USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 279 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 4 ASN : amide:sc= 0.011 K(o=0.011,f=-4.2!) USER MOD Single : A 6 LYS NZ :NH3+ -171:sc=-0.00292 (180deg=-0.0896) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.73) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -4.52! C(o=-4.5!,f=-10!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -178:sc= 1 (180deg=1) USER MOD Single : A 19 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.038) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 177:sc=0.000443 (180deg=-0.00794) USER MOD Single : A 29 ASN : amide:sc= -0.0848 X(o=-0.085,f=-0.0083) USER MOD Single : A 31 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.032) USER MOD Single : A 35 THR OG1 : rot 180:sc=0.000693 USER MOD Single : A 37 LYS NZ :NH3+ 172:sc=-0.00149 (180deg=-0.074) USER MOD ----------------------------------------------------------------- ATOM 19 N GLY A 2 -1.183 -5.697 -4.436 1.00 0.00 N ATOM 20 CA GLY A 2 0.172 -5.394 -4.883 1.00 0.00 C ATOM 21 C GLY A 2 0.272 -4.138 -5.736 1.00 0.00 C ATOM 22 O GLY A 2 0.152 -4.202 -6.960 1.00 0.00 O ATOM 0 HA2 GLY A 2 0.816 -5.281 -4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.554 -6.241 -5.454 1.00 0.00 H new ATOM 26 N ILE A 3 0.515 -2.997 -5.102 1.00 0.00 N ATOM 27 CA ILE A 3 0.640 -1.746 -5.829 1.00 0.00 C ATOM 28 C ILE A 3 2.074 -1.567 -6.314 1.00 0.00 C ATOM 29 O ILE A 3 2.959 -2.366 -5.993 1.00 0.00 O ATOM 30 CB ILE A 3 0.219 -0.528 -4.972 1.00 0.00 C ATOM 31 CG1 ILE A 3 1.094 -0.409 -3.721 1.00 0.00 C ATOM 32 CG2 ILE A 3 -1.252 -0.635 -4.586 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.765 0.786 -2.849 1.00 0.00 C ATOM 0 H ILE A 3 0.628 -2.915 -4.092 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.036 -1.796 -6.683 1.00 0.00 H new ATOM 0 HB ILE A 3 0.359 0.373 -5.569 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.988 -1.318 -3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.139 -0.347 -4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.534 0.229 -3.983 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.864 -0.663 -5.488 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.412 -1.547 -4.010 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.428 0.799 -1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.899 1.703 -3.423 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.269 0.717 -2.512 1.00 0.00 H new ATOM 45 N ASN A 4 2.297 -0.513 -7.079 1.00 0.00 N ATOM 46 CA ASN A 4 3.594 -0.260 -7.709 1.00 0.00 C ATOM 47 C ASN A 4 4.517 0.513 -6.770 1.00 0.00 C ATOM 48 O ASN A 4 5.203 1.458 -7.176 1.00 0.00 O ATOM 49 CB ASN A 4 3.406 0.513 -9.024 1.00 0.00 C ATOM 50 CG ASN A 4 2.831 1.908 -8.822 1.00 0.00 C ATOM 51 OD1 ASN A 4 2.094 2.168 -7.867 1.00 0.00 O ATOM 52 ND2 ASN A 4 3.160 2.816 -9.725 1.00 0.00 N ATOM 0 H ASN A 4 1.591 0.194 -7.285 1.00 0.00 H new ATOM 0 HA ASN A 4 4.058 -1.222 -7.927 1.00 0.00 H new ATOM 0 HB2 ASN A 4 4.367 0.593 -9.532 1.00 0.00 H new ATOM 0 HB3 ASN A 4 2.745 -0.054 -9.680 1.00 0.00 H new ATOM 0 HD21 ASN A 4 2.802 3.768 -9.645 1.00 0.00 H new ATOM 0 HD22 ASN A 4 3.772 2.565 -10.501 1.00 0.00 H new ATOM 59 N VAL A 5 4.540 0.099 -5.514 1.00 0.00 N ATOM 60 CA VAL A 5 5.299 0.795 -4.490 1.00 0.00 C ATOM 61 C VAL A 5 6.137 -0.187 -3.688 1.00 0.00 C ATOM 62 O VAL A 5 5.767 -1.351 -3.526 1.00 0.00 O ATOM 63 CB VAL A 5 4.364 1.583 -3.547 1.00 0.00 C ATOM 64 CG1 VAL A 5 5.126 2.292 -2.436 1.00 0.00 C ATOM 65 CG2 VAL A 5 3.561 2.591 -4.334 1.00 0.00 C ATOM 0 H VAL A 5 4.037 -0.722 -5.178 1.00 0.00 H new ATOM 0 HA VAL A 5 5.962 1.502 -4.988 1.00 0.00 H new ATOM 0 HB VAL A 5 3.697 0.859 -3.080 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.424 2.832 -1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.666 1.557 -1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.835 2.996 -2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.905 3.141 -3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.237 3.287 -4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.960 2.074 -5.082 1.00 0.00 H new ATOM 75 N LYS A 6 7.264 0.294 -3.198 