USER MOD reduce.3.24.130724 H: found=0, std=0, add=314, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 308 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 140 GLN :FLIP amide:sc= -2.58 X(o=-4.4!,f=-4) USER MOD Set 1.2: A 141 GLN :FLIP amide:sc= -1.4 F(o=-5.1,f=-4) USER MOD Set 2.1: A 108 CYS SG : rot 130:sc= 1.7 USER MOD Set 2.2: A 111 CYS SG : rot -17:sc= 2.29 USER MOD Set 2.3: A 113 THR OG1 : rot 108:sc= 1.42 USER MOD Set 2.4: A 134 CYS SG : rot 180:sc= 1.1 USER MOD Set 2.5: A 137 CYS SG : rot 92:sc= 0.0572 USER MOD Set 3.1: A 92 CYS SG : rot 138:sc= 1.5 USER MOD Set 3.2: A 95 CYS SG : rot 71:sc= 0.503 USER MOD Set 3.3: A 116 CYS SG : rot 180:sc= 0.752 USER MOD Set 3.4: A 119 CYS SG : rot 94:sc= -3.28 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -0.941 K(o=-0.94,f=-1.6) USER MOD Single : A 97 LYS NZ :NH3+ 165:sc= -0.0576 (180deg=-0.338) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 164:sc= -0.0558 (180deg=-0.361) USER MOD Single : A 106 HIS :FLIP no HE2:sc= -4.72 F(o=-6.3!,f=-4.7) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.517 F(o=-2.6,f=-0.52) USER MOD Single : A 109 SER OG : rot -171:sc= 1.19 USER MOD Single : A 110 TYR OH : rot 180:sc= -0.448 USER MOD Single : A 112 GLN : amide:sc= -0.135 K(o=-0.14,f=-0.87) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 ASN : amide:sc= -3.88 K(o=-3.9,f=-15!) USER MOD Single : A 139 LYS NZ :NH3+ 170:sc= -0.0109 (180deg=-0.117) USER MOD ----------------------------------------------------------------- ATOM 101 N PRO A 90 -11.833 1.547 0.707 1.00 0.00 N ATOM 102 CA PRO A 90 -10.498 1.097 0.336 1.00 0.00 C ATOM 103 C PRO A 90 -10.294 -0.368 0.694 1.00 0.00 C ATOM 104 O PRO A 90 -10.764 -0.823 1.733 1.00 0.00 O ATOM 105 CB PRO A 90 -9.570 2.000 1.166 1.00 0.00 C ATOM 106 CG PRO A 90 -10.460 2.817 2.058 1.00 0.00 C ATOM 107 CD PRO A 90 -11.820 2.176 2.025 1.00 0.00 C ATOM 0 HA PRO A 90 -10.312 1.166 -0.736 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.872 1.404 1.754 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -8.973 2.643 0.519 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.069 2.841 3.075 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.511 3.849 1.711 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.946 1.447 2.825 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.619 2.910 2.134 1.00 0.00 H new ATOM 115 N THR A 91 -9.596 -1.106 -0.163 1.00 0.00 N ATOM 116 CA THR A 91 -9.369 -2.527 0.081 1.00 0.00 C ATOM 117 C THR A 91 -7.954 -2.965 -0.278 1.00 0.00 C ATOM 118 O THR A 91 -7.303 -2.381 -1.144 1.00 0.00 O ATOM 119 CB THR A 91 -10.368 -3.392 -0.707 1.00 0.00 C ATOM 120 OG1 THR A 91 -10.557 -2.853 -2.021 1.00 0.00 O ATOM 121 CG2 THR A 91 -11.703 -3.470 0.016 1.00 0.00 C ATOM 0 H THR A 91 -9.181 -0.749 -1.024 1.00 0.00 H new ATOM 0 HA THR A 91 -9.514 -2.672 1.152 1.00 0.00 H new ATOM 0 HB THR A 91 -9.958 -4.399 -0.787 1.00 0.00 H new ATOM 0 HG1 THR A 91 -11.193 -3.411 -2.515 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.393 -4.087 -0.560 1.00 0.00 H new ATOM 0 HG22 THR A 91 -11.558 -3.912 1.002 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.117 -2.468 0.125 1.00 0.00 H new ATOM 129 N CYS A 92 -7.494 -4.009 0.405 1.00 0.00 N ATOM 130 CA CYS A 92 -6.170 -4.571 0.175 1.00 0.00 C ATOM 131 C CYS A 92 -6.147 -5.362 -1.131 1.00 0.00 C ATOM 132 O CYS A 92 -7.054 -6.149 -1.400 1.00 0.00 O ATOM 133 CB CYS A 92 -5.792 -5.493 1.342 1.00 0.00 C ATOM 134 SG CYS A 92 -4.084 -6.093 1.307 1.00 0.00 S ATOM 0 H CYS A 92 -8.028 -4.487 1.131 1.00 0.00 H new ATOM 0 HA CYS A 92 -5.450 -3.756 0.105 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -5.956 -4.959 2.278 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.464 -6.351 1.342 1.00 0.00 H new ATOM 0 HG CYS A 92 -3.581 -6.039 2.504 1.00 0.00 H new ATOM 139 N GLY A 93 -5.111 -5.156 -1.940 1.00 0.00 N ATOM 140 CA GLY A 93 -5.001 -5.878 -3.196 1.00 0.00 C ATOM 141 C GLY A 93 -4.413 -7.271 -3.021 1.00 0.00 C ATOM 142 O GLY A 93 -4.108 -7.949 -4.002 1.00 0.00 O ATOM 0 H GLY A 93 -4.349 -4.505 -1.750 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.988 -5.959 -3.652 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.377 -5.308 -3.885 1.00 0.00 H new ATOM 146 N ILE A 94 -4.254 -7.695 -1.770 1.00 0.00 N ATOM 147 CA ILE A 94 -3.700 -9.001 -1.457 1.00 0.00 C ATOM 148 C ILE A 94 -4.729 -9.864 -0.728 1.00 0.00 C ATOM 149 O ILE A 94 -5.050 -10.970 -1.164 1.00 0.00 O ATOM 150 CB ILE A 94 -2.439 -8.854 -0.579 1.00 0.00 C ATOM 151 CG1 ILE A 94 -1.342 -8.127 -1.348 1.00 0.00 C ATOM 152 