USER MOD reduce.3.24.130724 H: found=0, std=0, add=271, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 266 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 5 ASN : amide:sc= -0.546 K(o=-0.55,f=-7.4!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 50:sc= 0.409 USER MOD Single : A 11 SER OG : rot -158:sc= 1.35 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 0.0616 (180deg=0.0592) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.517 X(o=-0.52,f=-0.48) USER MOD Single : A 32 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0757) USER MOD Single : A 34 HIS : no HE2:sc= 0.319 K(o=0.32,f=-3.1!) USER MOD Single : A 36 THR OG1 : rot 47:sc= 0.663 USER MOD ----------------------------------------------------------------- ATOM 9 N VAL A 2 -10.141 -1.686 -5.749 1.00 0.00 N ATOM 10 CA VAL A 2 -8.885 -1.633 -4.957 1.00 0.00 C ATOM 11 C VAL A 2 -8.587 -0.189 -4.486 1.00 0.00 C ATOM 12 O VAL A 2 -7.579 0.430 -4.835 1.00 0.00 O ATOM 13 CB VAL A 2 -7.697 -2.235 -5.755 1.00 0.00 C ATOM 14 CG1 VAL A 2 -7.736 -3.772 -5.750 1.00 0.00 C ATOM 15 CG2 VAL A 2 -7.549 -1.725 -7.201 1.00 0.00 C ATOM 0 HA VAL A 2 -9.020 -2.245 -4.065 1.00 0.00 H new ATOM 0 HB VAL A 2 -6.816 -1.879 -5.221 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -6.890 -4.159 -6.318 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.680 -4.134 -4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.665 -4.114 -6.205 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -6.691 -2.206 -7.670 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.451 -1.962 -7.765 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -7.400 -0.645 -7.193 1.00 0.00 H new ATOM 25 N GLU A 3 -9.549 0.376 -3.766 1.00 0.00 N ATOM 26 CA GLU A 3 -9.387 1.734 -3.194 1.00 0.00 C ATOM 27 C GLU A 3 -10.104 1.752 -1.841 1.00 0.00 C ATOM 28 O GLU A 3 -11.184 2.342 -1.741 1.00 0.00 O ATOM 29 CB GLU A 3 -9.832 2.833 -4.192 1.00 0.00 C ATOM 30 CG GLU A 3 -11.230 2.666 -4.820 1.00 0.00 C ATOM 31 CD GLU A 3 -11.562 3.814 -5.769 1.00 0.00 C ATOM 32 OE1 GLU A 3 -11.338 3.778 -6.978 1.00 0.00 O ATOM 33 OE2 GLU A 3 -12.131 4.875 -5.116 1.00 0.00 O ATOM 0 H GLU A 3 -10.444 -0.067 -3.559 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.338 1.971 -3.017 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.801 3.794 -3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.099 2.879 -4.998 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -11.275 1.721 -5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.980 2.617 -4.031 1.00 0.00 H new ATOM 41 N ILE A 4 -9.574 1.078 -0.814 1.00 0.00 N ATOM 42 CA ILE A 4 -10.319 1.033 0.479 1.00 0.00 C ATOM 43 C ILE A 4 -9.700 1.988 1.532 1.00 0.00 C ATOM 44 O ILE A 4 -9.958 1.846 2.729 1.00 0.00 O ATOM 45 CB ILE A 4 -10.414 -0.454 0.961 1.00 0.00 C ATOM 46 CG1 ILE A 4 -10.670 -1.512 -0.150 1.00 0.00 C ATOM 47 CG2 ILE A 4 -11.503 -0.634 2.042 1.00 0.00 C ATOM 48 CD1 ILE A 4 -11.988 -1.375 -0.926 1.00 0.00 C ATOM 0 H ILE A 4 -8.685 0.578 -0.831 1.00 0.00 H new ATOM 0 HA ILE A 4 -11.335 1.401 0.332 1.00 0.00 H new ATOM 0 HB ILE A 4 -9.417 -0.642 1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.847 -1.466 -0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.642 -2.502 0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -11.539 -1.678 2.352 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -11.268 -0.008 2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -12.471 -0.342 1.635 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -12.055 -2.167 -1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.827 -1.456 -0.235 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -12.019 -0.405 -1.422 1.00 0.00 H new ATOM 60 N ASN A 5 -8.902 2.982 1.114 1.00 0.00 N ATOM 61 CA ASN A 5 -8.174 3.836 2.069 1.00 0.00 C ATOM 62 C ASN A 5 -7.517 5.068 1.408 1.00 0.00 C ATOM 63 O ASN A 5 -7.368 5.169 0.187 1.00 0.00 O ATOM 64 CB ASN A 5 -7.058 2.904 2.611 1.00 0.00 C ATOM 65 CG ASN A 5 -6.170 3.481 3.712 1.00 0.00 C ATOM 66 OD1 ASN A 5 -5.049 3.906 3.451 1.00 0.00 O ATOM 67 ND2 ASN A 5 -6.652 3.507 4.944 1.00 0.00 N ATOM 0 H ASN