1.00 0.00 N ATOM 76 CA LYS A 6 8.198 -0.530 -2.444 1.00 0.00 C ATOM 77 C LYS A 6 8.018 -0.298 -0.951 1.00 0.00 C ATOM 78 O LYS A 6 7.849 0.840 -0.510 1.00 0.00 O ATOM 79 CB LYS A 6 9.641 -0.209 -2.845 1.00 0.00 C ATOM 80 CG LYS A 6 9.972 -0.545 -4.290 1.00 0.00 C ATOM 81 CD LYS A 6 11.404 -0.162 -4.629 1.00 0.00 C ATOM 82 CE LYS A 6 11.759 -0.499 -6.070 1.00 0.00 C ATOM 83 NZ LYS A 6 11.754 -1.965 -6.319 1.00 0.00 N ATOM 0 H LYS A 6 7.560 1.264 -3.309 1.00 0.00 H new ATOM 0 HA LYS A 6 7.993 -1.576 -2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.826 0.852 -2.678 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.319 -0.757 -2.191 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.828 -1.612 -4.460 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.285 -0.021 -4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.543 0.906 -4.462 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.087 -0.681 -3.957 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.049 -0.015 -6.741 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.744 -0.095 -6.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.146 -2.158 -7.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.334 -2.441 -5.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.778 -2.322 -6.270 1.00 0.00 H new ATOM 97 N CYS A 7 8.057 -1.376 -0.178 1.00 0.00 N ATOM 98 CA CYS A 7 7.911 -1.281 1.268 1.00 0.00 C ATOM 99 C CYS A 7 9.137 -0.626 1.903 1.00 0.00 C ATOM 100 O CYS A 7 10.096 -1.304 2.276 1.00 0.00 O ATOM 101 CB CYS A 7 7.687 -2.664 1.892 1.00 0.00 C ATOM 102 SG CYS A 7 7.956 -2.716 3.701 1.00 0.00 S ATOM 0 H CYS A 7 8.188 -2.325 -0.528 1.00 0.00 H new ATOM 0 HA CYS A 7 7.038 -0.659 1.465 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.669 -2.988 1.677 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.357 -3.380 1.415 1.00 0.00 H new ATOM 107 N LYS A 8 9.139 0.696 1.961 1.00 0.00 N ATOM 108 CA LYS A 8 10.107 1.406 2.768 1.00 0.00 C ATOM 109 C LYS A 8 9.517 1.640 4.153 1.00 0.00 C ATOM 110 O LYS A 8 10.195 1.495 5.167 1.00 0.00 O ATOM 111 CB LYS A 8 10.504 2.728 2.105 1.00 0.00 C ATOM 112 CG LYS A 8 11.253 2.546 0.792 1.00 0.00 C ATOM 113 CD LYS A 8 11.691 3.876 0.195 1.00 0.00 C ATOM 114 CE LYS A 8 10.508 4.688 -0.308 1.00 0.00 C ATOM 115 NZ LYS A 8 10.925 6.020 -0.819 1.00 0.00 N ATOM 0 H LYS A 8 8.482 1.294 1.459 1.00 0.00 H new ATOM 0 HA LYS A 8 11.013 0.808 2.861 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.606 3.319 1.923 1.00 0.00 H new ATOM 0 HB3 LYS A 8 11.127 3.299 2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.128 1.918 0.958 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.615 2.022 0.080 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.233 4.451 0.946 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.383 3.695 -0.627 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.001 4.138 -1.101 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.788 4.819 0.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.089 6.541 -1.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.386 6.556 -0.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.592 5.896 -1.607 1.00 0.00 H new ATOM 129 N HIS A 9 8.233 1.997 4.171 1.00 0.00 N ATOM 130 CA HIS A 9 7.490 2.239 5.408 1.00 0.00 C ATOM 131 C HIS A 9 6.038 1.853 5.169 1.00 0.00 C ATOM 132 O HIS A 9 5.462 2.221 4.149 1.00 0.00 O ATOM 133 CB HIS A 9 7.559 3.724 5.815 1.00 0.00 C ATOM 134 CG HIS A 9 8.939 4.304 5.794 1.00 0.00 C ATOM 135 ND1 HIS A 9 9.511 4.824 4.653 1.00 0.00 N ATOM 136 CD2 HIS A 9 9.879 4.406 6.763 1.00 0.00 C ATOM 137 CE1 HIS A 9 10.742 5.209 4.916 1.00 0.00 C ATOM 138 NE2 HIS A 9 10.991 4.973 6.190 1.00 0.00 N ATOM 0 H HIS A 9 7.677 2.127 3.326 1.00 0.00 H new ATOM 0 HA HIS A 9 7.927 1.647 6.212 1.00 0.00 H new ATOM 0 HB2 HIS A 9 6.924 4.303 5.144 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.146 3.834 6.818 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.774 4.099 7.793 1.00 0.00 H new ATOM 0 HE1 HIS A 9 11.432 5.645 4.208 1.00 0.00 H new ATOM 0 HE2 HIS A 9 11.867 5.178 6.671 1.00 0.00 H new ATOM 147 N SER A 10 5.449 1.116 6.101 1.00 0.00 N ATOM 