USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 291 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 NoAdj-H: A 27 HIS HE2 : A 27 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.00537 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.112) USER MOD Single : A 3 GLN :FLIP amide:sc= -0.226 F(o=-0.85,f=-0.23) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot -48:sc= 0.122 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -1.17 K(o=-1.2,f=-1.7) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.0507 X(o=-0.051,f=0) USER MOD Single : A 14 ASN : amide:sc= -2.27! C(o=-2.3!,f=-2.9!) USER MOD Single : A 20 SER OG : rot -26:sc= 1.02 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.0724 X(o=-0.072,f=-0.072) USER MOD Single : A 33 SER OG : rot -32:sc= 0.247 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.746 4.589 2.412 1.00 0.00 N ATOM 2 CA GLY A 1 -25.483 4.056 3.542 1.00 0.00 C ATOM 3 C GLY A 1 -24.702 4.238 4.801 1.00 0.00 C ATOM 4 O GLY A 1 -24.233 5.347 5.080 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.401 5.079 1.770 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.028 5.260 2.751 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.280 3.811 1.903 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.446 4.560 3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.690 2.998 3.384 1.00 0.00 H new ATOM 10 N LYS A 2 -24.526 3.165 5.552 1.00 0.00 N ATOM 11 CA LYS A 2 -23.771 3.213 6.789 1.00 0.00 C ATOM 12 C LYS A 2 -22.313 2.933 6.521 1.00 0.00 C ATOM 13 O LYS A 2 -21.434 3.350 7.295 1.00 0.00 O ATOM 14 CB LYS A 2 -24.283 2.195 7.813 1.00 0.00 C ATOM 15 CG LYS A 2 -25.702 2.409 8.286 1.00 0.00 C ATOM 16 CD LYS A 2 -26.064 1.384 9.349 1.00 0.00 C ATOM 17 CE LYS A 2 -27.482 1.558 9.851 1.00 0.00 C ATOM 18 NZ LYS A 2 -27.701 2.871 10.498 1.00 0.00 N ATOM 0 H LYS A 2 -24.899 2.244 5.323 1.00 0.00 H new ATOM 0 HA LYS A 2 -23.897 4.215 7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -24.210 1.199 7.377 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -23.622 2.213 8.680 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -25.810 3.416 8.690 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -26.389 2.328 7.444 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -25.946 0.381 8.939 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -25.371 1.470 10.186 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -28.175 1.449 9.016 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -27.712 0.764 10.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -28.635 2.881 10.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -26.963 3.033 11.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -27.660 3.623 9.781 1.00 0.00 H new ATOM 32 N GLN A 3 -22.035 2.232 5.440 1.00 0.00 N ATOM 33 CA GLN A 3 -20.687 1.871 5.126 1.00 0.00 C ATOM 34 C GLN A 3 -19.905 3.013 4.525 1.00 0.00 C ATOM 35 O GLN A 3 -19.815 3.179 3.308 1.00 0.00 O ATOM 36 CB GLN A 3 -20.571 0.586 4.292 1.00 0.00 C ATOM 37 CG GLN A 3 -21.093 -0.657 5.006 1.00 0.00 C ATOM 38 CD GLN A 3 -20.378 -0.962 6.321 1.00 0.00 C ATOM 39 OE1 GLN A 3 -19.100 -0.656 6.412 1.00 0.00 O flip ATOM 40 NE2 GLN A 3 -20.973 -1.499 7.242 1.00 0.00 N flip ATOM 0 H GLN A 3 -22.732 1.906 4.771 1.00 0.00 H new ATOM 0 HA GLN A 3 -20.223 1.641 6.085 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -21.121 0.717 3.360 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -19.526 0.429 4.026 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -22.157 -0.530 5.204 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -20.992 -1.515 4.341 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -21.963 -1.726 7.146 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -20.480 -1.721 8.107 1.00 0.00 H new ATOM 49 N GLN A 4 -19.464 3.860 5.408 1.00 0.00 N ATOM 50 CA GLN A 4 -18.521 4.915 5.112 1.00 0.00 C ATOM 51 C GLN A 4 -17.151 4.338 5.427 1.00 0.00 C ATOM 52 O GLN A 4 -16.119 4.745 4.893 1.00 0.00 O ATOM 53 CB GLN A 4 -18.816 6.107 6.007 1.00 0.00 C ATOM 54 CG GLN A 4 -20.224 6.645 5.839 1.00 0.00 C ATOM 55 CD GLN A 4 -20.569 7.693 6.858 1.00 0.00 C ATOM 56 OE1 GLN A 4 -20.353 8.878 6.649 1.00 0.00 O ATOM 57 NE2 GLN A 4 -21.100 7.269 7.967 1.00 0.00 N ATOM 0 H GLN A 4 -19.755 3.841 6.385 1.00 0.00 H new ATOM 0 HA GLN A 4 -18.578 5.251 4.077 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -18.666 5.818 7.047 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -18.102 6.902 5.790 