A 5 -8.744 3.214 0.133 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.851 4.234 2.825 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.525 1.995 2.990 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.421 2.611 1.776 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.088 3.887 5.704 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.587 3.147 5.133 1.00 0.00 H new ATOM 74 N VAL A 6 -7.102 5.990 2.279 1.00 0.00 N ATOM 75 CA VAL A 6 -6.346 7.187 1.880 1.00 0.00 C ATOM 76 C VAL A 6 -5.163 7.190 2.881 1.00 0.00 C ATOM 77 O VAL A 6 -5.326 7.560 4.045 1.00 0.00 O ATOM 78 CB VAL A 6 -7.235 8.462 1.858 1.00 0.00 C ATOM 79 CG1 VAL A 6 -7.936 8.815 3.184 1.00 0.00 C ATOM 80 CG2 VAL A 6 -6.441 9.678 1.356 1.00 0.00 C ATOM 0 H VAL A 6 -7.279 5.931 3.282 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.979 7.178 0.854 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.037 8.209 1.165 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.528 9.721 3.053 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.589 7.994 3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.187 8.980 3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.086 10.557 1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.592 9.856 2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.081 9.486 0.345 1.00 0.00 H new ATOM 90 N LYS A 7 -4.001 6.701 2.419 1.00 0.00 N ATOM 91 CA LYS A 7 -2.745 6.594 3.211 1.00 0.00 C ATOM 92 C LYS A 7 -2.843 5.601 4.403 1.00 0.00 C ATOM 93 O LYS A 7 -3.681 5.732 5.298 1.00 0.00 O ATOM 94 CB LYS A 7 -2.126 7.960 3.609 1.00 0.00 C ATOM 95 CG LYS A 7 -2.860 8.853 4.622 1.00 0.00 C ATOM 96 CD LYS A 7 -1.964 9.991 5.133 1.00 0.00 C ATOM 97 CE LYS A 7 -2.701 10.888 6.133 1.00 0.00 C ATOM 98 NZ LYS A 7 -1.822 11.970 6.608 1.00 0.00 N ATOM 0 H LYS A 7 -3.897 6.359 1.464 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.029 6.152 2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.130 7.765 4.006 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.997 8.540 2.695 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.752 9.273 4.157 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.195 8.248 5.464 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.077 9.571 5.607 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.621 10.591 4.290 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.588 11.313 5.663 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.043 10.293 6.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.340 12.566 7.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.988 11.560 7.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.516 12.549 5.800 1.00 0.00 H new ATOM 111 N CYS A 8 -1.976 4.580 4.374 1.00 0.00 N ATOM 112 CA CYS A 8 -1.914 3.543 5.416 1.00 0.00 C ATOM 113 C CYS A 8 -0.542 2.886 5.293 1.00 0.00 C ATOM 114 O CYS A 8 -0.263 2.178 4.320 1.00 0.00 O ATOM 115 CB CYS A 8 -2.997 2.470 5.249 1.00 0.00 C ATOM 116 SG CYS A 8 -2.639 1.080 6.363 1.00 0.00 S ATOM 0 H CYS A 8 -1.295 4.448 3.626 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.077 4.004 6.390 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.978 2.888 5.474 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -3.027 2.125 4.216 1.00 0.00 H new ATOM 121 N SER A 9 0.305 3.102 6.300 1.00 0.00 N ATOM 122 CA SER A 9 1.664 2.531 6.271 1.00 0.00 C ATOM 123 C SER A 9 1.767 1.157 6.970 1.00 0.00 C ATOM 124 O SER A 9 2.526 0.983 7.925 1.00 0.00 O ATOM 125 CB SER A 9 2.646 3.589 6.815 1.00 0.00 C ATOM 126 OG SER A 9 2.536 3.748 8.224 1.00 0.00 O ATOM 0 H SER A 9 0.088 3.654 7.130 1.00 0.00 H new ATOM 0 HA SER A 9 1.937 2.301 5.241 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.666 3.300 6.562 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.455 4.545 6.327 1.00 0.00 H new ATOM 0 HG SER A 9 2.570 2.869 8.656 1.00 0.00 H new ATOM 132 N GLY A 10 0.977 0.174 6.500 1.00 0.00 N ATOM 133 CA GLY A 10 1.098 -1.200 6.988 1.00 0.00 C ATOM 134 C GLY A 10 1.890 -1.818 5.835 1.00 0.00 C ATOM 135 O GLY A 10 1.322 -2.496 4.976 1.00 0.00 O ATOM 0 H GLY A 10 0.257 0.309 5.790 