148 CA SER A 10 4.082 0.631 5.943 1.00 0.00 C ATOM 149 C SER A 10 3.085 1.788 5.955 1.00 0.00 C ATOM 150 O SER A 10 2.093 1.770 5.231 1.00 0.00 O ATOM 151 CB SER A 10 3.744 -0.379 7.040 1.00 0.00 C ATOM 152 OG SER A 10 3.970 0.171 8.328 1.00 0.00 O ATOM 0 H SER A 10 5.896 0.840 6.975 1.00 0.00 H new ATOM 0 HA SER A 10 4.009 0.133 4.976 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.701 -0.684 6.949 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.351 -1.276 6.913 1.00 0.00 H new ATOM 0 HG SER A 10 3.745 -0.494 9.012 1.00 0.00 H new ATOM 158 N GLY A 11 3.362 2.798 6.773 1.00 0.00 N ATOM 159 CA GLY A 11 2.521 3.981 6.800 1.00 0.00 C ATOM 160 C GLY A 11 2.677 4.802 5.536 1.00 0.00 C ATOM 161 O GLY A 11 1.820 5.621 5.197 1.00 0.00 O ATOM 0 H GLY A 11 4.153 2.819 7.417 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.478 3.685 6.917 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.778 4.592 7.666 1.00 0.00 H new ATOM 165 N GLN A 12 3.777 4.566 4.836 1.00 0.00 N ATOM 166 CA GLN A 12 4.061 5.235 3.577 1.00 0.00 C ATOM 167 C GLN A 12 3.335 4.537 2.440 1.00 0.00 C ATOM 168 O GLN A 12 3.053 5.139 1.409 1.00 0.00 O ATOM 169 CB GLN A 12 5.566 5.241 3.322 1.00 0.00 C ATOM 170 CG GLN A 12 5.967 5.724 1.943 1.00 0.00 C ATOM 171 CD GLN A 12 7.466 5.712 1.752 1.00 0.00 C ATOM 172 OE1 GLN A 12 8.046 4.692 1.394 1.00 0.00 O ATOM 173 NE2 GLN A 12 8.099 6.848 1.978 1.00 0.00 N ATOM 0 H GLN A 12 4.498 3.905 5.126 1.00 0.00 H new ATOM 0 HA GLN A 12 3.709 6.265 3.633 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.046 5.874 4.069 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.950 4.231 3.466 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.500 5.092 1.188 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.590 6.735 1.789 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.577 7.673 2.275 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.110 6.901 1.856 1.00 0.00 H new ATOM 182 N CYS A 13 3.009 3.270 2.650 1.00 0.00 N ATOM 183 CA CYS A 13 2.299 2.485 1.651 1.00 0.00 C ATOM 184 C CYS A 13 0.873 2.996 1.521 1.00 0.00 C ATOM 185 O CYS A 13 0.199 2.762 0.520 1.00 0.00 O ATOM 186 CB CYS A 13 2.296 1.002 2.037 1.00 0.00 C ATOM 187 SG CYS A 13 3.954 0.242 2.159 1.00 0.00 S ATOM 0 H CYS A 13 3.226 2.762 3.507 1.00 0.00 H new ATOM 0 HA CYS A 13 2.807 2.589 0.692 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.789 0.891 2.995 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.711 0.450 1.301 1.00 0.00 H new ATOM 192 N LEU A 14 0.440 3.722 2.542 1.00 0.00 N ATOM 193 CA LEU A 14 -0.899 4.282 2.596 1.00 0.00 C ATOM 194 C LEU A 14 -1.017 5.490 1.679 1.00 0.00 C ATOM 195 O LEU A 14 -2.048 5.703 1.037 1.00 0.00 O ATOM 196 CB LEU A 14 -1.204 4.707 4.029 1.00 0.00 C ATOM 197 CG LEU A 14 -2.583 4.316 4.546 1.00 0.00 C ATOM 198 CD1 LEU A 14 -2.782 2.817 4.422 1.00 0.00 C ATOM 199 CD2 LEU A 14 -2.750 4.760 5.990 1.00 0.00 C ATOM 0 H LEU A 14 1.011 3.939 3.359 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.610 3.524 2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.451 4.273 4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.102 5.790 4.099 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.340 4.817 3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.771 2.549 4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.697 2.524 3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.022 2.299 5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.740 4.474 6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.990 4.282 6.608 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.640 5.843 6.053 1.00 0.00 H new ATOM 211 N LYS A 15 0.061 6.262 1.617 1.00 0.00 N ATOM 212 CA LYS A 15 0.076 7.522 0.878 1.00 0.00 C ATOM 213 C LYS A 15 -0.370 7.334 -0.584 1.00 0.00 C ATOM 214 O LYS A 15 -1.296 8.012 -1.027 1.00 0.00 O ATOM 215 CB LYS A 15 1.461 8.185 0.955 1.00 0.00 C ATOM 216 CG LYS A 15 2.047 8.238 2.361 1.00 0.00 C ATOM 217 CD LYS A 15 1.217 9.095 3.306 1.00 0.00 C ATOM 218 CE LYS A 15 1.279 10.568 2.936 1.00 0.00 C ATOM 219 NZ LYS A 15 0.514 11.411 3.891 1.00 0.00 N ATOM 0 H LYS A 15 0.945 6.036 2.074 