 1.00 0.00 C ATOM 489 O CYS A 33 2.259 -2.209 4.681 1.00 0.00 O ATOM 490 CB CYS A 33 -0.272 -2.661 3.349 1.00 0.00 C ATOM 491 SG CYS A 33 -1.719 -3.149 2.392 1.00 0.00 S ATOM 0 H CYS A 33 0.510 -4.784 4.277 1.00 0.00 H new ATOM 0 HA CYS A 33 1.096 -3.379 1.865 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.461 -2.896 4.397 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.166 -1.578 3.279 1.00 0.00 H new ATOM 496 N ASN A 34 3.027 -1.985 2.615 1.00 0.00 N ATOM 497 CA ASN A 34 4.136 -1.167 3.037 1.00 0.00 C ATOM 498 C ASN A 34 4.037 0.173 2.384 1.00 0.00 C ATOM 499 O ASN A 34 4.117 0.254 1.183 1.00 0.00 O ATOM 500 CB ASN A 34 5.486 -1.778 2.607 1.00 0.00 C ATOM 501 CG ASN A 34 5.681 -3.216 3.012 1.00 0.00 C ATOM 502 OD1 ASN A 34 6.187 -3.520 4.092 1.00 0.00 O ATOM 503 ND2 ASN A 34 5.312 -4.107 2.141 1.00 0.00 N ATOM 0 H ASN A 34 2.988 -2.168 1.612 1.00 0.00 H new ATOM 0 HA ASN A 34 4.094 -1.095 4.124 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.574 -1.704 1.523 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.292 -1.181 3.034 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.438 -5.099 2.342 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.896 -3.814 1.257 1.00 0.00 H new ATOM 510 N CYS A 35 3.795 1.200 3.140 1.00 0.00 N ATOM 511 CA CYS A 35 3.908 2.549 2.615 1.00 0.00 C ATOM 512 C CYS A 35 5.262 2.986 3.052 1.00 0.00 C ATOM 513 O CYS A 35 5.503 3.118 4.268 1.00 0.00 O ATOM 514 CB CYS A 35 2.870 3.501 3.223 1.00 0.00 C ATOM 515 SG CYS A 35 1.133 2.925 3.200 1.00 0.00 S ATOM 0 H CYS A 35 3.518 1.143 4.120 1.00 0.00 H new ATOM 0 HA CYS A 35 3.749 2.564 1.537 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.151 3.699 4.257 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.923 4.451 2.691 1.00 0.00 H new ATOM 520 N ARG A 36 6.167 3.201 2.127 1.00 0.00 N ATOM 521 CA ARG A 36 7.545 3.416 2.569 1.00 0.00 C ATOM 522 C ARG A 36 8.396 3.980 1.481 1.00 0.00 C ATOM 523 O ARG A 36 9.249 4.829 1.724 1.00 0.00 O ATOM 524 CB ARG A 36 8.120 2.091 3.072 1.00 0.00 C ATOM 525 CG ARG A 36 9.477 2.186 3.707 1.00 0.00 C ATOM 526 CD ARG A 36 9.893 0.852 4.280 1.00 0.00 C ATOM 527 NE ARG A 36 11.159 0.938 4.997 1.00 0.00 N ATOM 528 CZ ARG A 36 11.781 -0.088 5.599 1.00 0.00 C ATOM 529 NH1 ARG A 36 11.275 -1.326 5.532 1.00 0.00 N ATOM 530 NH2 ARG A 36 12.902 0.124 6.278 1.00 0.00 N ATOM 0 H ARG A 36 6.003 3.233 1.121 1.00 0.00 H new ATOM 0 HA ARG A 36 7.540 4.147 3.377 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.426 1.663 3.796 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.176 1.396 2.234 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.208 2.514 2.968 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.463 2.938 4.496 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.118 0.489 4.955 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.981 0.123 3.475 1.00 0.00 H new ATOM 0 HE ARG A 36 11.609 1.852 5.045 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.409 -1.496 5.020 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.755 -2.099 5.993 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.289 1.065 6.342 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.376 -0.655 6.736 1.00 0.00 H new ATOM 544 N ARG A 37 8.169 3.511 0.297 1.00 0.00 N ATOM 545 CA ARG A 37 8.875 3.981 -0.846 1.00 0.00 C ATOM 546 C ARG A 37 8.426 5.412 -1.086 1.00 0.00 C ATOM 547 O ARG A 37 9.276 6.300 -1.251 1.00 0.00 O ATOM 548 CB ARG A 37 8.637 3.064 -2.078 1.00 0.00 C ATOM 549 CG ARG A 37 7.254 3.144 -2.695 1.00 0.00 C ATOM 550 CD ARG A 37 7.136 2.244 -3.914 1.00 0.00 C ATOM 551 NE ARG A 37 5.796 2.304 -4.524 1.00 0.00 N ATOM 552 CZ ARG A 37 5.130 1.249 -5.029 1.00 0.00 C ATOM 553 NH1 ARG A 37 5.706 0.048 -5.079 1.00 0.00 N ATOM 554 NH2 ARG A 37 3.899 1.405 -5.499 1.00 0.00 N ATOM 555 OXT ARG A 37 7.217 5.675 -0.957 1.00 0.00 O ATOM 0 H ARG A 37 7.482 2.784 0.096 1.00 0.00 H new ATOM 0 HA ARG A 37 9.952 3.956 -0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.372 3.315 -2.843 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.824 2.032 -1.782 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.507 2.856 -1.955 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.040 4.174 -2.980 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.883 2.536 -4.652 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.357 1.216 -3.627 1.00 0.00 H new ATOM 0 HE ARG A 37 5.338 3.214 -4.567 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.658 -0.076 -4.733 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.195 -0.747 -5.463 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.458 2.324 -5.478 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.394 0.606 -5.882 1.00 0.00 H new TER 569 ARG A 37