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.628 -1.260 7.938 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.129 -1.678 7.133 1.00 0.00 H new ATOM 139 N SER A 11 3.195 -1.496 5.801 1.00 0.00 N ATOM 140 CA SER A 11 4.099 -1.935 4.718 1.00 0.00 C ATOM 141 C SER A 11 4.049 -3.474 4.616 1.00 0.00 C ATOM 142 O SER A 11 3.211 -3.815 3.812 1.00 0.00 O ATOM 143 CB SER A 11 5.460 -1.252 4.932 1.00 0.00 C ATOM 144 OG SER A 11 5.366 0.131 4.615 1.00 0.00 O ATOM 0 H SER A 11 3.652 -0.929 6.516 1.00 0.00 H new ATOM 0 HA SER A 11 3.801 -1.618 3.719 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.779 -1.375 5.967 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.216 -1.726 4.307 1.00 0.00 H new ATOM 0 HG SER A 11 6.259 0.483 4.417 1.00 0.00 H new ATOM 150 N PRO A 12 4.742 -4.442 5.258 1.00 0.00 N ATOM 151 CA PRO A 12 4.443 -5.886 5.057 1.00 0.00 C ATOM 152 C PRO A 12 3.007 -6.219 5.519 1.00 0.00 C ATOM 153 O PRO A 12 2.674 -6.565 6.652 1.00 0.00 O ATOM 154 CB PRO A 12 5.618 -6.609 5.723 1.00 0.00 C ATOM 155 CG PRO A 12 6.457 -5.514 6.379 1.00 0.00 C ATOM 156 CD PRO A 12 6.168 -4.322 5.475 1.00 0.00 C ATOM 0 HA PRO A 12 4.397 -6.223 4.021 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.267 -7.329 6.462 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.203 -7.164 4.990 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.155 -5.329 7.410 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.517 -5.766 6.398 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.429 -3.377 5.951 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.728 -4.374 4.541 1.00 0.00 H new ATOM 164 N GLN A 13 2.208 -6.017 4.476 1.00 0.00 N ATOM 165 CA GLN A 13 0.757 -6.052 4.429 1.00 0.00 C ATOM 166 C GLN A 13 0.473 -5.590 2.993 1.00 0.00 C ATOM 167 O GLN A 13 0.090 -6.416 2.167 1.00 0.00 O ATOM 168 CB GLN A 13 0.096 -5.161 5.517 1.00 0.00 C ATOM 169 CG GLN A 13 -0.676 -6.056 6.480 1.00 0.00 C ATOM 170 CD GLN A 13 -1.501 -5.257 7.491 1.00 0.00 C ATOM 171 OE1 GLN A 13 -1.010 -4.851 8.542 1.00 0.00 O ATOM 172 NE2 GLN A 13 -2.766 -5.017 7.187 1.00 0.00 N ATOM 0 H GLN A 13 2.601 -5.805 3.559 1.00 0.00 H new ATOM 0 HA GLN A 13 0.333 -7.032 4.650 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.856 -4.595 6.055 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.574 -4.436 5.055 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.338 -6.709 5.912 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.024 -6.698 7.014 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.154 -5.363 6.309 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.353 -4.486 7.830 1.00 0.00 H new ATOM 181 N CYS A 14 0.802 -4.338 2.640 1.00 0.00 N ATOM 182 CA CYS A 14 0.680 -3.890 1.249 1.00 0.00 C ATOM 183 C CYS A 14 2.076 -4.022 0.637 1.00 0.00 C ATOM 184 O CYS A 14 2.259 -4.643 -0.416 1.00 0.00 O ATOM 185 CB CYS A 14 0.405 -2.397 1.008 1.00 0.00 C ATOM 186 SG CYS A 14 1.011 -1.172 2.140 1.00 0.00 S ATOM 0 H CYS A 14 1.149 -3.630 3.288 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.148 -4.477 0.852 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.806 -2.151 0.024 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.677 -2.275 0.951 1.00 0.00 H new ATOM 191 N LEU A 15 3.045 -3.370 1.290 1.00 0.00 N ATOM 192 CA LEU A 15 4.407 -3.394 0.825 1.00 0.00 C ATOM 193 C LEU A 15 4.994 -4.823 0.794 1.00 0.00 C ATOM 194 O LEU A 15 6.075 -4.969 0.243 1.00 0.00 O ATOM 195 CB LEU A 15 5.322 -2.500 1.683 1.00 0.00 C ATOM 196 CG LEU A 15 6.581 -2.038 0.932 1.00 0.00 C ATOM 197 CD1 LEU A 15 6.257 -0.958 -0.109 1.00 0.00 C ATOM 198 CD2 LEU A 15 7.663 -1.550 1.901 1.00 0.00 C ATOM 0 H LEU A 15 2.896 -2.825 2.139 1.00 0.00 H new ATOM 0 HA LEU A 15 4.374 -3.006 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.761 -1.626 2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.619 -3.046 2.579 1.00 0.00 H new ATOM 0 HG LEU A 15 6.971 -2.906 0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.173 -0.658 -0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.550 -1.355 -0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.818 -0.093 