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.646 8.187 1.351 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.149 7.642 0.306 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.389 9.200 0.564 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.117 7.226 2.760 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.062 8.633 2.314 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.180 8.759 3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.575 8.961 4.327 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.319 10.894 2.916 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.882 10.707 1.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.581 12.408 3.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.484 11.117 3.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.909 11.298 4.847 1.00 0.00 H new ATOM 233 N PRO A 16 0.247 6.411 -1.360 1.00 0.00 N ATOM 234 CA PRO A 16 -0.194 6.145 -2.728 1.00 0.00 C ATOM 235 C PRO A 16 -1.440 5.262 -2.764 1.00 0.00 C ATOM 236 O PRO A 16 -2.173 5.239 -3.753 1.00 0.00 O ATOM 237 CB PRO A 16 0.997 5.424 -3.362 1.00 0.00 C ATOM 238 CG PRO A 16 1.729 4.786 -2.230 1.00 0.00 C ATOM 239 CD PRO A 16 1.409 5.577 -0.990 1.00 0.00 C ATOM 0 HA PRO A 16 -0.473 7.059 -3.253 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.665 4.678 -4.084 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.638 6.123 -3.899 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.424 3.746 -2.112 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.803 4.784 -2.419 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.173 4.920 -0.152 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.255 6.192 -0.684 1.00 0.00 H new ATOM 247 N CYS A 17 -1.693 4.569 -1.659 1.00 0.00 N ATOM 248 CA CYS A 17 -2.790 3.615 -1.571 1.00 0.00 C ATOM 249 C CYS A 17 -4.142 4.318 -1.688 1.00 0.00 C ATOM 250 O CYS A 17 -5.141 3.707 -2.092 1.00 0.00 O ATOM 251 CB CYS A 17 -2.708 2.847 -0.253 1.00 0.00 C ATOM 252 SG CYS A 17 -3.736 1.351 -0.187 1.00 0.00 S ATOM 0 H CYS A 17 -1.145 4.653 -0.803 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.701 2.915 -2.401 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.670 2.567 -0.074 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.003 3.511 0.559 1.00 0.00 H new ATOM 257 N LYS A 18 -4.174 5.604 -1.335 1.00 0.00 N ATOM 258 CA LYS A 18 -5.386 6.400 -1.481 1.00 0.00 C ATOM 259 C LYS A 18 -5.816 6.472 -2.948 1.00 0.00 C ATOM 260 O LYS A 18 -7.007 6.550 -3.250 1.00 0.00 O ATOM 261 CB LYS A 18 -5.187 7.817 -0.931 1.00 0.00 C ATOM 262 CG LYS A 18 -4.283 8.696 -1.785 1.00 0.00 C ATOM 263 CD LYS A 18 -4.427 10.171 -1.431 1.00 0.00 C ATOM 264 CE LYS A 18 -3.921 10.474 -0.031 1.00 0.00 C ATOM 265 NZ LYS A 18 -2.455 10.262 0.091 1.00 0.00 N ATOM 0 H LYS A 18 -3.378 6.111 -0.949 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.171 5.910 -0.905 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.160 8.299 -0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.767 7.750 0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.246 8.390 -1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.524 8.550 -2.838 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.875 10.772 -2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.475 10.461 -1.508 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.160 11.506 0.225 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.440 9.839 0.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.158 10.447 1.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.224 9.280 -0.