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -20.331 7.067 4.840 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -20.935 5.822 5.915 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -21.265 6.272 8.105 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -21.351 7.934 8.699 1.00 0.00 H new ATOM 66 N GLU A 5 -17.197 3.336 6.283 1.00 0.00 N ATOM 67 CA GLU A 5 -16.075 2.535 6.699 1.00 0.00 C ATOM 68 C GLU A 5 -16.096 1.297 5.786 1.00 0.00 C ATOM 69 O GLU A 5 -16.243 0.161 6.227 1.00 0.00 O ATOM 70 CB GLU A 5 -16.322 2.131 8.158 1.00 0.00 C ATOM 71 CG GLU A 5 -15.178 1.427 8.859 1.00 0.00 C ATOM 72 CD GLU A 5 -15.607 0.911 10.203 1.00 0.00 C ATOM 73 OE1 GLU A 5 -15.860 1.728 11.123 1.00 0.00 O ATOM 74 OE2 GLU A 5 -15.767 -0.319 10.349 1.00 0.00 O ATOM 0 H GLU A 5 -18.068 3.048 6.728 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.116 3.049 6.630 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -16.571 3.028 8.725 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -17.196 1.481 8.190 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.824 0.600 8.244 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.342 2.116 8.980 1.00 0.00 H new ATOM 81 N SER A 6 -16.046 1.562 4.517 1.00 0.00 N ATOM 82 CA SER A 6 -16.167 0.569 3.484 1.00 0.00 C ATOM 83 C SER A 6 -14.980 -0.399 3.452 1.00 0.00 C ATOM 84 O SER A 6 -13.877 -0.083 3.925 1.00 0.00 O ATOM 85 CB SER A 6 -16.233 1.305 2.176 1.00 0.00 C ATOM 86 OG SER A 6 -17.086 2.423 2.283 1.00 0.00 O ATOM 0 H SER A 6 -15.915 2.507 4.155 1.00 0.00 H new ATOM 0 HA SER A 6 -17.057 -0.030 3.673 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.234 1.628 1.883 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.594 0.637 1.394 1.00 0.00 H new ATOM 0 HG SER A 6 -17.929 2.152 2.702 1.00 0.00 H new ATOM 92 N SER A 7 -15.208 -1.560 2.881 1.00 0.00 N ATOM 93 CA SER A 7 -14.180 -2.536 2.689 1.00 0.00 C ATOM 94 C SER A 7 -13.393 -2.119 1.440 1.00 0.00 C ATOM 95 O SER A 7 -13.703 -2.522 0.322 1.00 0.00 O ATOM 96 CB SER A 7 -14.814 -3.939 2.520 1.00 0.00 C ATOM 97 OG SER A 7 -13.837 -4.962 2.427 1.00 0.00 O ATOM 0 H SER A 7 -16.124 -1.848 2.536 1.00 0.00 H new ATOM 0 HA SER A 7 -13.511 -2.589 3.548 1.00 0.00 H new ATOM 0 HB2 SER A 7 -15.471 -4.143 3.365 1.00 0.00 H new ATOM 0 HB3 SER A 7 -15.435 -3.950 1.624 1.00 0.00 H new ATOM 0 HG SER A 7 -14.281 -5.830 2.323 1.00 0.00 H new ATOM 103 N GLN A 8 -12.459 -1.225 1.633 1.00 0.00 N ATOM 104 CA GLN A 8 -11.691 -0.660 0.539 1.00 0.00 C ATOM 105 C GLN A 8 -10.220 -0.873 0.731 1.00 0.00 C ATOM 106 O GLN A 8 -9.408 -0.235 0.079 1.00 0.00 O ATOM 107 CB GLN A 8 -11.978 0.829 0.425 1.00 0.00 C ATOM 108 CG GLN A 8 -13.355 1.156 -0.110 1.00 0.00 C ATOM 109 CD GLN A 8 -13.658 2.644 -0.120 1.00 0.00 C ATOM 110 OE1 GLN A 8 -14.816 3.049 0.005 1.00 0.00 O ATOM 111 NE2 GLN A 8 -12.647 3.462 -0.272 1.00 0.00 N ATOM 0 H GLN A 8 -12.204 -0.863 2.552 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.990 -1.168 -0.378 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.865 1.286 1.408 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.230 1.283 -0.226 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.445 0.767 -1.124 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.103 0.644 0.495 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.702 3.092 -0.373 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.804 4.470 -0.290 1.00 0.00 H new ATOM 120 N TYR A 9 -9.873 -1.765 1.598 1.00 0.00 N ATOM 121 CA TYR A 9 -8.491 -2.008 1.880 1.00 0.00 C ATOM 122 C TYR A 9 -8.117 -3.333 1.265 1.00 0.00 C ATOM 123 O TYR A 9 -8.906 -4.288 1.323 1.00 0.00 O ATOM 124 CB TYR A 9 -8.239 -2.059 3.396 1.00 0.00 C ATOM 125 CG TYR A 9 -8.816 -0.892 4.185 1.00 0.00 C ATOM 126 CD1 TYR A 9 -10.167 -0.850 4.546 1.00 0.00 C ATOM 127 CD2 TYR A 9 -8.018 0.162 4.560 1.00 0.00 C ATOM 128 CE1 TYR A 9 -10.685 0.214 5.253 1.00 0.00 C ATOM 129 CE2 TYR A 9 -8.529 1.226 5.264 1.00 0.00 C ATOM 130 CZ TYR A 9 -9.859 1.249 5.610 1.00 0.00 C ATOM 131 OH TYR A 9 -10.365 2.332 6.305 1.00 0.00 O ATOM 0 H TYR A 9 -10.527 -2.342 2.127 1.00 0.00 H new ATOM 0 HA TYR A 9 -7.888 -1.200 1.465 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -8.659 -2.985 3.788 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.164 -2.098 3.569 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -10.816 -1.666 4.266 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.971 0.154 4.297 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -11.731 