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.539 -1.231 1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.280 -0.711 2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.941 -2.361 2.575 1.00 0.00 H new ATOM 210 N LYS A 16 4.414 -5.892 1.387 1.00 0.00 N ATOM 211 CA LYS A 16 4.999 -7.245 1.154 1.00 0.00 C ATOM 212 C LYS A 16 4.824 -7.475 -0.389 1.00 0.00 C ATOM 213 O LYS A 16 5.834 -7.400 -1.096 1.00 0.00 O ATOM 214 CB LYS A 16 4.447 -8.291 2.146 1.00 0.00 C ATOM 215 CG LYS A 16 4.893 -9.729 1.838 1.00 0.00 C ATOM 216 CD LYS A 16 4.356 -10.724 2.875 1.00 0.00 C ATOM 217 CE LYS A 16 4.800 -12.158 2.567 1.00 0.00 C ATOM 218 NZ LYS A 16 4.271 -13.094 3.574 1.00 0.00 N ATOM 0 H LYS A 16 3.594 -5.861 1.993 1.00 0.00 H new ATOM 0 HA LYS A 16 6.060 -7.347 1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.768 -8.028 3.154 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.358 -8.248 2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.544 -10.014 0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.982 -9.776 1.818 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.706 -10.440 3.867 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.267 -10.676 2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.451 -12.447 1.576 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.889 -12.211 2.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.583 -14.060 3.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.624 -12.828 4.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.232 -13.056 3.571 1.00 0.00 H new ATOM 231 N PRO A 17 3.626 -7.613 -0.995 1.00 0.00 N ATOM 232 CA PRO A 17 3.499 -7.677 -2.470 1.00 0.00 C ATOM 233 C PRO A 17 4.153 -6.483 -3.241 1.00 0.00 C ATOM 234 O PRO A 17 4.678 -6.697 -4.337 1.00 0.00 O ATOM 235 CB PRO A 17 1.975 -7.743 -2.623 1.00 0.00 C ATOM 236 CG PRO A 17 1.536 -8.554 -1.406 1.00 0.00 C ATOM 237 CD PRO A 17 2.406 -8.012 -0.284 1.00 0.00 C ATOM 0 HA PRO A 17 4.037 -8.515 -2.912 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.527 -6.749 -2.627 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.685 -8.227 -3.555 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.476 -8.417 -1.194 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.695 -9.622 -1.557 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.937 -7.168 0.222 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.607 -8.768 0.475 1.00 0.00 H new ATOM 245 N CYS A 18 4.127 -5.250 -2.692 1.00 0.00 N ATOM 246 CA CYS A 18 4.771 -4.081 -3.325 1.00 0.00 C ATOM 247 C CYS A 18 6.138 -3.714 -2.682 1.00 0.00 C ATOM 248 O CYS A 18 6.445 -2.522 -2.612 1.00 0.00 O ATOM 249 CB CYS A 18 3.821 -2.866 -3.238 1.00 0.00 C ATOM 250 SG CYS A 18 4.588 -1.414 -4.032 1.00 0.00 S ATOM 0 H CYS A 18 3.665 -5.039 -1.808 1.00 0.00 H new ATOM 0 HA CYS A 18 4.969 -4.348 -4.363 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.874 -3.099 -3.725 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.597 -2.644 -2.195 1.00 0.00 H new ATOM 255 N LYS A 19 7.001 -4.646 -2.218 1.00 0.00 N ATOM 256 CA LYS A 19 8.357 -4.223 -1.705 1.00 0.00 C ATOM 257 C LYS A 19 9.313 -4.139 -2.926 1.00 0.00 C ATOM 258 O LYS A 19 10.348 -4.787 -3.085 1.00 0.00 O ATOM 259 CB LYS A 19 8.967 -4.979 -0.500 1.00 0.00 C ATOM 260 CG LYS A 19 8.764 -6.491 -0.351 1.00 0.00 C ATOM 261 CD LYS A 19 9.535 -7.079 0.843 1.00 0.00 C ATOM 262 CE LYS A 19 9.004 -6.597 2.207 1.00 0.00 C ATOM 263 NZ LYS A 19 9.757 -7.218 3.308 1.00 0.00 N ATOM 0 H LYS A 19 6.814 -5.648 -2.181 1.00 0.00 H new ATOM 0 HA LYS A 19 8.205 -3.252 -1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.042 -4.798 -0.516 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.579 -4.511 0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.701 -6.701 -0.231 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.085 -6.988 -1.266 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.479 -8.167 0.803 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.588 -6.810 0.755 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.085 -5.512 2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.946 -6.844 2.