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.956 10.910 -0.551 1.00 0.00 H new ATOM 279 N LYS A 19 -4.845 6.415 -3.860 1.00 0.00 N ATOM 280 CA LYS A 19 -5.135 6.512 -5.287 1.00 0.00 C ATOM 281 C LYS A 19 -5.379 5.128 -5.855 1.00 0.00 C ATOM 282 O LYS A 19 -5.872 4.971 -6.972 1.00 0.00 O ATOM 283 CB LYS A 19 -3.998 7.201 -6.047 1.00 0.00 C ATOM 284 CG LYS A 19 -3.771 8.648 -5.633 1.00 0.00 C ATOM 285 CD LYS A 19 -2.966 9.411 -6.677 1.00 0.00 C ATOM 286 CE LYS A 19 -1.592 8.798 -6.902 1.00 0.00 C ATOM 287 NZ LYS A 19 -0.726 8.912 -5.701 1.00 0.00 N ATOM 0 H LYS A 19 -3.856 6.303 -3.636 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.031 7.120 -5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.077 6.640 -5.891 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.215 7.168 -7.115 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.732 9.139 -5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.247 8.676 -4.677 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.515 9.424 -7.619 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.852 10.448 -6.360 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.704 7.747 -7.169 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.109 9.292 -7.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.255 9.094 -5.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.060 9.697 -5.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.766 8.025 -5.159 1.00 0.00 H new ATOM 301 N ALA A 20 -5.027 4.124 -5.070 1.00 0.00 N ATOM 302 CA ALA A 20 -5.324 2.748 -5.413 1.00 0.00 C ATOM 303 C ALA A 20 -6.763 2.430 -5.033 1.00 0.00 C ATOM 304 O ALA A 20 -7.331 1.427 -5.465 1.00 0.00 O ATOM 305 CB ALA A 20 -4.357 1.804 -4.713 1.00 0.00 C ATOM 0 H ALA A 20 -4.532 4.240 -4.186 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.205 2.611 -6.488 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.595 0.775 -4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.337 2.033 -5.021 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.446 1.927 -3.634 1.00 0.00 H new ATOM 311 N GLY A 21 -7.339 3.313 -4.219 1.00 0.00 N ATOM 312 CA GLY A 21 -8.716 3.167 -3.797 1.00 0.00 C ATOM 313 C GLY A 21 -8.892 2.039 -2.811 1.00 0.00 C ATOM 314 O GLY A 21 -9.956 1.421 -2.746 1.00 0.00 O ATOM 0 H GLY A 21 -6.867 4.135 -3.843 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.057 4.099 -3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.345 2.987 -4.669 1.00 0.00 H new ATOM 318 N MET A 22 -7.857 1.773 -2.030 1.00 0.00 N ATOM 319 CA MET A 22 -7.876 0.641 -1.119 1.00 0.00 C ATOM 320 C MET A 22 -8.024 1.098 0.325 1.00 0.00 C ATOM 321 O MET A 22 -8.148 2.294 0.593 1.00 0.00 O ATOM 322 CB MET A 22 -6.613 -0.199 -1.286 1.00 0.00 C ATOM 323 CG MET A 22 -6.426 -0.741 -2.693 1.00 0.00 C ATOM 324 SD MET A 22 -7.824 -1.732 -3.254 1.00 0.00 S ATOM 325 CE MET A 22 -7.337 -2.080 -4.943 1.00 0.00 C ATOM 0 H MET A 22 -6.998 2.322 -2.009 1.00 0.00 H new ATOM 0 HA MET A 22 -8.741 0.026 -1.366 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.746 0.406 -1.020 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.646 -1.033 -0.585 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.278 0.091 -3.381 1.00 0.00 H new ATOM 0 HG3 MET A 22 -5.521 -1.347 -2.726 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.103 -2.687 -5.425 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.220 -1.143 -5.488 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.391 -2.621 -4.945 1.00 0.00 H new ATOM 335 N ARG A 23 -8.022 0.150 1.249 1.00 0.00 N ATOM 336 CA ARG A 23 -8.224 0.468 2.656 1.00 0.00 C ATOM 337 C ARG A 23 -6.892 0.762 3.355 1.00 0.00 C ATOM 338 O ARG A 23 -6.550 1.924 3.585 1.00 0.00 O ATOM 339 CB ARG A 23 -8.975 -0.673 3.349 1.00 0.00 C ATOM 340 CG ARG A 23 -9.496 -0.324 4.730 1.00 0.00 C ATOM 341 CD ARG A 23 -10.745 -1.128 5.064 1.00 0.00 C ATOM 342 NE ARG A 23 -10.539 -2.567 4.922 1.00 0.00 N ATOM 343 CZ ARG A 23 -11.505 -3.425 4.603 1.00 0.00 C ATOM 344 NH1 ARG A 23 -12.733 -2.987 4.364 1.00 0.00 N ATOM 345 NH2 ARG A 23 -11.243 -4.720 4.533 1.00 0.00 N ATOM 0 H ARG A 23 -7.884 -0.841 1.053 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.830 1.372 2.723 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.814 -0.975 2.722 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.311 -1.534 3.430 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.724 -0.520 5.474 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.722 0.741 4.778 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.052 -0.907 6.086 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.560 -0.815 4.411 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.601 -2.936 5.076 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.940 -1.990 4.424 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.471 -3.647 4.120 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.301 -5.061 4.724 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.983 -5.378 4.289 1.00 0.00 H new ATOM 359 N PHE A 24 -6.136 -0.281 3.688 1.00 0.00 N ATOM 360 CA PHE A 24 -4.833 -0.101 4.321 1.00 0.00 C ATOM 361 C PHE A 24 -3.740 -0.551 3.369 1.00 0.00 C ATOM 362 O PHE A 24 -4.023 -1.109 2.313 1.00 0.00 O ATOM 363 CB PHE A 24 -4.695 -0.899 5.629 1.00 0.00 C ATOM 364 CG PHE A 24 -5.983 -1.377 6.221 1.00 0.00 C ATOM 365 CD1 PHE A 24 -6.512 -2.579 5.812 1.00 0.00 C ATOM 366 CD2 PHE A 24 -6.661 -0.635 7.174 1.00 0.00 C ATOM 367 CE1 PHE A 24 -7.690 -3.049 6.332 1.00 0.00 C ATOM 368 CE2 PHE A 24 -7.849 -1.100 7.706 1.00 0.00 C ATOM 369 CZ PHE A 24 -8.364 -2.311 7.285 1.00 0.00 C ATOM 0 H PHE A 24 -6.401 -1.253 3.531 1.00 0.00 H new ATOM 0 HA PHE A 24 -4.740 0.959 4.559 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.056 -1.762 5.444 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.185 -0.276 6.364 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.990 -3.163 5.068 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.259 0.312 7.503 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.090 -3.995 5.997 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.374 -0.518 8.449 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.291 -2.679 7.700 1.00 0.00 H new ATOM 379 N GLY A 25 -2.502 -0.334 3.772 1.00 0.00 N ATOM 380 CA GLY A 25 -1.365 -0.717 2.970 1.00 0.00 C ATOM 381 C GLY A 25 -0.303 -1.386 3.809 1.00 0.00 C ATOM 382 O GLY A 25 0.455 -0.716 4.512 1.00 0.00 O ATOM 0 H GLY A 25 -2.262 0.110 4.658 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.687 -1.394 2.179 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.946 0.164 2.484 1.00 0.00 H new ATOM 386 N LYS A 26 -0.265 -2.705 3.760 1.00 0.00 N ATOM 387 CA LYS A 26 0.693 -3.473 4.534 1.00 0.00 C ATOM 388 C LYS A 26 1.965 -3.690 3.734 1.00 0.00 C ATOM 389 O LYS A 26 1.987 -3.524 2.512 1.00 0.00 O ATOM 390 CB LYS A 26 0.106 -4.827 4.948 1.00 0.00 C ATOM 391 CG LYS A 26 -0.339 -5.693 3.779 1.00 0.00 C ATOM 392 CD LYS A 26 -0.588 -7.135 4.204 1.00 0.00 C ATOM 393 CE LYS A 26 -1.669 -7.249 5.271 1.00 0.00 C ATOM 394 NZ LYS A 26 -3.015 -6.878 4.757 1.00 0.00 N ATOM 0 H LYS A 26 -0.892 -3.270 3.187 1.00 0.00 H new ATOM 0 HA LYS A 26 0.927 -2.906 5.435 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.851 -5.372 5.528 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.747 -4.656 5.605 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.250 -5.279 3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.423 -5.670 3.000 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.878 -7.722 3.333 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.339 -7.564 4.583 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.696 -8.271 5.649 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.414 -6.605 6.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.724 -7.020 5.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.013 -5.879 4.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.251 -7.475 3.939 1.00 0.00 H new ATOM 408 N CYS A 27 3.020 -4.065 4.426 1.00 0.00 N ATOM 409 CA CYS A 27 4.287 -4.331 3.782 1.00 0.00 C ATOM 410 C CYS A 27 4.363 -5.771 3.311 1.00 0.00 C ATOM 411 O CYS A 27 4.220 -6.707 4.099 1.00 0.00 O ATOM 412 CB CYS A 27 5.445 -4.022 4.721 1.00 0.00 C ATOM 413 SG CYS A 27 6.132 -2.351 4.512 1.00 0.00 S ATOM 0 H CYS A 27 3.024 -4.193 5.438 1.00 0.00 H new ATOM 0 HA CYS A 27 4.363 -3.680 2.911 1.00 0.00 H new ATOM 0 HB2 CYS A 27 5.107 -4.140 5.751 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.237 -4.753 4.559 1.00 0.00 H new ATOM 418 N ILE A 28 4.580 -5.933 2.022 1.00 0.00 N ATOM 419 CA ILE A 28 4.708 -7.238 1.414 1.00 0.00 C ATOM 420 C ILE A 28 6.167 -7.444 1.011 1.00 0.00 C ATOM 421 O ILE A 28 6.967 -6.519 1.143 1.00 0.00 O ATOM 422 CB ILE A 28 3.731 -7.361 0.210 1.00 0.00 C ATOM 423 CG1 ILE A 28 2.832 -8.589 0.368 1.00 0.00 C ATOM 424 CG2 ILE A 28 4.459 -7.406 -1.124 1.00 0.00 C ATOM 425 