0.232 5.523 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.884 2.045 5.546 1.00 0.00 H new ATOM 0 HH TYR A 9 -9.645 2.974 6.479 1.00 0.00 H new ATOM 141 N ILE A 10 -6.964 -3.405 0.667 1.00 0.00 N ATOM 142 CA ILE A 10 -6.510 -4.634 0.067 1.00 0.00 C ATOM 143 C ILE A 10 -5.159 -4.980 0.622 1.00 0.00 C ATOM 144 O ILE A 10 -4.509 -4.152 1.291 1.00 0.00 O ATOM 145 CB ILE A 10 -6.480 -4.675 -1.517 1.00 0.00 C ATOM 146 CG1 ILE A 10 -5.278 -3.923 -2.143 1.00 0.00 C ATOM 147 CG2 ILE A 10 -7.799 -4.200 -2.117 1.00 0.00 C ATOM 148 CD1 ILE A 10 -5.204 -2.464 -1.833 1.00 0.00 C ATOM 0 H ILE A 10 -6.314 -2.624 0.579 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.262 -5.377 0.333 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.342 -5.725 -1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.357 -4.397 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.318 -4.046 -3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -7.740 -4.242 -3.205 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.608 -4.844 -1.772 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.993 -3.174 -1.804 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.328 -2.033 -2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.103 -1.968 -2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.127 -2.325 -0.755 1.00 0.00 H new ATOM 160 N HIS A 11 -4.750 -6.170 0.380 1.00 0.00 N ATOM 161 CA HIS A 11 -3.519 -6.659 0.888 1.00 0.00 C ATOM 162 C HIS A 11 -2.361 -6.124 0.053 1.00 0.00 C ATOM 163 O HIS A 11 -2.203 -6.498 -1.103 1.00 0.00 O ATOM 164 CB HIS A 11 -3.550 -8.196 0.885 1.00 0.00 C ATOM 165 CG HIS A 11 -2.364 -8.866 1.505 1.00 0.00 C ATOM 166 ND1 HIS A 11 -2.148 -8.906 2.860 1.00 0.00 N ATOM 167 CD2 HIS A 11 -1.342 -9.550 0.946 1.00 0.00 C ATOM 168 CE1 HIS A 11 -1.048 -9.587 3.104 1.00 0.00 C ATOM 169 NE2 HIS A 11 -0.538 -9.990 1.964 1.00 0.00 N ATOM 0 H HIS A 11 -5.267 -6.844 -0.185 1.00 0.00 H new ATOM 0 HA HIS A 11 -3.374 -6.316 1.912 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -4.447 -8.525 1.410 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -3.641 -8.538 -0.146 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -1.187 -9.719 -0.109 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -0.633 -9.782 4.082 1.00 0.00 H new ATOM 0 HE2 HIS A 11 0.315 -10.539 1.854 1.00 0.00 H new ATOM 178 N CYS A 12 -1.567 -5.244 0.639 1.00 0.00 N ATOM 179 CA CYS A 12 -0.394 -4.747 -0.010 1.00 0.00 C ATOM 180 C CYS A 12 0.567 -5.878 -0.033 1.00 0.00 C ATOM 181 O CYS A 12 0.692 -6.607 0.943 1.00 0.00 O ATOM 182 CB CYS A 12 0.228 -3.583 0.784 1.00 0.00 C ATOM 183 SG CYS A 12 1.803 -2.936 0.090 1.00 0.00 S ATOM 0 H CYS A 12 -1.727 -4.864 1.572 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.635 -4.377 -1.007 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -0.494 -2.768 0.833 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.406 -3.913 1.807 1.00 0.00 H new ATOM 188 N GLU A 13 1.243 -6.035 -1.102 1.00 0.00 N ATOM 189 CA GLU A 13 2.129 -7.163 -1.247 1.00 0.00 C ATOM 190 C GLU A 13 3.530 -6.672 -1.256 1.00 0.00 C ATOM 191 O GLU A 13 4.484 -7.392 -1.542 1.00 0.00 O ATOM 192 CB GLU A 13 1.772 -7.953 -2.490 1.00 0.00 C ATOM 193 CG GLU A 13 0.343 -8.463 -2.435 1.00 0.00 C ATOM 194 CD GLU A 13 -0.008 -9.347 -3.573 1.00 0.00 C ATOM 195 OE1 GLU A 13 0.252 -10.561 -3.488 1.00 0.00 O ATOM 196 OE2 GLU A 13 -0.557 -8.856 -4.562 1.00 0.00 O ATOM 0 H GLU A 13 1.213 -5.405 -1.904 1.00 0.00 H new ATOM 0 HA GLU A 13 2.021 -7.848 -0.406 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.901 -7.325 -3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.456 -8.795 -2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.194 -9.007 -1.502 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.339 -7.613 -2.421 1.00 0.00 H new ATOM 203 N ASN A 14 3.639 -5.440 -0.884 1.00 0.00 N ATOM 204 CA ASN A 14 4.891 -4.768 -0.811 1.00 0.00 C ATOM 205 C ASN A 14 5.381 -4.767 0.644 1.00 0.00 C ATOM 206 O ASN A 14 6.561 -5.003 0.915 1.00 0.00 O ATOM 207 CB ASN A 14 4.748 -3.362 -1.429 1.00 0.00 C ATOM 208 CG ASN A 14 4.385 -3.420 -2.910 1.00 0.00 C ATOM 209 OD1 ASN A 14 3.208 -3.486 -3.253 1.00 0.00 O ATOM 210 ND2 ASN A 14 5.366 -3.409 -3.785 1.00 0.00 N ATOM 0 H ASN A 14 2.843 -4.861 -0.617 1.00 0.00 H new ATOM 0 HA ASN A 14 5.656 -5.283 -1.392 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.981 -2.806 -0.890 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.683 -2.816 -1.307 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.160 -3.456 -4.783 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.333 -3.353 -3.466 1.00 0.00 H new ATOM 217 N CYS A 15 4.467 -4.531 1.591 1.00 0.00 N ATOM 218 CA CYS A 15 4.802 -4.673 3.026 1.00 0.00 C ATOM 219 C CYS A 15 3.896 -5.710 3.703 1.00 0.00 C ATOM 220 O CYS A 15 4.046 -6.004 4.894 1.00 0.00 O ATOM 221 CB CYS A 15 4.686 -3.343 3.765 1.00 0.00 C ATOM 222 SG CYS A 15 3.037 -2.605 3.674 1.00 0.00 S ATOM 0 H CYS A 15 3.506 -4.246 1.404 1.00 0.00 H new ATOM 0 HA CYS A 15 5.837 -5.011 3.077 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.950 -3.494 4.812 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.412 -2.643 3.351 1.00 0.00 H new ATOM 227 N GLY A 16 2.949 -6.253 2.943 1.00 0.00 N ATOM 228 CA GLY A 16 2.018 -7.235 3.486 1.00 0.00 C ATOM 229 C GLY A 16 0.986 -6.619 4.411 1.00 0.00 C ATOM 230 O GLY A 16 0.515 -7.261 5.349 1.00 0.00 O ATOM 0 H GLY A 16 2.807 -6.032 1.957 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.508 -7.738 2.665 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.577 -7.997 4.029 1.00 0.00 H new ATOM 234 N ARG A 17 0.594 -5.407 4.120 1.00 0.00 N ATOM 235 CA ARG A 17 -0.295 -4.672 5.000 1.00 0.00 C ATOM 236 C ARG A 17 -1.610 -4.327 4.294 1.00 0.00 C ATOM 237 O ARG A 17 -1.628 -4.087 3.098 1.00 0.00 O ATOM 238 CB ARG A 17 0.438 -3.417 5.549 1.00 0.00 C ATOM 239 CG ARG A 17 -0.418 -2.451 6.353 1.00 0.00 C ATOM 240 CD ARG A 17 -0.936 -3.065 7.637 1.00 0.00 C ATOM 241 NE ARG A 17 -2.025 -2.271 8.199 1.00 0.00 N ATOM 242 CZ ARG A 17 -3.027 -2.758 8.944 1.00 0.00 C ATOM 243 NH1 ARG A 17 -3.026 -4.031 9.315 1.00 0.00 N ATOM 244 NH2 ARG A 17 -4.039 -1.973 9.301 1.00 0.00 N ATOM 0 H ARG A 17 0.873 -4.901 3.280 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.564 -5.299 5.850 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.266 -3.748 6.176 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.872 -2.876 4.708 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.167 -1.562 6.589 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.261 -2.125 5.744 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.284 -4.080 7.444 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.125 -3.139 8.361 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.023 -1.269 8.010 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.261 -4.644 9.033 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.791 -4.398 9.882 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.055 -0.996 9.008 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.800 -2.348 9.868 1.00 0.00 H new ATOM 258 N ASP A 18 -2.676 -4.351 5.045 1.00 0.00 N ATOM 259 CA ASP A 18 -4.024 -4.059 4.601 1.00 0.00 C ATOM 260 C ASP A 18 -4.192 -2.562 4.526 1.00 0.00 C ATOM 261 O ASP A 18 -4.263 -1.876 5.552 1.00 0.00 O ATOM 262 CB ASP A 18 -4.960 -4.587 5.646 1.00 0.00 C ATOM 263 CG ASP A 18 -6.409 -4.483 5.301 1.00 0.00 C ATOM 264 OD1 ASP A 18 -6.926 -5.385 4.605 1.00 0.00 O ATOM 265 OD2 ASP A 18 -7.071 -3.551 5.770 1.00 0.00 O ATOM 0 H ASP A 18 -2.633 -4.586 6.037 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.223 -4.507 3.627 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.720 -5.634 5.833 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.783 -4.048 6.577 1.00 0.00 H new ATOM 270 N VAL A 19 -4.164 -2.056 3.345 1.00 0.00 N ATOM 271 CA VAL A 19 -4.224 -0.615 3.126 1.00 0.00 C ATOM 272 C VAL A 19 -5.255 -0.280 2.049 1.00 0.00 C ATOM 273 O VAL A 19 -5.505 -1.096 1.160 1.00 0.00 O ATOM 274 CB VAL A 19 -2.819 -0.073 2.712 1.00 0.00 C ATOM 275 CG1 VAL A 19 -2.797 1.451 2.617 1.00 0.00 C ATOM 276 CG2 VAL A 19 -1.768 -0.558 3.686 1.00 0.00 C ATOM 0 H VAL A 19 -4.099 -2.609 2.490 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.526 -0.136 4.057 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.595 -0.461 1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.800 1.783 2.326 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.521 1.780 1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.054 1.880 3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.792 -0.175 3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.008 -0.201 4.688 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.746 -1.648 3.684 1.00 0.00 H new ATOM 286 N SER A 20 -5.860 0.900 2.164 1.00 0.00 N ATOM 287 CA SER A 20 -6.852 1.415 1.238 1.00 0.00 C ATOM 288 C SER A 20 -6.358 1.330 -0.213 1.00 0.00 C ATOM 289 O SER A 20 -5.303 1.875 -0.544 1.00 0.00 O ATOM 290 CB SER A 20 -7.102 2.875 1.591 1.00 0.00 C ATOM 291 OG SER A 20 -7.295 3.028 2.987 1.00 0.00 O ATOM 0 H SER A 20 -5.663 1.542 2.932 1.00 0.00 H new ATOM 0 HA SER A 20 -7.762 0.821 1.320 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.257 3.482 1.267 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.979 3.238 1.056 1.00 0.00 H new ATOM 0 HG SER A 20 -7.635 2.190 3.364 1.00 0.00 H new ATOM 297 N ALA A 21 -7.140 0.676 -1.063 1.00 0.00 N ATOM 298 CA ALA A 21 -6.815 0.491 -2.480 1.00 0.00 C ATOM 299 C ALA A 21 -6.693 1.818 -3.176 1.00 0.00 C ATOM 300 O ALA A 21 -5.813 2.030 -4.000 1.00 0.00 O ATOM 301 CB ALA A 21 -7.884 -0.352 -3.163 1.00 0.00 C ATOM 0 H ALA A 21 -8.027 0.253 -0.790 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.858 -0.026 -2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.629 -0.481 -4.215 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.940 -1.328 -2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.849 0.149 -3.082 1.00 0.00 H new ATOM 307 N ASN A 22 -7.549 2.722 -2.787 1.00 0.00 N ATOM 308 CA ASN A 22 -7.591 4.070 -3.361 1.00 0.00 C ATOM 309 C ASN A 22 -6.338 4.860 -3.011 1.00 0.00 C ATOM 310 O ASN A 22 -5.934 5.753 -3.737 1.00 0.00 O ATOM 311 CB ASN A 22 -8.851 4.821 -2.867 1.00 0.00 C ATOM 312 CG ASN A 22 -8.961 6.264 -3.351 1.00 0.00 C ATOM 313 OD1 ASN A 22 -9.511 6.532 -4.422 1.00 0.00 O ATOM 314 ND2 ASN A 22 -8.510 7.193 -2.556 1.00 0.00 N ATOM 0 H ASN A 22 -8.247 2.560 -2.061 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.635 3.972 -4.446 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.735 4.274 -3.193 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.857 4.816 -1.777 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.607 8.175 -2.813 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.060 6.938 -1.677 1.00 0.00 H new ATOM 321 N ARG A 23 -5.697 4.498 -1.932 1.00 0.00 N ATOM 322 CA ARG A 23 -4.587 5.249 -1.440 1.00 0.00 C ATOM 323 C ARG A 23 -3.301 4.432 -1.577 1.00 0.00 C ATOM 324 O ARG A 23 -2.234 4.860 -1.133 1.00 0.00 O ATOM 325 CB ARG A 23 -4.864 5.537 0.028 1.00 0.00 C ATOM 326 CG ARG A 23 -4.364 6.861 0.532 1.00 0.00 C ATOM 327 CD ARG A 23 -5.040 8.005 -0.209 1.00 0.00 C ATOM 328 NE ARG A 23 -4.817 9.305 0.425 1.00 0.00 N ATOM 329 CZ ARG A 23 -4.783 10.477 -0.227 1.00 0.00 C ATOM 330 NH1 ARG A 23 -4.797 10.510 -1.554 1.00 0.00 N ATOM 331 NH2 ARG A 23 -4.721 11.611 0.450 1.00 0.00 N ATOM 0 H ARG A 23 -5.933 3.676 -1.375 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.461 6.174 -2.003 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.940 5.488 0.193 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.413 4.746 0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.559 6.947 1.601 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.284 6.922 0.400 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.669 8.038 -1.233 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.111 7.812 -0.264 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.677 9.321 1.435 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.834 9.640 -2.085 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.771 11.405 -2.042 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.699 11.596 1.470 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.695 12.501 -0.047 1.00 0.00 H new ATOM 345 N LEU A 24 -3.403 3.278 -2.236 1.00 0.00 N ATOM 346 CA LEU A 24 -2.303 2.321 -2.300 1.00 0.00 C ATOM 347 C LEU A 24 -1.113 2.903 -3.056 1.00 0.00 C ATOM 348 O LEU A 24 0.004 2.657 -2.698 1.00 0.00 O ATOM 349 CB LEU A 24 -2.765 0.987 -2.917 1.00 0.00 C ATOM 350 CG LEU A 24 -2.107 -0.325 -2.384 1.00 0.00 C ATOM 351 CD1 LEU A 24 -0.611 -0.407 -2.646 1.00 0.00 C ATOM 352 CD2 LEU A 24 -2.392 -0.521 -0.906 1.00 0.00 C ATOM 0 H LEU A 24 -4.242 2.984 -2.735 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.976 2.116 -1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.842 0.905 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.592 1.037 -3.992 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.568 -1.134 -2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.223 -1.345 -2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.427 -0.364 -3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.110 0.429 -2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.921 -1.443 -0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.991 0.322 -0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.469 -0.584 -0.748 1.00 0.00 H new ATOM 364 N ALA A 25 -1.378 3.678 -4.080 1.00 0.00 N ATOM 365 CA ALA A 25 -0.320 4.364 -4.848 1.00 0.00 C ATOM 366 C ALA A 25 0.569 5.245 -3.941 1.00 0.00 C ATOM 367 O ALA A 25 1.801 5.063 -3.890 1.00 0.00 O ATOM 368 CB ALA A 25 -0.931 5.198 -5.955 1.00 0.00 C ATOM 0 H ALA A 25 -2.323 3.862 -4.418 1.00 0.00 H new ATOM 0 HA ALA A 25 0.317 3.597 -5.288 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.139 5.698 -6.513 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.497 4.553 -6.627 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.597 5.944 -5.523 1.00 0.00 H new ATOM 374 N ALA A 26 -0.061 6.155 -3.182 1.00 0.00 N ATOM 375 CA ALA A 26 0.661 7.040 -2.253 1.00 0.00 C ATOM 376 C ALA A 26 1.314 6.200 -1.176 1.00 0.00 C ATOM 377 O ALA A 26 2.455 6.468 -0.721 1.00 0.00 O ATOM 378 CB ALA A 26 -0.289 8.051 -1.628 1.00 0.00 C ATOM 0 H ALA A 26 -1.071 6.298 -3.193 1.00 0.00 H new ATOM 0 HA ALA A 26 1.425 7.590 -2.802 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.264 8.696 -0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.742 8.657 -2.412 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.070 7.525 -1.079 1.00 0.00 H new ATOM 384 N HIS A 27 0.605 5.160 -0.791 1.00 0.00 N ATOM 385 CA HIS A 27 1.111 4.203 0.137 1.00 0.00 C ATOM 386 C HIS A 27 2.370 3.563 -0.416 1.00 0.00 C ATOM 387 O HIS A 27 3.315 3.439 0.280 1.00 0.00 O ATOM 388 CB HIS A 27 0.067 3.117 0.468 1.00 0.00 C ATOM 389 CG HIS A 27 0.649 1.980 1.244 1.00 0.00 C ATOM 390 ND1 HIS A 27 1.001 2.064 2.562 1.00 0.00 N ATOM 391 CD2 HIS A 27 1.096 0.804 0.809 1.00 0.00 C ATOM 392 CE1 HIS A 27 1.654 0.984 2.906 1.00 0.00 C ATOM 393 NE2 HIS A 27 1.740 0.197 1.837 1.00 0.00 N ATOM 0 H HIS A 27 -0.340 4.965 -1.121 1.00 0.00 H new ATOM 0 HA HIS A 27 1.344 4.729 1.063 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -0.748 3.563 1.039 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -0.364 2.737 -0.459 1.00 0.00 H new ATOM 0 HD1 HIS A 27 0.788 2.846 3.181 1.00 0.00 H new ATOM 0 HD2 HIS A 27 0.969 0.404 -0.186 1.00 0.00 H new ATOM 0 HE1 HIS A 27 2.053 0.769 3.886 1.00 0.00 H new ATOM 401 N LEU A 28 2.345 3.166 -1.668 1.00 0.00 N ATOM 402 CA LEU A 28 3.474 2.520 -2.311 1.00 0.00 C ATOM 403 C LEU A 28 4.645 3.449 -2.389 1.00 0.00 C ATOM 404 O LEU A 28 5.782 3.014 -2.322 1.00 0.00 O ATOM 405 CB LEU A 28 3.099 1.989 -3.687 1.00 0.00 C ATOM 406 CG LEU A 28 3.305 0.484 -3.918 1.00 0.00 C ATOM 407 CD1 LEU A 28 4.777 0.188 -4.094 1.00 0.00 C ATOM 408 CD2 LEU A 28 2.751 -0.324 -2.742 1.00 0.00 C ATOM 0 H LEU A 28 1.535 3.282 -2.277 1.00 0.00 H new ATOM 0 HA LEU A 28 3.763 1.665 -1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.050 2.222 -3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.680 2.532 -4.433 1.00 0.00 H new ATOM 0 HG LEU A 28 2.767 0.196 -4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.916 -0.881 -4.257 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.159 0.739 -4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.319 0.492 -3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.907 -1.387 -2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.267 -0.034 -1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.684 -0.127 -2.635 1.00 0.00 H new ATOM 420 N GLN A 29 4.370 4.727 -2.500 1.00 0.00 N ATOM 421 CA GLN A 29 5.429 5.709 -2.448 1.00 0.00 C ATOM 422 C GLN A 29 6.094 5.632 -1.066 1.00 0.00 C ATOM 423 O GLN A 29 7.298 5.474 -0.951 1.00 0.00 O ATOM 424 CB GLN A 29 4.894 7.116 -2.723 1.00 0.00 C ATOM 425 CG GLN A 29 4.156 7.264 -4.053 1.00 0.00 C ATOM 426 CD GLN A 29 4.986 6.818 -5.243 1.00 0.00 C ATOM 427 OE1 GLN A 29 5.729 7.603 -5.827 1.00 0.00 O ATOM 428 NE2 GLN A 29 4.832 5.584 -5.641 1.00 0.00 N ATOM 0 H GLN A 29 3.433 5.109 -2.626 1.00 0.00 H new ATOM 0 HA GLN A 29 6.165 5.494 -3.223 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.220 7.399 -1.914 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.727 7.818 -2.704 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.236 6.680 -4.019 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.867 8.306 -4.188 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.207 4.958 -5.133 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.337 5.246 -6.460 1.00 0.00 H new ATOM 437 N ARG A 30 5.272 5.633 -0.028 1.00 0.00 N ATOM 438 CA ARG A 30 5.740 5.524 1.357 1.00 0.00 C ATOM 439 C ARG A 30 6.304 4.138 1.649 1.00 0.00 C ATOM 440 O ARG A 30 7.169 3.988 2.473 