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.384 -6.880 4.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.659 -8.252 3.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.762 -6.961 3.229 1.00 0.00 H new ATOM 276 N ASP A 20 8.833 -3.221 -3.748 1.00 0.00 N ATOM 277 CA ASP A 20 9.366 -2.829 -5.052 1.00 0.00 C ATOM 278 C ASP A 20 9.291 -1.284 -5.238 1.00 0.00 C ATOM 279 O ASP A 20 10.036 -0.761 -6.069 1.00 0.00 O ATOM 280 CB ASP A 20 8.471 -3.545 -6.093 1.00 0.00 C ATOM 281 CG ASP A 20 8.881 -5.001 -6.325 1.00 0.00 C ATOM 282 OD1 ASP A 20 8.332 -5.953 -5.774 1.00 0.00 O ATOM 283 OD2 ASP A 20 9.924 -5.109 -7.209 1.00 0.00 O ATOM 0 H ASP A 20 7.998 -2.687 -3.508 1.00 0.00 H new ATOM 0 HA ASP A 20 10.415 -3.106 -5.158 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.434 -3.513 -5.758 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.517 -3.004 -7.038 1.00 0.00 H new ATOM 289 N ALA A 21 8.419 -0.545 -4.509 1.00 0.00 N ATOM 290 CA ALA A 21 8.293 0.912 -4.672 1.00 0.00 C ATOM 291 C ALA A 21 8.856 1.643 -3.433 1.00 0.00 C ATOM 292 O ALA A 21 10.058 1.915 -3.409 1.00 0.00 O ATOM 293 CB ALA A 21 6.830 1.222 -5.018 1.00 0.00 C ATOM 0 H ALA A 21 7.796 -0.940 -3.805 1.00 0.00 H new ATOM 0 HA ALA A 21 8.897 1.290 -5.497 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.706 2.297 -5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.559 0.714 -5.944 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.184 0.875 -4.211 1.00 0.00 H new ATOM 299 N GLY A 22 8.035 1.982 -2.426 1.00 0.00 N ATOM 300 CA GLY A 22 8.530 2.704 -1.242 1.00 0.00 C ATOM 301 C GLY A 22 7.969 2.134 0.056 1.00 0.00 C ATOM 302 O GLY A 22 8.546 1.239 0.675 1.00 0.00 O ATOM 0 H GLY A 22 7.037 1.771 -2.407 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.619 2.655 -1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.260 3.757 -1.321 1.00 0.00 H new ATOM 306 N MET A 23 6.841 2.717 0.455 1.00 0.00 N ATOM 307 CA MET A 23 6.134 2.344 1.692 1.00 0.00 C ATOM 308 C MET A 23 4.630 2.413 1.398 1.00 0.00 C ATOM 309 O MET A 23 3.985 1.365 1.292 1.00 0.00 O ATOM 310 CB MET A 23 6.539 3.236 2.892 1.00 0.00 C ATOM 311 CG MET A 23 7.980 3.049 3.380 1.00 0.00 C ATOM 312 SD MET A 23 8.224 1.357 3.953 1.00 0.00 S ATOM 313 CE MET A 23 9.989 1.394 4.304 1.00 0.00 C ATOM 0 H MET A 23 6.385 3.465 -0.068 1.00 0.00 H new ATOM 0 HA MET A 23 6.411 1.332 1.989 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.398 4.280 2.613 1.00 0.00 H new ATOM 0 HB3 MET A 23 5.861 3.033 3.721 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.678 3.272 2.573 1.00 0.00 H new ATOM 0 HG3 MET A 23 8.193 3.749 4.188 1.00 0.00 H new ATOM 0 HE1 MET A 23 10.308 0.418 4.671 1.00 0.00 H new ATOM 0 HE2 MET A 23 10.536 1.635 3.393 1.00 0.00 H new ATOM 0 HE3 MET A 23 10.194 2.151 5.061 1.00 0.00 H new ATOM 323 N ARG A 24 4.067 3.619 1.247 1.00 0.00 N ATOM 324 CA ARG A 24 2.613 3.738 1.011 1.00 0.00 C ATOM 325 C ARG A 24 2.158 5.063 0.339 1.00 0.00 C ATOM 326 O ARG A 24 2.943 5.921 -0.070 1.00 0.00 O ATOM 327 CB ARG A 24 1.926 3.582 2.399 1.00 0.00 C ATOM 328 CG ARG A 24 2.148 4.749 3.385 1.00 0.00 C ATOM 329 CD ARG A 24 1.129 5.896 3.291 1.00 0.00 C ATOM 330 NE ARG A 24 1.393 6.910 4.331 1.00 0.00 N ATOM 331 CZ ARG A 24 2.163 7.989 4.130 1.00 0.00 C ATOM 332 NH1 ARG A 24 2.771 8.240 2.975 1.00 0.00 N ATOM 333 NH2 ARG A 24 2.327 8.841 5.125 1.00 0.00 N ATOM 0 H ARG A 24 4.573 4.504 1.282 1.00 0.00 H new ATOM 0 HA ARG A 24 2.326 2.965 0.299 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.854 3.460 2.243 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.287 2.664 2.863 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.130 4.353 4.400 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.145 5.157 3.219 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.181 6.357 2.304 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.119 5.503 3.406 1.00 0.00 H new ATOM 0 HE ARG A 24 0.968 6.783 5.249 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.662 7.597 2.191 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.347 9.076 