CD1 ILE A 28 1.936 -8.541 1.589 1.00 0.00 C ATOM 0 H ILE A 28 4.673 -5.158 1.365 1.00 0.00 H new ATOM 0 HA ILE A 28 4.436 -8.024 2.118 1.00 0.00 H new ATOM 0 HB ILE A 28 3.112 -6.464 0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.211 -8.690 -0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.457 -9.480 0.423 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.733 -7.492 -1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.039 -6.492 -1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.128 -8.266 -1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.330 -9.446 1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.549 -8.473 2.488 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.284 -7.670 1.528 1.00 0.00 H new ATOM 437 N ASN A 29 6.516 -8.648 0.560 1.00 0.00 N ATOM 438 CA ASN A 29 7.897 -8.977 0.202 1.00 0.00 C ATOM 439 C ASN A 29 8.426 -8.050 -0.889 1.00 0.00 C ATOM 440 O ASN A 29 8.315 -8.338 -2.081 1.00 0.00 O ATOM 441 CB ASN A 29 8.004 -10.433 -0.259 1.00 0.00 C ATOM 442 CG ASN A 29 7.566 -11.413 0.809 1.00 0.00 C ATOM 443 OD1 ASN A 29 8.358 -11.822 1.655 1.00 0.00 O ATOM 444 ND2 ASN A 29 6.304 -11.810 0.767 1.00 0.00 N ATOM 0 H ASN A 29 5.858 -9.417 0.433 1.00 0.00 H new ATOM 0 HA ASN A 29 8.507 -8.839 1.095 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.392 -10.574 -1.150 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.035 -10.646 -0.543 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.957 -12.480 1.454 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.679 -11.446 0.048 1.00 0.00 H new ATOM 451 N GLY A 30 8.979 -6.924 -0.464 1.00 0.00 N ATOM 452 CA GLY A 30 9.560 -5.972 -1.383 1.00 0.00 C ATOM 453 C GLY A 30 8.596 -4.868 -1.769 1.00 0.00 C ATOM 454 O GLY A 30 9.016 -3.767 -2.125 1.00 0.00 O ATOM 0 H GLY A 30 9.035 -6.651 0.517 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.448 -5.531 -0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.887 -6.494 -2.282 1.00 0.00 H new ATOM 458 N LYS A 31 7.300 -5.137 -1.664 1.00 0.00 N ATOM 459 CA LYS A 31 6.295 -4.218 -2.198 1.00 0.00 C ATOM 460 C LYS A 31 5.347 -3.746 -1.110 1.00 0.00 C ATOM 461 O LYS A 31 5.377 -4.240 0.013 1.00 0.00 O ATOM 462 CB LYS A 31 5.479 -4.892 -3.310 1.00 0.00 C ATOM 463 CG LYS A 31 6.293 -5.347 -4.509 1.00 0.00 C ATOM 464 CD LYS A 31 6.869 -4.172 -5.282 1.00 0.00 C ATOM 465 CE LYS A 31 7.453 -4.621 -6.610 1.00 0.00 C ATOM 466 NZ LYS A 31 8.574 -5.579 -6.436 1.00 0.00 N ATOM 0 H LYS A 31 6.921 -5.973 -1.220 1.00 0.00 H new ATOM 0 HA LYS A 31 6.828 -3.358 -2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.962 -5.755 -2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.712 -4.197 -3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.104 -5.993 -4.173 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.664 -5.943 -5.170 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.089 -3.431 -5.457 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.643 -3.686 -4.687 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.671 -5.085 -7.210 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.804 -3.750 -7.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.017 -5.766 -7.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.280 -5.174 -5.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.211 -6.469 -6.039 1.00 0.00 H new ATOM 480 N CYS A 32 4.522 -2.776 -1.448 1.00 0.00 N ATOM 481 CA CYS A 32 3.410 -2.394 -0.599 1.00 0.00 C ATOM 482 C CYS A 32 2.144 -3.059 -1.110 1.00 0.00 C ATOM 483 O CYS A 32 1.762 -2.874 -2.265 1.00 0.00 O ATOM 484 CB CYS A 32 3.222 -0.874 -0.576 1.00 0.00 C ATOM 485 SG CYS A 32 4.576 0.040 0.234 1.00 0.00 S ATOM 0 H CYS A 32 4.601 -2.235 -2.309 1.00 0.00 H new ATOM 0 HA CYS A 32 3.623 -2.721 0.419 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.121 -0.517 -1.601 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.287 -0.643 -0.065 1.00 0.00 H new ATOM 490 N ASP A 33 1.516 -3.865 -0.279 1.00 0.00 N ATOM 491 CA ASP A 33 0.255 -4.477 -0.661 1.00 0.00 C ATOM 492 C ASP A 33 -0.892 -3.881 0.124 1.00 0.00 C ATOM 493 O ASP A 33 -0.892 -3.887 1.349 1.00 0.00 O ATOM 494 CB ASP A 33 