CG2 ILE A 94 -1.940 -10.210 -0.104 1.00 0.00 C ATOM 153 CD1 ILE A 94 -1.509 -6.623 -1.374 1.00 0.00 C ATOM 0 H ILE A 94 -4.506 -7.142 -0.950 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.431 -9.486 -2.395 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.705 -8.266 0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.377 -8.369 -0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.322 -8.499 -2.372 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.051 -10.075 0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.718 -10.699 0.483 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.693 -10.829 -0.966 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.691 -6.176 -1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.458 -6.370 -1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.499 -6.238 -0.354 1.00 0.00 H new ATOM 165 N CYS A 95 -5.237 -9.347 0.385 1.00 0.00 N ATOM 166 CA CYS A 95 -6.226 -10.060 1.184 1.00 0.00 C ATOM 167 C CYS A 95 -7.630 -9.819 0.642 1.00 0.00 C ATOM 168 O CYS A 95 -8.532 -10.634 0.834 1.00 0.00 O ATOM 169 CB CYS A 95 -6.162 -9.601 2.643 1.00 0.00 C ATOM 170 SG CYS A 95 -4.483 -9.215 3.234 1.00 0.00 S ATOM 0 H CYS A 95 -4.979 -8.432 0.756 1.00 0.00 H new ATOM 0 HA CYS A 95 -6.000 -11.125 1.129 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.788 -8.717 2.761 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -6.587 -10.380 3.276 1.00 0.00 H new ATOM 0 HG CYS A 95 -4.065 -8.121 2.669 1.00 0.00 H new ATOM 175 N HIS A 96 -7.801 -8.690 -0.038 1.00 0.00 N ATOM 176 CA HIS A 96 -9.092 -8.327 -0.610 1.00 0.00 C ATOM 177 C HIS A 96 -10.151 -8.168 0.479 1.00 0.00 C ATOM 178 O HIS A 96 -11.349 -8.196 0.196 1.00 0.00 O ATOM 179 CB HIS A 96 -9.535 -9.386 -1.621 1.00 0.00 C ATOM 180 CG HIS A 96 -10.786 -9.024 -2.358 1.00 0.00 C ATOM 181 ND1 HIS A 96 -12.021 -9.552 -2.048 1.00 0.00 N ATOM 182 CD2 HIS A 96 -10.990 -8.183 -3.400 1.00 0.00 C ATOM 183 CE1 HIS A 96 -12.930 -9.053 -2.867 1.00 0.00 C ATOM 184 NE2 HIS A 96 -12.329 -8.219 -3.696 1.00 0.00 N ATOM 0 H HIS A 96 -7.060 -8.010 -0.206 1.00 0.00 H new ATOM 0 HA HIS A 96 -8.980 -7.369 -1.118 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -8.733 -9.547 -2.341 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -9.690 -10.331 -1.100 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -10.238 -7.594 -3.904 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -13.984 -9.287 -2.860 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -12.786 -7.688 -4.437 1.00 0.00 H new ATOM 193 N LYS A 97 -9.706 -7.994 1.722 1.00 0.00 N ATOM 194 CA LYS A 97 -10.624 -7.837 2.846 1.00 0.00 C ATOM 195 C LYS A 97 -10.214 -6.658 3.718 1.00 0.00 C ATOM 196 O LYS A 97 -11.054 -5.862 4.140 1.00 0.00 O ATOM 197 CB LYS A 97 -10.667 -9.114 3.689 1.00 0.00 C ATOM 198 CG LYS A 97 -11.707 -9.074 4.795 1.00 0.00 C ATOM 199 CD LYS A 97 -11.664 -10.329 5.651 1.00 0.00 C ATOM 200 CE LYS A 97 -10.333 -10.467 6.373 1.00 0.00 C ATOM 201 NZ LYS A 97 -10.037 -9.280 7.221 1.00 0.00 N ATOM 0 H LYS A 97 -8.718 -7.958 1.975 1.00 0.00 H new ATOM 0 HA LYS A 97 -11.618 -7.646 2.442 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.873 -9.963 3.038 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.685 -9.282 4.130 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.538 -8.199 5.423 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.700 -8.965 4.358 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.473 -10.301 6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -11.831 -11.204 5.023 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.348 -11.363 6.994 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.535 -10.599 5.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -9.268 -9.509 7.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.748 -8.485 6.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.888 -9.016 7.757 1.00 0.00 H new ATOM 215 N THR A 98 -8.917 -6.550 3.986 1.00 0.00 N ATOM 216 CA THR A 98 -8.395 -5.469 4.804 1.00 0.00 C ATOM 217 C THR A 98 -8.657 -4.125 4.137 1.00 0.00 C ATOM 218 O THR A 98 -8.035 -3.789 3.129 1.00 0.00 O ATOM 219 CB THR A 98 -6.882 -5.638 5.051 1.00 0.00 C ATOM 220 OG1 THR A 98 -6.639 -6.842 5.790 1.00 0.00 O ATOM 221 CG2 THR A 98 -6.309 -4.451 5.811 1.00 0.00 C ATOM 0 H THR A 98 -8.209 -7.201 3.646 1.00 0.00 H new ATOM 0 HA THR A 98 -8.909 -5.502 5.765 1.00 0.00 H new ATOM 0 HB THR A 98 -6.388 -5.695 4.081 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.676 -6.944 5.942 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.241 -4.601 5.969 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.466 -3.540 5.234 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.809 -4.361 6.775 1.00 0.00 H new ATOM 229 N LYS A 99 -9.582 -3.360 4.706 1.00 0.00 N ATOM 230 CA LYS A 99 -9.929 -2.061 4.158 1.00 0.00 C ATOM 231 C LYS A 99 -9.133 -0.955 4.836 1.00 0.00 C ATOM 232 O LYS A 99 -9.029 -0.908 6.062 1.00 0.00 O ATOM 233 CB LYS A 99 -11.427 -1.804 4.318 1.00 0.00 C ATOM 234 CG LYS A 99 -12.292 -2.973 3.872 1.00 0.00 C ATOM 235 CD LYS A 99 -13.772 -2.653 4.001 1.00 0.00 C ATOM 236 CE LYS A 99 -14.634 -3.847 3.626 1.00 0.00 C ATOM 237 NZ LYS A 99 -14.359 -5.025 4.495 1.00 0.00 N ATOM 0 H LYS A 99 -10.102 -3.619 5.544 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.679 -2.061 3.097 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.640 -1.582 5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.700 -0.919 3.742 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.062 -3.223 2.836 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.055 -3.852 4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.992 -2.351 5.025 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.020 -1.808 3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -15.686 -3.575 3.706 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.452 -4.113 2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.131 -5.715 4.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.462 -5.467 4.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.291 -4.717 5.486 1.00 0.00 H new ATOM 251 N PHE A 100 -8.573 -0.067 4.026 1.00 0.00 N ATOM 252 CA PHE A 100 -7.779 1.042 4.540 1.00 0.00 C ATOM 253 C PHE A 100 -8.661 2.083 5.219 1.00 0.00 C ATOM 254 O PHE A 100 -8.694 3.242 4.804 1.00 0.00 O ATOM 255 CB PHE A 100 -6.999 1.708 3.407 1.00 0.00 C ATOM 256 CG PHE A 100 -6.412 0.745 2.415 1.00 0.00 C ATOM 257 CD1 PHE A 100 -5.658 -0.339 2.834 1.00 0.00 C ATOM 258 CD2 PHE A 100 -6.605 0.938 1.056 1.00 0.00 C ATOM 259 CE1 PHE A 100 -5.108 -1.214 1.915 1.00 0.00 C ATOM 260 CE2 PHE A 100 -6.060 0.066 0.134 1.00 0.00 C ATOM 261 CZ PHE A 100 -5.310 -1.010 0.563 1.00 0.00 C ATOM 0 H PHE A 100 -8.654 -0.093 3.010 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.084 0.636 5.275 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.661 2.396 2.881 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.195 2.305 3.837 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.498 -0.503 3.889 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.188 1.780 0.714 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.522 -2.055 2.253 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -6.221 0.226 -0.922 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.881 -1.692 -0.157 1.00 0.00 H new ATOM 311 N GLY A 105 -4.996 3.417 2.255 1.00 0.00 N ATOM 312 CA GLY A 105 -3.960 2.661 2.937 1.00 0.00 C ATOM 313 C GLY A 105 -2.583 2.870 2.340 1.00 0.00 C ATOM 314 O GLY A 105 -2.200 3.994 2.018 1.00 0.00 O ATOM 0 HA2 GLY A 105 -3.941 2.948 3.988 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.208 1.600 2.900 1.00 0.00 H new ATOM 318 N HIS A 106 -1.840 1.779 2.192 1.00 0.00 N ATOM 319 CA HIS A 106 -0.493 1.838 1.638 1.00 0.00 C ATOM 320 C HIS A 106 -0.495 1.439 0.167 1.00 0.00 C ATOM 321 O HIS A 106 -1.081 0.424 -0.209 1.00 0.00 O ATOM 322 CB HIS A 106 0.444 0.923 2.427 1.00 0.00 C ATOM 323 CG HIS A 106 0.481 1.231 3.892 1.00 0.00 C ATOM 324 ND1 HIS A 106 0.946 2.314 4.557 1.00 0.00 N flip ATOM 325 CD2 HIS A 106 0.001 0.368 4.856 1.00 0.00 C flip ATOM 326 CE1 HIS A 106 0.741 2.088 5.896 1.00 0.00 C flip ATOM 327 NE2 HIS A 106 0.169 0.909 6.049 1.00 0.00 N flip ATOM 0 H HIS A 106 -2.149 0.841 2.449 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.137 2.865 1.717 1.00 0.00 H new ATOM 0 HB2 HIS A 106 0.131 -0.112 2.289 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.451 1.008 2.020 1.00 0.00 H new ATOM 0 HD1 HIS A 106 1.370 3.143 4.141 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -0.442 -0.598 4.665 1.00 0.00 H new ATOM 0 HE1 HIS A 106 1.005 2.766 6.694 1.00 0.00 H new ATOM 336 N ASN A 107 0.167 2.239 -0.661 1.00 0.00 N ATOM 337 CA ASN A 107 0.236 1.965 -2.089 1.00 0.00 C ATOM 338 C ASN A 107 1.675 1.706 -2.519 1.00 0.00 C ATOM 339 O ASN A 107 2.570 2.511 -2.262 1.00 0.00 O ATOM 340 CB ASN A 107 -0.357 3.131 -2.882 1.00 0.00 C ATOM 341 CG ASN A 107 -1.738 3.539 -2.391 1.00 0.00 C ATOM 342 OD1 ASN A 107 -2.527 2.572 -1.924 1.00 0.00 O flip ATOM 343 ND2 ASN A 107 -2.097 4.716 -2.436 1.00 0.00 N flip ATOM 0 H ASN A 107 0.662 3.081 -0.367 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.349 1.069 -2.296 1.00 0.00 H new ATOM 0 HB2 ASN A 107 0.314 3.987 -2.816 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -0.418 2.854 -3.934 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.465 5.429 -2.800 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -3.027 4.978 -2.109 1.00 0.00 H new ATOM 350 N CYS A 108 1.882 0.573 -3.179 1.00 0.00 N ATOM 351 CA CYS A 108 3.203 0.175 -3.646 1.00 0.00 C ATOM 352 C CYS A 108 3.847 1.256 -4.506 1.00 0.00 C ATOM 353 O CYS A 108 3.268 1.714 -5.487 1.00 0.00 O ATOM 354 CB CYS A 108 3.096 -1.120 -4.444 1.00 0.00 C ATOM 355 SG CYS A 108 4.683 -1.869 -4.862 1.00 0.00 S ATOM 0 H CYS A 108 1.143 -0.092 -3.404 1.00 0.00 H new ATOM 0 HA CYS A 108 3.835 0.023 -2.771 1.00 0.00 H new ATOM 0 HB2 CYS A 108 2.508 -1.838 -3.872 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.548 -0.921 -5.365 1.00 0.00 H new ATOM 0 HG CYS A 108 4.671 -3.125 -4.528 1.00 0.00 H new ATOM 360 N SER A 109 5.056 1.654 -4.128 1.00 0.00 N ATOM 361 CA SER A 109 5.793 2.679 -4.859 1.00 0.00 C ATOM 362 C SER A 109 6.127 2.228 -6.282 1.00 0.00 C ATOM 363 O SER A 109 6.535 3.039 -7.113 1.00 0.00 O ATOM 364 CB SER A 109 7.081 3.034 -4.116 1.00 0.00 C ATOM 365 OG SER A 109 7.759 4.103 -4.753 1.00 0.00 O ATOM 0 H SER A 109 5.549 1.281 -3.316 1.00 0.00 H new ATOM 0 HA SER A 109 5.154 3.559 -4.924 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.847 3.309 -3.087 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.732 2.161 -4.072 1.00 0.00 H new ATOM 0 HG SER A 109 8.646 4.213 -4.352 1.00 0.00 H new ATOM 371 N TYR A 110 5.960 0.935 -6.560 1.00 0.00 N ATOM 372 CA TYR A 110 6.273 0.401 -7.881 1.00 0.00 C ATOM 373 C TYR A 110 5.015 0.117 -8.705 1.00 0.00 C ATOM 374 O TYR A 110 4.599 0.948 -9.514 1.00 0.00 O ATOM 375 CB TYR A 110 7.112 -0.873 -7.751 1.00 0.00 C ATOM 376 CG TYR A 110 8.473 -0.639 -7.131 1.00 0.00 C ATOM 377 CD1 TYR A 110 8.637 -0.633 -5.751 1.00 0.00 C ATOM 378 CD2 TYR A 110 9.592 -0.422 -7.925 1.00 0.00 C ATOM 379 CE1 TYR A 110 9.878 -0.418 -5.181 1.00 0.00 C ATOM 380 CE2 TYR A 110 10.836 -0.206 -7.362 1.00 0.00 C ATOM 381 CZ TYR A 110 10.972 -0.204 -5.990 1.00 0.00 C ATOM 382 OH TYR A 110 12.209 0.012 -5.426 1.00 0.00 O ATOM 0 H TYR A 110 5.613 0.245 -5.894 1.00 0.00 H new ATOM 0 HA TYR A 110 6.845 1.164 -8.410 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.566 -1.598 -7.147 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.243 -1.315 -8.739 1.00 0.00 H new ATOM 0 HD1 TYR A 110 7.781 -0.799 -5.114 1.00 0.00 H new ATOM 0 HD2 TYR A 110 9.488 -0.422 -9.000 1.00 0.00 H new ATOM 0 HE1 TYR A 110 9.989 -0.418 -4.107 1.00 0.00 H new ATOM 0 HE2 TYR A 110 11.696 -0.040 -7.993 1.00 0.00 H new ATOM 0 HH TYR A 110 12.873 0.144 -6.135 1.00 0.00 H new ATOM 392 N CYS A 111 4.411 -1.055 -8.503 1.00 0.00 N ATOM 393 CA CYS A 111 3.215 -1.432 -9.258 1.00 0.00 C ATOM 394 C CYS A 111 1.985 -0.617 -8.842 1.00 0.00 C ATOM 395 O CYS A 111 0.918 -0.752 -9.440 1.00 0.00 O ATOM 396 CB CYS A 111 2.935 -2.934 -9.123 1.00 0.00 C ATOM 397 SG CYS A 111 3.032 -3.581 -7.422 1.00 0.00 S ATOM 0 H CYS A 111 4.726 -1.754 -7.830 1.00 0.00 H new ATOM 0 HA CYS A 111 3.416 -1.205 -10.305 1.00 0.00 H new ATOM 0 HB2 CYS A 111 1.941 -3.141 -9.519 1.00 0.00 H new ATOM 0 HB3 CYS A 111 3.645 -3.479 -9.745 1.00 0.00 H new ATOM 0 HG CYS A 111 3.664 -2.730 -6.669 1.00 0.00 H new ATOM 402 N GLN A 112 2.134 0.227 -7.821 1.00 0.00 N ATOM 403 CA GLN A 112 1.035 1.071 -7.359 1.00 0.00 C ATOM 404 C GLN A 112 -0.098 0.258 -6.734 1.00 0.00 C ATOM 405 O GLN A 112 -1.173 0.794 -6.463 1.00 0.00 O ATOM 406 CB GLN A 112 0.495 1.908 -8.519 1.00 0.00 C ATOM 407 CG GLN A 112 1.563 2.741 -9.212 1.00 0.00 C ATOM 408 CD GLN A 112 2.318 3.638 -8.250 1.00 0.00 C ATOM 409 OE1 GLN A 112 1.772 4.090 -7.244 1.00 0.00 O ATOM 410 NE2 GLN A 112 3.584 3.896 -8.553 1.00 0.00 N ATOM 0 H GLN A 112 3.003 0.343 -7.300 1.00 0.00 H new ATOM 0 HA GLN A 112 1.433 1.726 -6.584 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.030 1.246 -9.250 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.287 2.570 -8.146 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.268 2.077 -9.713 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.097 3.353 -9.984 1.00 0.00 H new ATOM 0 HE21 GLN A 112 3.997 3.500 -9.398 1.00 0.00 H new ATOM 0 HE22 GLN A 112 4.144 4.490 -7.941 1.00 0.00 H new ATOM 419 N THR A 113 0.137 -1.031 -6.503 1.00 0.00 N ATOM 420 CA THR A 113 -0.877 -1.885 -5.904 1.00 0.00 C ATOM 421 C THR A 113 -1.186 -1.445 -4.477 