1.00 0.00 O ATOM 441 CB ARG A 30 4.590 5.830 2.325 1.00 0.00 C ATOM 442 CG ARG A 30 4.457 7.289 2.741 1.00 0.00 C ATOM 443 CD ARG A 30 4.317 8.245 1.567 1.00 0.00 C ATOM 444 NE ARG A 30 4.123 9.609 2.047 1.00 0.00 N ATOM 445 CZ ARG A 30 4.710 10.714 1.556 1.00 0.00 C ATOM 446 NH1 ARG A 30 5.514 10.649 0.490 1.00 0.00 N ATOM 447 NH2 ARG A 30 4.477 11.891 2.131 1.00 0.00 N ATOM 0 H ARG A 30 4.259 5.709 -0.116 1.00 0.00 H new ATOM 0 HA ARG A 30 6.540 6.251 1.497 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.655 5.515 1.862 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.722 5.225 3.222 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.589 7.395 3.391 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.331 7.572 3.328 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.208 8.196 0.940 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.473 7.947 0.945 1.00 0.00 H new ATOM 0 HE ARG A 30 3.481 9.736 2.829 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.689 9.752 0.037 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.952 11.497 0.129 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.857 11.950 2.939 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.919 12.734 1.764 1.00 0.00 H new ATOM 461 N CYS A 31 5.783 3.159 0.981 1.00 0.00 N ATOM 462 CA CYS A 31 6.166 1.777 1.158 1.00 0.00 C ATOM 463 C CYS A 31 7.546 1.506 0.518 1.00 0.00 C ATOM 464 O CYS A 31 8.449 0.964 1.157 1.00 0.00 O ATOM 465 CB CYS A 31 5.074 0.878 0.508 1.00 0.00 C ATOM 466 SG CYS A 31 5.052 -0.912 0.946 1.00 0.00 S ATOM 0 H CYS A 31 5.059 3.293 0.276 1.00 0.00 H new ATOM 0 HA CYS A 31 6.248 1.550 2.221 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.101 1.296 0.765 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.179 0.956 -0.574 1.00 0.00 H new ATOM 471 N LEU A 32 7.710 1.934 -0.728 1.00 0.00 N ATOM 472 CA LEU A 32 8.891 1.608 -1.518 1.00 0.00 C ATOM 473 C LEU A 32 9.957 2.701 -1.601 1.00 0.00 C ATOM 474 O LEU A 32 11.035 2.457 -2.131 1.00 0.00 O ATOM 475 CB LEU A 32 8.490 1.114 -2.925 1.00 0.00 C ATOM 476 CG LEU A 32 8.439 -0.415 -3.132 1.00 0.00 C ATOM 477 CD1 LEU A 32 9.834 -1.014 -3.037 1.00 0.00 C ATOM 478 CD2 LEU A 32 7.524 -1.082 -2.122 1.00 0.00 C ATOM 0 H LEU A 32 7.030 2.515 -1.218 1.00 0.00 H new ATOM 0 HA LEU A 32 9.376 0.803 -0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.508 1.523 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.192 1.532 -3.646 1.00 0.00 H new ATOM 0 HG LEU A 32 8.038 -0.597 -4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.778 -2.092 -3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.472 -0.575 -3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.254 -0.805 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.512 -2.158 -2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.888 -0.882 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.514 -0.686 -2.228 1.00 0.00 H new ATOM 490 N SER A 33 9.698 3.890 -1.102 1.00 0.00 N ATOM 491 CA SER A 33 10.739 4.920 -1.130 1.00 0.00 C ATOM 492 C SER A 33 11.680 4.759 0.081 1.00 0.00 C ATOM 493 O SER A 33 12.636 5.530 0.272 1.00 0.00 O ATOM 494 CB SER A 33 10.115 6.333 -1.182 1.00 0.00 C ATOM 495 OG SER A 33 11.093 7.354 -1.347 1.00 0.00 O ATOM 0 H SER A 33 8.811 4.172 -0.684 1.00 0.00 H new ATOM 0 HA SER A 33 11.332 4.795 -2.036 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.401 6.382 -2.004 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.556 6.514 -0.264 1.00 0.00 H new ATOM 0 HG SER A 33 11.924 7.086 -0.903 1.00 0.00 H new ATOM 501 N ARG A 34 11.416 3.759 0.878 1.00 0.00 N ATOM 502 CA ARG A 34 12.204 3.486 2.052 1.00 0.00 C ATOM 503 C ARG A 34 13.043 2.265 1.789 1.00 0.00 C ATOM 504 O ARG A 34 12.892 1.604 0.746 1.00 0.00 O ATOM 505 CB ARG A 34 11.301 3.142 3.219 1.00 0.00 C ATOM 506 CG ARG A 34 10.190 4.105 3.491 1.00 0.00 C ATOM 507 CD ARG A 34 9.328 3.621 4.642 1.00 0.00 C ATOM 508 NE ARG A 34 8.841 2.232 4.461 1.00 0.00 N ATOM 509 CZ ARG A 34 7.819 1.676 5.125 1.00 0.00 C ATOM 510 NH1 ARG A 34 7.055 2.414 5.940 1.00 0.00 N ATOM 511 NH2 ARG A 34 7.540 0.389 4.943 1.00 0.00 N ATOM 0 H ARG A 34 10.645 3.107 0.732 1.00 0.00 H new ATOM 0 HA ARG A 34 12.809 4.364 2.279 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.867 2.158 3.040 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.914 3.062 4.117 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.602 5.086 3.727 1.00 0.00 H new ATOM 0 HG3 ARG A 34 9.578 4.223 2.597 