2.873 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.873 8.671 6.022 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.908 9.669 4.997 1.00 0.00 H new ATOM 346 N PHE A 25 0.822 5.134 0.246 1.00 0.00 N ATOM 347 CA PHE A 25 0.012 6.303 -0.192 1.00 0.00 C ATOM 348 C PHE A 25 -1.483 5.870 -0.339 1.00 0.00 C ATOM 349 O PHE A 25 -2.350 6.746 -0.293 1.00 0.00 O ATOM 350 CB PHE A 25 0.617 7.064 -1.387 1.00 0.00 C ATOM 351 CG PHE A 25 -0.323 7.940 -2.218 1.00 0.00 C ATOM 352 CD1 PHE A 25 -0.746 9.158 -1.735 1.00 0.00 C ATOM 353 CD2 PHE A 25 -0.751 7.514 -3.455 1.00 0.00 C ATOM 354 CE1 PHE A 25 -1.599 9.936 -2.478 1.00 0.00 C ATOM 355 CE2 PHE A 25 -1.604 8.294 -4.196 1.00 0.00 C ATOM 356 CZ PHE A 25 -2.028 9.503 -3.707 1.00 0.00 C ATOM 0 H PHE A 25 0.234 4.336 0.486 1.00 0.00 H new ATOM 0 HA PHE A 25 0.038 7.069 0.583 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.421 7.697 -1.010 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.073 6.333 -2.055 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.406 9.502 -0.769 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.415 6.564 -3.844 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.932 10.889 -2.095 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.941 7.955 -5.164 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.700 10.115 -4.290 1.00 0.00 H new ATOM 366 N GLY A 26 -1.822 4.575 -0.474 1.00 0.00 N ATOM 367 CA GLY A 26 -3.235 4.166 -0.571 1.00 0.00 C ATOM 368 C GLY A 26 -3.476 2.674 -0.270 1.00 0.00 C ATOM 369 O GLY A 26 -3.125 1.810 -1.072 1.00 0.00 O ATOM 0 H GLY A 26 -1.152 3.807 -0.518 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.825 4.766 0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.599 4.387 -1.574 1.00 0.00 H new ATOM 373 N LYS A 27 -4.096 2.426 0.891 1.00 0.00 N ATOM 374 CA LYS A 27 -4.502 1.086 1.407 1.00 0.00 C ATOM 375 C LYS A 27 -3.349 0.089 1.670 1.00 0.00 C ATOM 376 O LYS A 27 -2.393 -0.022 0.909 1.00 0.00 O ATOM 377 CB LYS A 27 -5.589 0.381 0.558 1.00 0.00 C ATOM 378 CG LYS A 27 -6.779 -0.269 1.306 1.00 0.00 C ATOM 379 CD LYS A 27 -6.461 -1.092 2.571 1.00 0.00 C ATOM 380 CE LYS A 27 -7.672 -1.739 3.254 1.00 0.00 C ATOM 381 NZ LYS A 27 -8.482 -0.753 3.989 1.00 0.00 N ATOM 0 H LYS A 27 -4.345 3.178 1.534 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.924 1.356 2.375 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.993 1.111 -0.143 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.102 -0.394 -0.034 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.473 0.523 1.586 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.303 -0.919 0.605 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.753 -1.877 2.305 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.963 -0.443 3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.292 -2.231 2.504 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.330 -2.512 3.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.299 -1.229 4.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.903 -0.314 4.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.816 -0.019 3.332 1.00 0.00 H new ATOM 394 N CYS A 28 -3.499 -0.679 2.748 1.00 0.00 N ATOM 395 CA CYS A 28 -2.554 -1.738 3.129 1.00 0.00 C ATOM 396 C CYS A 28 -3.303 -3.099 3.100 1.00 0.00 C ATOM 397 O CYS A 28 -3.859 -3.535 4.110 1.00 0.00 O ATOM 398 CB CYS A 28 -1.942 -1.361 4.489 1.00 0.00 C ATOM 399 SG CYS A 28 -3.219 -0.681 5.587 1.00 0.00 S ATOM 0 H CYS A 28 -4.286 -0.586 3.390 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.720 -1.841 2.434 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.488 -2.240 4.948 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.147 -0.629 4.347 1.00 0.00 H new ATOM 404 N MET A 29 -3.321 -3.758 1.921 1.00 0.00 N ATOM 405 CA MET A 29 -3.990 -5.070 1.695 1.00 0.00 C ATOM 406 C MET A 29 -5.502 -4.918 1.394 1.00 0.00 C ATOM 407 O MET A 29 -6.236 -4.173 2.039 1.00 0.00 O ATOM 408 CB MET A 29 -3.646 -6.186 2.705 1.00 0.00 C ATOM 409 CG MET A 29 -2.847 -7.265 1.961 1.00 0.00 C ATOM 410 SD MET A 29 -2.376 -8.594 3.083 1.00 0.00 S ATOM 411 CE MET