1.00 0.00 C ATOM 422 O THR A 113 -0.277 -1.183 -3.689 1.00 0.00 O ATOM 423 CB THR A 113 -0.441 -3.362 -5.889 1.00 0.00 C ATOM 424 OG1 THR A 113 -0.097 -3.785 -7.215 1.00 0.00 O ATOM 425 CG2 THR A 113 -1.553 -4.249 -5.344 1.00 0.00 C ATOM 0 H THR A 113 1.015 -1.502 -6.721 1.00 0.00 H new ATOM 0 HA THR A 113 -1.772 -1.789 -6.519 1.00 0.00 H new ATOM 0 HB THR A 113 0.430 -3.454 -5.240 1.00 0.00 H new ATOM 0 HG1 THR A 113 0.875 -3.891 -7.283 1.00 0.00 H new ATOM 0 HG21 THR A 113 -1.222 -5.288 -5.343 1.00 0.00 H new ATOM 0 HG22 THR A 113 -1.796 -3.944 -4.326 1.00 0.00 H new ATOM 0 HG23 THR A 113 -2.438 -4.151 -5.973 1.00 0.00 H new ATOM 433 N LYS A 114 -2.472 -1.363 -4.150 1.00 0.00 N ATOM 434 CA LYS A 114 -2.893 -0.954 -2.814 1.00 0.00 C ATOM 435 C LYS A 114 -2.864 -2.140 -1.859 1.00 0.00 C ATOM 436 O LYS A 114 -3.583 -3.121 -2.047 1.00 0.00 O ATOM 437 CB LYS A 114 -4.297 -0.349 -2.861 1.00 0.00 C ATOM 438 CG LYS A 114 -4.440 0.778 -3.872 1.00 0.00 C ATOM 439 CD LYS A 114 -5.838 1.373 -3.853 1.00 0.00 C ATOM 440 CE LYS A 114 -5.991 2.471 -4.894 1.00 0.00 C ATOM 441 NZ LYS A 114 -7.340 3.099 -4.848 1.00 0.00 N ATOM 0 H LYS A 114 -3.238 -1.574 -4.789 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.197 -0.198 -2.450 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.014 -1.134 -3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.555 0.027 -1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.709 1.557 -3.655 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -4.218 0.402 -4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.571 0.588 -4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.049 1.777 -2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.230 3.234 -4.731 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.818 2.056 -5.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.402 3.842 -5.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.066 2.376 -5.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.496 3.518 -3.909 1.00 0.00 H new ATOM 455 N PHE A 115 -2.029 -2.041 -0.830 1.00 0.00 N ATOM 456 CA PHE A 115 -1.892 -3.111 0.150 1.00 0.00 C ATOM 457 C PHE A 115 -2.052 -2.589 1.575 1.00 0.00 C ATOM 458 O PHE A 115 -1.964 -1.387 1.824 1.00 0.00 O ATOM 459 CB PHE A 115 -0.535 -3.793 -0.006 1.00 0.00 C ATOM 460 CG PHE A 115 0.623 -2.839 0.011 1.00 0.00 C ATOM 461 CD1 PHE A 115 0.958 -2.155 1.168 1.00 0.00 C ATOM 462 CD2 PHE A 115 1.379 -2.635 -1.129 1.00 0.00 C ATOM 463 CE1 PHE A 115 2.029 -1.283 1.186 1.00 0.00 C ATOM 464 CE2 PHE A 115 2.451 -1.763 -1.118 1.00 0.00 C ATOM 465 CZ PHE A 115 2.776 -1.088 0.040 1.00 0.00 C ATOM 0 H PHE A 115 -1.437 -1.230 -0.653 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.686 -3.835 -0.033 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.408 -4.519 0.797 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.523 -4.349 -0.943 1.00 0.00 H new ATOM 0 HD1 PHE A 115 0.376 -2.305 2.065 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.129 -3.163 -2.037 1.00 0.00 H new ATOM 0 HE1 PHE A 115 2.282 -0.755 2.093 1.00 0.00 H new ATOM 0 HE2 PHE A 115 3.033 -1.610 -2.015 1.00 0.00 H new ATOM 0 HZ PHE A 115 3.614 -0.407 0.051 1.00 0.00 H new ATOM 475 N CYS A 116 -2.286 -3.511 2.503 1.00 0.00 N ATOM 476 CA CYS A 116 -2.468 -3.166 3.907 1.00 0.00 C ATOM 477 C CYS A 116 -1.126 -3.103 4.629 1.00 0.00 C ATOM 478 O CYS A 116 -0.093 -3.473 4.070 1.00 0.00 O ATOM 479 CB CYS A 116 -3.384 -4.185 4.589 1.00 0.00 C ATOM 480 SG CYS A 116 -2.703 -5.875 4.655 1.00 0.00 S ATOM 0 H CYS A 116 -2.354 -4.509 2.305 1.00 0.00 H new ATOM 0 HA CYS A 116 -2.933 -2.181 3.958 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -3.590 -3.849 5.605 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -4.338 -4.210 4.062 1.00 0.00 H new ATOM 0 HG CYS A 116 -3.550 -6.661 5.251 1.00 0.00 H new ATOM 485 N ALA A 117 -1.145 -2.638 5.872 1.00 0.00 N ATOM 486 CA ALA A 117 0.074 -2.529 6.665 1.00 0.00 C ATOM 487 C ALA A 117 0.790 -3.874 6.784 1.00 0.00 C ATOM 488 O ALA A 117 1.982 -3.923 7.090 1.00 0.00 O ATOM 489 CB ALA A 117 -0.248 -1.981 8.047 1.00 0.00 C ATOM 0 H ALA A 117 -1.990 -2.330 6.353 1.00 0.00 H new ATOM 0 HA ALA A 117 0.745 -1.840 6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.669 -1.904 8.631 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.701 -0.994 7.951 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.943 -2.652 8.551 1.00 0.00 H new ATOM 495 N ARG A 118 0.064 -4.961 6.538 1.00 0.00 N ATOM 496 CA ARG A 118 0.640 -6.299 6.635 1.00 0.00 C ATOM 497 C ARG A 118 1.134 -6.809 5.283 1.00 