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.901 3.681 5.567 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.473 4.288 4.753 1.00 0.00 H new ATOM 0 HE ARG A 34 9.324 1.652 3.775 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.249 3.408 6.059 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.279 1.982 6.441 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.103 -0.169 4.301 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.763 -0.040 5.446 1.00 0.00 H new ATOM 525 N GLY A 35 13.907 1.965 2.714 1.00 0.00 N ATOM 526 CA GLY A 35 14.633 0.732 2.676 1.00 0.00 C ATOM 527 C GLY A 35 13.942 -0.262 3.575 1.00 0.00 C ATOM 528 O GLY A 35 13.910 -1.471 3.310 1.00 0.00 O ATOM 0 H GLY A 35 14.126 2.564 3.510 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.678 0.351 1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 35 15.661 0.888 3.004 1.00 0.00 H new ATOM 532 N ALA A 36 13.365 0.274 4.626 1.00 0.00 N ATOM 533 CA ALA A 36 12.614 -0.449 5.618 1.00 0.00 C ATOM 534 C ALA A 36 11.727 0.567 6.302 1.00 0.00 C ATOM 535 O ALA A 36 11.801 1.752 5.960 1.00 0.00 O ATOM 536 CB ALA A 36 13.555 -1.104 6.630 1.00 0.00 C ATOM 0 H ALA A 36 13.411 1.275 4.819 1.00 0.00 H new ATOM 0 HA ALA A 36 12.025 -1.246 5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.970 -1.646 7.373 1.00 0.00 H new ATOM 0 HB2 ALA A 36 14.219 -1.798 6.114 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.148 -0.335 7.126 1.00 0.00 H new ATOM 542 N ARG A 37 10.902 0.138 7.235 1.00 0.00 N ATOM 543 CA ARG A 37 10.039 1.055 7.972 1.00 0.00 C ATOM 544 C ARG A 37 10.877 2.102 8.715 1.00 0.00 C ATOM 545 O ARG A 37 11.981 1.807 9.194 1.00 0.00 O ATOM 546 CB ARG A 37 9.114 0.300 8.941 1.00 0.00 C ATOM 547 CG ARG A 37 9.838 -0.539 9.988 1.00 0.00 C ATOM 548 CD ARG A 37 8.859 -1.216 10.933 1.00 0.00 C ATOM 549 NE ARG A 37 7.968 -2.164 10.248 1.00 0.00 N ATOM 550 CZ ARG A 37 6.641 -2.272 10.453 1.00 0.00 C ATOM 551 NH1 ARG A 37 5.992 -1.390 11.219 1.00 0.00 N ATOM 552 NH2 ARG A 37 5.965 -3.244 9.863 1.00 0.00 N ATOM 0 H ARG A 37 10.807 -0.841 7.506 1.00 0.00 H new ATOM 0 HA ARG A 37 9.405 1.571 7.251 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.477 1.022 9.451 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.458 -0.351 8.363 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.448 -1.294 9.492 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.517 0.095 10.558 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.415 -1.743 11.709 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.258 -0.456 11.432 1.00 0.00 H new ATOM 0 HE ARG A 37 8.389 -2.791 9.562 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.502 -0.623 11.657 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.987 -1.484 11.366 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.449 -3.907 9.257 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.960 -3.331 10.014 1.00 0.00 H new ATOM 566 N ARG A 38 10.379 3.307 8.783 1.00 0.00 N ATOM 567 CA ARG A 38 11.106 4.385 9.413 1.00 0.00 C ATOM 568 C ARG A 38 10.294 4.891 10.571 1.00 0.00 C ATOM 569 O ARG A 38 10.617 4.563 11.721 1.00 0.00 O ATOM 570 CB ARG A 38 11.396 5.529 8.430 1.00 0.00 C ATOM 571 CG ARG A 38 12.104 5.099 7.156 1.00 0.00 C ATOM 572 CD ARG A 38 12.574 6.292 6.342 1.00 0.00 C ATOM 573 NE ARG A 38 11.499 7.251 6.020 1.00 0.00 N ATOM 574 CZ ARG A 38 11.714 8.550 5.752 1.00 0.00 C ATOM 575 NH1 ARG A 38 12.958 9.025 5.728 1.00 0.00 N ATOM 576 NH2 ARG A 38 10.693 9.364 5.504 1.00 0.00 N ATOM 577 OXT ARG A 38 9.256 5.534 10.337 1.00 0.00 O ATOM 0 H ARG A 38 9.468 3.572 8.409 1.00 0.00 H new ATOM 0 HA ARG A 38 12.069 4.007 9.757 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.455 6.010 8.163 1.00 0.00 H new ATOM 0 HB3 ARG A 38 12.005 6.279 8.934 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.959 4.472 7.409 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.430 4.490 6.553 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.358 6.811 6.893 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.020 5.934 5.414 1.00 0.00 H new ATOM 0 HE ARG A 38 10.539 6.908 6.000 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.745 8.403 5.913 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.124 10.011 5.525 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.739 9.004 5.516 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.864 10.349 5.301 1.00 0.00 H new TER 591 ARG A 38 HETATM 592 ZN ZN A 101 2.867 -1.522 1.643 1.00 0.00 ZN