A 29 -1.381 -9.599 1.965 1.00 0.00 C ATOM 0 H MET A 29 -2.866 -3.393 1.084 1.00 0.00 H new ATOM 0 HA MET A 29 -3.535 -5.452 0.781 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.064 -5.784 3.534 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.556 -6.610 3.130 1.00 0.00 H new ATOM 0 HG2 MET A 29 -3.444 -7.667 1.143 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.955 -6.823 1.517 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.005 -10.472 2.498 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.994 -9.923 1.124 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.541 -9.010 1.596 1.00 0.00 H new ATOM 421 N ASN A 30 -5.918 -5.705 0.386 1.00 0.00 N ATOM 422 CA ASN A 30 -7.244 -5.611 -0.310 1.00 0.00 C ATOM 423 C ASN A 30 -6.666 -4.916 -1.567 1.00 0.00 C ATOM 424 O ASN A 30 -6.563 -5.486 -2.655 1.00 0.00 O ATOM 425 CB ASN A 30 -8.481 -4.849 0.255 1.00 0.00 C ATOM 426 CG ASN A 30 -8.953 -5.310 1.641 1.00 0.00 C ATOM 427 OD1 ASN A 30 -8.502 -6.313 2.196 1.00 0.00 O ATOM 428 ND2 ASN A 30 -9.891 -4.583 2.220 1.00 0.00 N ATOM 0 H ASN A 30 -5.333 -6.452 0.011 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.754 -6.574 -0.326 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.242 -3.787 0.305 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.307 -4.958 -0.448 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.250 -4.850 3.137 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.257 -3.755 1.751 1.00 0.00 H new ATOM 435 N ARG A 31 -6.286 -3.652 -1.333 1.00 0.00 N ATOM 436 CA ARG A 31 -5.485 -2.863 -2.245 1.00 0.00 C ATOM 437 C ARG A 31 -4.156 -2.877 -1.470 1.00 0.00 C ATOM 438 O ARG A 31 -4.019 -2.372 -0.357 1.00 0.00 O ATOM 439 CB ARG A 31 -6.046 -1.449 -2.422 1.00 0.00 C ATOM 440 CG ARG A 31 -5.088 -0.280 -2.744 1.00 0.00 C ATOM 441 CD ARG A 31 -4.116 -0.512 -3.916 1.00 0.00 C ATOM 442 NE ARG A 31 -4.704 -0.287 -5.248 1.00 0.00 N ATOM 443 CZ ARG A 31 -3.960 -0.245 -6.363 1.00 0.00 C ATOM 444 NH1 ARG A 31 -2.643 -0.415 -6.359 1.00 0.00 N ATOM 445 NH2 ARG A 31 -4.560 -0.021 -7.517 1.00 0.00 N ATOM 0 H ARG A 31 -6.539 -3.150 -0.482 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.429 -3.234 -3.268 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.788 -1.491 -3.219 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.577 -1.192 -1.505 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.686 0.605 -2.962 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.504 -0.058 -1.851 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.257 0.148 -3.795 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.742 -1.535 -3.865 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.713 -0.159 -5.325 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.154 -0.587 -5.481 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.121 -0.374 -7.234 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.570 0.116 -7.548 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.013 0.015 -8.377 1.00 0.00 H new ATOM 458 N LYS A 32 -3.154 -3.345 -2.171 1.00 0.00 N ATOM 459 CA LYS A 32 -1.777 -3.432 -1.651 1.00 0.00 C ATOM 460 C LYS A 32 -1.278 -2.123 -2.261 1.00 0.00 C ATOM 461 O LYS A 32 -1.431 -1.806 -3.444 1.00 0.00 O ATOM 462 CB LYS A 32 -1.061 -4.733 -2.030 1.00 0.00 C ATOM 463 CG LYS A 32 -1.806 -5.925 -1.399 1.00 0.00 C ATOM 464 CD LYS A 32 -1.613 -7.234 -2.166 1.00 0.00 C ATOM 465 CE LYS A 32 -2.571 -7.427 -3.352 1.00 0.00 C ATOM 466 NZ LYS A 32 -3.963 -7.639 -2.913 1.00 0.00 N ATOM 0 H LYS A 32 -3.253 -3.684 -3.128 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.626 -3.504 -0.574 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.029 -4.842 -3.114 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.029 -4.709 -1.681 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.461 -6.059 -0.374 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.870 -5.694 -1.350 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.588 -7.277 -2.533 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.739 -8.067 -1.475 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.525 -6.552 -4.000 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.245 -8.281 -3.