0.275 -5.987 -0.468 1.00 0.00 C ATOM 495 CG ASP A 33 -1.078 -6.595 -0.768 1.00 0.00 C ATOM 496 OD1 ASP A 33 -1.594 -6.366 -1.882 1.00 0.00 O ATOM 497 OD2 ASP A 33 -1.642 -7.281 0.109 1.00 0.00 O ATOM 0 H ASP A 33 1.850 -4.111 0.653 1.00 0.00 H new ATOM 0 HA ASP A 33 0.112 -4.271 -1.722 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.028 -6.430 -1.120 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.563 -6.222 0.557 1.00 0.00 H new ATOM 502 N CYS A 34 -1.871 -3.374 -0.588 1.00 0.00 N ATOM 503 CA CYS A 34 -3.021 -2.769 0.048 1.00 0.00 C ATOM 504 C CYS A 34 -4.134 -3.780 0.242 1.00 0.00 C ATOM 505 O CYS A 34 -4.260 -4.745 -0.513 1.00 0.00 O ATOM 506 CB CYS A 34 -3.541 -1.596 -0.772 1.00 0.00 C ATOM 507 SG CYS A 34 -2.470 -0.128 -0.764 1.00 0.00 S ATOM 0 H CYS A 34 -1.896 -3.368 -1.608 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.699 -2.408 1.024 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.678 -1.923 -1.803 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.524 -1.314 -0.394 1.00 0.00 H new ATOM 512 N THR A 35 -4.932 -3.551 1.262 1.00 0.00 N ATOM 513 CA THR A 35 -6.088 -4.370 1.523 1.00 0.00 C ATOM 514 C THR A 35 -7.319 -3.690 0.955 1.00 0.00 C ATOM 515 O THR A 35 -7.654 -2.578 1.354 1.00 0.00 O ATOM 516 CB THR A 35 -6.269 -4.572 3.025 1.00 0.00 C ATOM 517 OG1 THR A 35 -5.086 -5.164 3.575 1.00 0.00 O ATOM 518 CG2 THR A 35 -7.477 -5.441 3.327 1.00 0.00 C ATOM 0 H THR A 35 -4.795 -2.793 1.930 1.00 0.00 H new ATOM 0 HA THR A 35 -5.947 -5.343 1.052 1.00 0.00 H new ATOM 0 HB THR A 35 -6.439 -3.598 3.483 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.202 -5.292 4.540 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.576 -5.564 4.405 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.375 -4.966 2.932 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.348 -6.418 2.861 1.00 0.00 H new ATOM 526 N PRO A 36 -7.994 -4.328 0.005 1.00 0.00 N ATOM 527 CA PRO A 36 -9.154 -3.742 -0.644 1.00 0.00 C ATOM 528 C PRO A 36 -10.392 -3.753 0.251 1.00 0.00 C ATOM 529 O PRO A 36 -10.604 -4.679 1.039 1.00 0.00 O ATOM 530 CB PRO A 36 -9.340 -4.635 -1.859 1.00 0.00 C ATOM 531 CG PRO A 36 -8.852 -5.964 -1.418 1.00 0.00 C ATOM 532 CD PRO A 36 -7.690 -5.674 -0.516 1.00 0.00 C ATOM 0 HA PRO A 36 -9.012 -2.689 -0.890 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.385 -4.677 -2.165 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.772 -4.267 -2.714 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.631 -6.515 -0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -8.548 -6.574 -2.268 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.610 -6.408 0.286 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -6.745 -5.691 -1.059 1.00 0.00 H new ATOM 540 N LYS A 37 -11.189 -2.703 0.127 1.00 0.00 N ATOM 541 CA LYS A 37 -12.399 -2.533 0.921 1.00 0.00 C ATOM 542 C LYS A 37 -13.437 -3.591 0.559 1.00 0.00 C ATOM 543 O LYS A 37 -14.013 -3.502 -0.544 1.00 0.00 O ATOM 544 CB LYS A 37 -12.972 -1.133 0.686 1.00 0.00 C ATOM 545 CG LYS A 37 -12.003 -0.013 1.038 1.00 0.00 C ATOM 546 CD LYS A 37 -12.468 1.332 0.496 1.00 0.00 C ATOM 547 CE LYS A 37 -13.792 1.769 1.104 1.00 0.00 C ATOM 548 NZ LYS A 37 -13.677 2.047 2.560 1.00 0.00 N ATOM 549 OXT LYS A 37 -13.674 -4.506 1.376 1.00 0.00 O ATOM 0 H LYS A 37 -11.015 -1.941 -0.529 1.00 0.00 H new ATOM 0 HA LYS A 37 -12.146 -2.651 1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.260 -1.038 -0.361 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.880 -1.017 1.278 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.898 0.049 2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.017 -0.246 0.635 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.709 2.087 0.701 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.570 1.270 -0.587 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.147 2.663 0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.538 0.991 0.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.563 2.469 2.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.496 1.159 3.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.891 2.708 2.726 1.00 0.00 H new