0.00 C ATOM 498 O ARG A 118 1.902 -7.769 5.222 1.00 0.00 O ATOM 499 CB ARG A 118 -0.390 -7.276 7.207 1.00 0.00 C ATOM 500 CG ARG A 118 -0.954 -6.849 8.550 1.00 0.00 C ATOM 501 CD ARG A 118 -1.942 -7.870 9.089 1.00 0.00 C ATOM 502 NE ARG A 118 -2.506 -7.461 10.371 1.00 0.00 N ATOM 503 CZ ARG A 118 -3.251 -8.254 11.134 1.00 0.00 C ATOM 504 NH1 ARG A 118 -3.513 -9.495 10.745 1.00 0.00 N ATOM 505 NH2 ARG A 118 -3.732 -7.807 12.285 1.00 0.00 N ATOM 0 H ARG A 118 -0.920 -4.942 6.271 1.00 0.00 H new ATOM 0 HA ARG A 118 1.499 -6.235 7.303 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -1.209 -7.384 6.496 1.00 0.00 H new ATOM 0 HB3 ARG A 118 0.072 -8.258 7.312 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -0.140 -6.718 9.263 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -1.447 -5.882 8.448 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -2.747 -8.012 8.368 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -1.443 -8.832 9.203 1.00 0.00 H new ATOM 0 HE ARG A 118 -2.318 -6.514 10.700 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -3.143 -9.841 9.860 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -4.085 -10.103 11.331 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -3.531 -6.853 12.586 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -4.304 -8.416 12.870 1.00 0.00 H new ATOM 519 N CYS A 119 0.698 -6.171 4.201 1.00 0.00 N ATOM 520 CA CYS A 119 1.111 -6.586 2.865 1.00 0.00 C ATOM 521 C CYS A 119 2.084 -5.586 2.252 1.00 0.00 C ATOM 522 O CYS A 119 2.149 -5.436 1.031 1.00 0.00 O ATOM 523 CB CYS A 119 -0.109 -6.754 1.963 1.00 0.00 C ATOM 524 SG CYS A 119 -1.105 -8.230 2.333 1.00 0.00 S ATOM 0 H CYS A 119 0.065 -5.372 4.222 1.00 0.00 H new ATOM 0 HA CYS A 119 1.623 -7.544 2.954 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -0.740 -5.870 2.055 1.00 0.00 H new ATOM 0 HB3 CYS A 119 0.223 -6.803 0.926 1.00 0.00 H new ATOM 0 HG CYS A 119 -2.065 -7.912 3.150 1.00 0.00 H new ATOM 529 N GLY A 120 2.843 -4.911 3.106 1.00 0.00 N ATOM 530 CA GLY A 120 3.807 -3.936 2.628 1.00 0.00 C ATOM 531 C GLY A 120 4.574 -3.268 3.753 1.00 0.00 C ATOM 532 O GLY A 120 4.166 -3.324 4.913 1.00 0.00 O ATOM 0 H GLY A 120 2.809 -5.020 4.120 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.511 -4.427 1.956 1.00 0.00 H new ATOM 0 HA3 GLY A 120 3.288 -3.174 2.046 1.00 0.00 H new ATOM 536 N GLY A 121 5.691 -2.635 3.407 1.00 0.00 N ATOM 537 CA GLY A 121 6.503 -1.958 4.404 1.00 0.00 C ATOM 538 C GLY A 121 6.767 -0.508 4.046 1.00 0.00 C ATOM 539 O GLY A 121 6.552 -0.095 2.907 1.00 0.00 O ATOM 0 H GLY A 121 6.049 -2.578 2.454 1.00 0.00 H new ATOM 0 HA2 GLY A 121 6.001 -2.005 5.371 1.00 0.00 H new ATOM 0 HA3 GLY A 121 7.453 -2.482 4.512 1.00 0.00 H new ATOM 543 N ARG A 122 7.234 0.267 5.022 1.00 0.00 N ATOM 544 CA ARG A 122 7.525 1.677 4.801 1.00 0.00 C ATOM 545 C ARG A 122 8.960 1.872 4.319 1.00 0.00 C ATOM 546 O ARG A 122 9.897 1.305 4.880 1.00 0.00 O ATOM 547 CB ARG A 122 7.295 2.473 6.086 1.00 0.00 C ATOM 548 CG ARG A 122 7.567 3.960 5.936 1.00 0.00 C ATOM 549 CD ARG A 122 7.247 4.720 7.212 1.00 0.00 C ATOM 550 NE ARG A 122 8.192 4.419 8.285 1.00 0.00 N ATOM 551 CZ ARG A 122 9.343 5.065 8.463 1.00 0.00 C ATOM 552 NH1 ARG A 122 9.712 6.024 7.624 1.00 0.00 N ATOM 553 NH2 ARG A 122 10.132 4.743 9.478 1.00 0.00 N ATOM 0 H ARG A 122 7.418 -0.059 5.971 1.00 0.00 H new ATOM 0 HA ARG A 122 6.850 2.043 4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 122 6.264 2.332 6.412 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.936 2.072 6.872 1.00 0.00 H new ATOM 0 HG2 ARG A 122 8.614 4.114 5.673 1.00 0.00 H new ATOM 0 HG3 ARG A 122 6.970 4.358 5.115 1.00 0.00 H new ATOM 0 HD2 ARG A 122 7.260 5.791 7.008 1.00 0.00 H new ATOM 0 HD3 ARG A 122 6.238 4.470 7.538 1.00 0.00 H new ATOM 0 HE ARG A 122 7.956 3.670 8.936 1.00 0.00 H new ATOM 0 HH11 ARG A 122 9.113 6.271 6.836 1.00 0.00 H new ATOM 0 HH12 ARG A 122 10.595 6.514 7.767 1.00 0.00 H new ATOM 0 HH21 ARG A 122 9.858 4.001 10.122 1.00 0.00 H new ATOM 0 HH22 ARG A 122 11.014 5.237 9.615 1.00 0.00 H new ATOM 700 N MET A 131 7.643 6.307 0.984 1.00 0.00 N ATOM 701 CA MET A 131 6.895 5.509 0.021 1.00 0.00 C ATOM 702 C MET A 131 6.729 4.083 0.514 1.00 0.00 C ATOM 703 O MET A 131 7.634 3.510 1.122 1.00 0.00 O ATOM 704 CB MET A 131 7.590 5.509 -1.337 1.00 0.00 C ATOM 705 CG MET A 131 9.000 4.944 -1.299 1.00 0.00 C ATOM 706 SD MET A 131 9.792 4.938 -2.918 1.00 0.00 S ATOM 707 CE MET A 131 11.280 4.008 -2.561 1.00 0.00 C ATOM 0 HA MET A 131 5.908 5.959 -0.089 1.00 0.00 H new ATOM 0 HB2 MET A 131 6.994 