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.535 -7.964 -3.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.984 -8.357 -2.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.352 -6.746 -2.550 1.00 0.00 H new ATOM 479 N CYS A 33 -0.645 -1.399 -1.357 1.00 0.00 N ATOM 480 CA CYS A 33 -0.407 0.033 -1.476 1.00 0.00 C ATOM 481 C CYS A 33 -0.161 0.622 -2.856 1.00 0.00 C ATOM 482 O CYS A 33 0.407 0.044 -3.785 1.00 0.00 O ATOM 483 CB CYS A 33 0.767 0.446 -0.533 1.00 0.00 C ATOM 484 SG CYS A 33 0.294 0.463 1.227 1.00 0.00 S ATOM 0 H CYS A 33 -0.271 -1.798 -0.496 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.369 0.458 -1.191 1.00 0.00 H new ATOM 0 HB2 CYS A 33 1.599 -0.244 -0.673 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.123 1.436 -0.817 1.00 0.00 H new ATOM 489 N HIS A 34 -0.550 1.898 -2.857 1.00 0.00 N ATOM 490 CA HIS A 34 -0.267 2.799 -3.986 1.00 0.00 C ATOM 491 C HIS A 34 0.979 3.315 -3.242 1.00 0.00 C ATOM 492 O HIS A 34 0.933 4.257 -2.461 1.00 0.00 O ATOM 493 CB HIS A 34 -1.328 3.906 -4.198 1.00 0.00 C ATOM 494 CG HIS A 34 -2.725 3.446 -4.621 1.00 0.00 C ATOM 495 ND1 HIS A 34 -3.665 2.925 -3.739 1.00 0.00 N ATOM 496 CD2 HIS A 34 -3.307 3.658 -5.883 1.00 0.00 C ATOM 497 CE1 HIS A 34 -4.755 2.861 -4.570 1.00 0.00 C ATOM 498 NE2 HIS A 34 -4.638 3.275 -5.870 1.00 0.00 N ATOM 0 H HIS A 34 -1.062 2.335 -2.091 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.204 2.401 -4.999 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.422 4.470 -3.270 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.953 4.596 -4.954 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.571 2.665 -2.757 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.790 4.062 -6.741 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.699 2.487 -4.201 1.00 0.00 H new ATOM 506 N CYS A 35 2.089 2.598 -3.456 1.00 0.00 N ATOM 507 CA CYS A 35 3.299 2.760 -2.646 1.00 0.00 C ATOM 508 C CYS A 35 4.170 3.821 -3.326 1.00 0.00 C ATOM 509 O CYS A 35 5.029 3.554 -4.165 1.00 0.00 O ATOM 510 CB CYS A 35 3.818 1.297 -2.476 1.00 0.00 C ATOM 511 SG CYS A 35 3.489 0.272 -3.950 1.00 0.00 S ATOM 0 H CYS A 35 2.172 1.895 -4.190 1.00 0.00 H new ATOM 0 HA CYS A 35 3.214 3.163 -1.637 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.890 1.314 -2.280 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.342 0.843 -1.607 1.00 0.00 H new ATOM 516 N THR A 36 3.803 5.072 -2.990 1.00 0.00 N ATOM 517 CA THR A 36 4.441 6.265 -3.579 1.00 0.00 C ATOM 518 C THR A 36 4.583 7.228 -2.384 1.00 0.00 C ATOM 519 O THR A 36 3.755 8.132 -2.237 1.00 0.00 O ATOM 520 CB THR A 36 3.599 6.846 -4.745 1.00 0.00 C ATOM 521 OG1 THR A 36 2.282 7.161 -4.308 1.00 0.00 O ATOM 522 CG2 THR A 36 3.476 5.882 -5.931 1.00 0.00 C ATOM 0 H THR A 36 3.069 5.283 -2.314 1.00 0.00 H new ATOM 0 HA THR A 36 5.406 6.056 -4.041 1.00 0.00 H new ATOM 0 HB THR A 36 4.129 7.741 -5.072 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.327 7.649 -3.460 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.876 6.344 -6.715 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.469 5.655 -6.320 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.996 4.960 -5.602 1.00 0.00 H new ATOM 530 N PRO A 37 5.583 7.084 -1.498 1.00 0.00 N ATOM 531 CA PRO A 37 5.693 7.936 -0.302 1.00 0.00 C ATOM 532 C PRO A 37 5.931 9.434 -0.584 1.00 0.00 C ATOM 533 O PRO A 37 6.753 9.818 -1.415 1.00 0.00 O ATOM 534 CB PRO A 37 6.881 7.281 0.398 1.00 0.00 C ATOM 535 CG PRO A 37 6.942 5.846 -0.095 1.00 0.00 C ATOM 536 CD PRO A 37 6.571 5.995 -1.560 1.00 0.00 C ATOM 0 HA PRO A 37 4.769 7.975 0.276 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.806 7.809 0.166 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.758 7.313 1.481 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.934 5.414 0.032 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.243 5.202 0.439 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.431 6.255 -2.177 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.148 5.079 -1.972 1.00 0.00 H new