4.928 -2.041 1.00 0.00 H new ATOM 0 HB3 MET A 131 7.627 6.530 -1.717 1.00 0.00 H new ATOM 0 HG2 MET A 131 9.603 5.531 -0.606 1.00 0.00 H new ATOM 0 HG3 MET A 131 8.969 3.926 -0.911 1.00 0.00 H new ATOM 0 HE1 MET A 131 11.879 3.918 -3.467 1.00 0.00 H new ATOM 0 HE2 MET A 131 11.857 4.525 -1.795 1.00 0.00 H new ATOM 0 HE3 MET A 131 11.011 3.014 -2.203 1.00 0.00 H new ATOM 717 N TRP A 132 5.564 3.520 0.250 1.00 0.00 N ATOM 718 CA TRP A 132 5.260 2.159 0.668 1.00 0.00 C ATOM 719 C TRP A 132 5.361 1.185 -0.500 1.00 0.00 C ATOM 720 O TRP A 132 4.919 1.479 -1.609 1.00 0.00 O ATOM 721 CB TRP A 132 3.868 2.099 1.298 1.00 0.00 C ATOM 722 CG TRP A 132 3.851 2.552 2.725 1.00 0.00 C ATOM 723 CD1 TRP A 132 3.865 3.839 3.180 1.00 0.00 C ATOM 724 CD2 TRP A 132 3.822 1.715 3.885 1.00 0.00 C ATOM 725 NE1 TRP A 132 3.848 3.853 4.555 1.00 0.00 N ATOM 726 CE2 TRP A 132 3.820 2.561 5.011 1.00 0.00 C ATOM 727 CE3 TRP A 132 3.797 0.331 4.081 1.00 0.00 C ATOM 728 CZ2 TRP A 132 3.794 2.066 6.312 1.00 0.00 C ATOM 729 CZ3 TRP A 132 3.771 -0.158 5.374 1.00 0.00 C ATOM 730 CH2 TRP A 132 3.769 0.707 6.475 1.00 0.00 C ATOM 0 H TRP A 132 4.809 3.984 -0.254 1.00 0.00 H new ATOM 0 HA TRP A 132 5.998 1.861 1.413 1.00 0.00 H new ATOM 0 HB2 TRP A 132 3.186 2.720 0.717 1.00 0.00 H new ATOM 0 HB3 TRP A 132 3.494 1.077 1.243 1.00 0.00 H new ATOM 0 HD1 TRP A 132 3.886 4.717 2.552 1.00 0.00 H new ATOM 0 HE1 TRP A 132 3.855 4.689 5.140 1.00 0.00 H new ATOM 0 HE3 TRP A 132 3.798 -0.344 3.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 3.794 2.731 7.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 3.752 -1.225 5.538 1.00 0.00 H new ATOM 0 HH2 TRP A 132 3.747 0.294 7.473 1.00 0.00 H new ATOM 741 N VAL A 133 5.954 0.025 -0.238 1.00 0.00 N ATOM 742 CA VAL A 133 6.117 -1.005 -1.257 1.00 0.00 C ATOM 743 C VAL A 133 5.672 -2.363 -0.727 1.00 0.00 C ATOM 744 O VAL A 133 6.024 -2.751 0.387 1.00 0.00 O ATOM 745 CB VAL A 133 7.580 -1.102 -1.731 1.00 0.00 C ATOM 746 CG1 VAL A 133 7.732 -2.186 -2.786 1.00 0.00 C ATOM 747 CG2 VAL A 133 8.056 0.239 -2.266 1.00 0.00 C ATOM 0 H VAL A 133 6.331 -0.226 0.676 1.00 0.00 H new ATOM 0 HA VAL A 133 5.492 -0.721 -2.104 1.00 0.00 H new ATOM 0 HB VAL A 133 8.201 -1.371 -0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 133 8.772 -2.238 -3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 133 7.433 -3.147 -2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 133 7.099 -1.952 -3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 133 9.091 0.152 -2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 133 7.431 0.538 -3.107 1.00 0.00 H new ATOM 0 HG23 VAL A 133 7.988 0.990 -1.479 1.00 0.00 H new ATOM 757 N CYS A 134 4.895 -3.081 -1.531 1.00 0.00 N ATOM 758 CA CYS A 134 4.402 -4.396 -1.136 1.00 0.00 C ATOM 759 C CYS A 134 5.556 -5.352 -0.860 1.00 0.00 C ATOM 760 O CYS A 134 6.640 -5.222 -1.428 1.00 0.00 O ATOM 761 CB CYS A 134 3.481 -4.979 -2.210 1.00 0.00 C ATOM 762 SG CYS A 134 4.280 -5.257 -3.824 1.00 0.00 S ATOM 0 H CYS A 134 4.594 -2.776 -2.457 1.00 0.00 H new ATOM 0 HA CYS A 134 3.829 -4.272 -0.217 1.00 0.00 H new ATOM 0 HB2 CYS A 134 3.079 -5.926 -1.850 1.00 0.00 H new ATOM 0 HB3 CYS A 134 2.635 -4.306 -2.349 1.00 0.00 H new ATOM 0 HG CYS A 134 3.414 -5.753 -4.657 1.00 0.00 H new ATOM 767 N ASN A 135 5.303 -6.317 0.018 1.00 0.00 N ATOM 768 CA ASN A 135 6.307 -7.307 0.401 1.00 0.00 C ATOM 769 C ASN A 135 6.886 -8.037 -0.809 1.00 0.00 C ATOM 770 O ASN A 135 7.961 -8.632 -0.723 1.00 0.00 O ATOM 771 CB ASN A 135 5.701 -8.318 1.376 1.00 0.00 C ATOM 772 CG ASN A 135 4.501 -9.039 0.792 1.00 0.00 C ATOM 773 OD1 ASN A 135 4.414 -9.243 -0.419 1.00 0.00 O ATOM 774 ND2 ASN A 135 3.568 -9.427 1.653 1.00 0.00 N ATOM 0 H ASN A 135 4.403 -6.436 0.482 1.00 0.00 H new ATOM 0 HA ASN A 135 7.124 -6.772 0.885 1.00 0.00 H new ATOM 0 HB2 ASN A 135 6.460 -9.049 1.655 1.00 0.00 H new ATOM 0 HB3 ASN A 135 5.403 -7.804 2.290 1.00 0.00 H new ATOM 0 HD21 ASN A 135 2.737 -9.916 1.319 1.00 0.00 H new ATOM 0 HD22 ASN A 135 3.682 -9.237 2.649 1.00 0.00 H new ATOM 781 N LEU A 136 6.185 -7.984 -1.938 1.00 0.00 N ATOM 782 CA LEU A 136 6.644 -8.657 -3.149 1.00 0.00 C ATOM 783 C LEU A 136 7.684 -7.812 -3.872 1.00 0.00 C ATOM 784 O LEU A 136 8.649 -8.338 -4.428 1.00 0.00 O ATOM 785 CB LEU A 136 5.463 -8.933 -4.081 1.00 0.00 C ATOM 786 CG LEU A 136 4.197 -9.424 -3.383 1.00 0.00 C ATOM 787 CD1 LEU A 136 3.052 -9.537 -4.371 1.00 0.00 C ATOM 788 CD2 LEU A 136 4.450 -10.757 -2.702 1.00 0.00 C ATOM 0 H LEU A 136 5.301 -7.485 -2.040 1.00 0.00 H new ATOM 0 HA LEU A 136 7.101 -9.604 -2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.229 -8.020 -4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 136 5.766 -9.677 -4.818 1.00 0.00 H new ATOM 0 HG LEU A 136 3.919 -8.696 -2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 136 2.159 -9.888 -3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 136 2.855 -8.560 -4.813 1.00 0.00 H new ATOM 0 HD13 LEU A 136 3.318 -10.244 -5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 136 3.538 -11.093 -2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 136 4.753 -11.494 -3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 136 5.241 -10.643 -1.961 1.00 0.00 H new ATOM 800 N CYS A 137 7.481 -6.502 -3.862 1.00 0.00 N ATOM 801 CA CYS A 137 8.414 -5.585 -4.501 1.00 0.00 C ATOM 802 C CYS A 137 9.505 -5.180 -3.518 1.00 0.00 C ATOM 803 O CYS A 137 10.659 -4.985 -3.898 1.00 0.00 O ATOM 804 CB CYS A 137 7.683 -4.345 -5.021 1.00 0.00 C ATOM 805 SG CYS A 137 6.699 -4.640 -6.526 1.00 0.00 S ATOM 0 H CYS A 137 6.680 -6.051 -3.419 1.00 0.00 H new ATOM 0 HA CYS A 137 8.872 -6.093 -5.349 1.00 0.00 H new ATOM 0 HB2 CYS A 137 7.025 -3.969 -4.238 1.00 0.00 H new ATOM 0 HB3 CYS A 137 8.415 -3.564 -5.225 1.00 0.00 H new ATOM 0 HG CYS A 137 5.480 -4.948 -6.194 1.00 0.00 H new ATOM 810 N ARG A 138 9.126 -5.061 -2.249 1.00 0.00 N ATOM 811 CA ARG A 138 10.067 -4.695 -1.200 1.00 0.00 C ATOM 812 C ARG A 138 11.145 -5.763 -1.055 1.00 0.00 C ATOM 813 O ARG A 138 12.286 -5.467 -0.703 1.00 0.00 O ATOM 814 CB ARG A 138 9.334 -4.506 0.130 1.00 0.00 C ATOM 815 CG ARG A 138 10.256 -4.170 1.291 1.00 0.00 C ATOM 816 CD ARG A 138 9.486 -4.051 2.596 1.00 0.00 C ATOM 817 NE ARG A 138 10.370 -3.806 3.731 1.00 0.00 N ATOM 818 CZ ARG A 138 11.072 -4.758 4.334 1.00 0.00 C ATOM 819 NH1 ARG A 138 10.995 -6.012 3.908 1.00 0.00 N ATOM 820 NH2 ARG A 138 11.854 -4.459 5.363 1.00 0.00 N ATOM 0 H ARG A 138 8.171 -5.213 -1.924 1.00 0.00 H new ATOM 0 HA ARG A 138 10.542 -3.754 -1.477 1.00 0.00 H new ATOM 0 HB2 ARG A 138 8.598 -3.710 0.020 1.00 0.00 H new ATOM 0 HB3 ARG A 138 8.785 -5.418 0.365 1.00 0.00 H new ATOM 0 HG2 ARG A 138 11.019 -4.942 1.387 1.00 0.00 H new ATOM 0 HG3 ARG A 138 10.774 -3.233 1.086 1.00 0.00 H new ATOM 0 HD2 ARG A 138 8.763 -3.239 2.518 1.00 0.00 H new ATOM 0 HD3 ARG A 138 8.920 -4.967 2.768 1.00 0.00 H new ATOM 0 HE ARG A 138 10.453 -2.851 4.080 1.00 0.00 H new ATOM 0 HH11 ARG A 138 10.396 -6.246 3.116 1.00 0.00 H new ATOM 0 HH12 ARG A 138 11.535 -6.742 4.372 1.00 0.00 H new ATOM 0 HH21 ARG A 138 11.917 -3.496 5.693 1.00 0.00 H new ATOM 0 HH22 ARG A 138 12.392 -5.192 5.824 1.00 0.00 H new ATOM 834 N LYS A 139 10.770 -7.010 -1.332 1.00 0.00 N ATOM 835 CA LYS A 139 11.702 -8.127 -1.241 1.00 0.00 C ATOM 836 C LYS A 139 12.503 -8.252 -2.531 1.00 0.00 C ATOM 837 O LYS A 139 13.705 -8.518 -2.507 1.00 0.00 O ATOM 838 CB LYS A 139 10.951 -9.430 -0.962 1.00 0.00 C ATOM 839 CG LYS A 139 11.864 -10.624 -0.741 1.00 0.00 C ATOM 840 CD LYS A 139 12.704 -10.457 0.516 1.00 0.00 C ATOM 841 CE LYS A 139 13.575 -11.677 0.772 1.00 0.00 C ATOM 842 NZ LYS A 139 14.571 -11.889 -0.315 1.00 0.00 N ATOM 0 H LYS A 139 9.827 -7.270 -1.621 1.00 0.00 H new ATOM 0 HA LYS A 139 12.388 -7.937 -0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 139 10.323 -9.296 -0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 139 10.286 -9.642 -1.799 1.00 0.00 H new ATOM 0 HG2 LYS A 139 11.265 -11.532 -0.662 1.00 0.00 H new ATOM 0 HG3 LYS A 139 12.519 -10.748 -1.604 1.00 0.00 H new ATOM 0 HD2 LYS A 139 13.334 -9.573 0.419 1.00 0.00 H new ATOM 0 HD3 LYS A 139 12.050 -10.290 1.372 1.00 0.00 H new ATOM 0 HE2 LYS A 139 14.095 -11.558 1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 139 12.944 -12.561 0.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 15.251 -12.621 -0.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 14.081 -12.195 -1.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 15.078 -11.000 -0.500 1.00 0.00 H new ATOM 856 N GLN A 140 11.825 -8.059 -3.657 1.00 0.00 N ATOM 857 CA GLN A 140 12.470 -8.137 -4.959 1.00 0.00 C ATOM 858 C GLN A 140 13.475 -6.999 -5.110 1.00 0.00 C ATOM 859 O GLN A 140 14.528 -7.163 -5.725 1.00 0.00 O ATOM 860 CB GLN A 140 11.421 -8.069 -6.072 1.00 0.00 C ATOM 861 CG GLN A 140 11.860 -8.710 -7.381 1.00 0.00 C ATOM 862 CD GLN A 140 13.172 -8.156 -7.902 1.00 0.00 C ATOM 863 OE1 GLN A 140 14.269 -8.833 -7.584 1.00 0.00 O flip ATOM 864 NE2 GLN A 140 13.197 -7.139 -8.596 1.00 0.00 N flip ATOM 0 H GLN A 140 10.828 -7.847 -3.692 1.00 0.00 H new ATOM 0 HA GLN A 140 12.999 -9.087 -5.036 1.00 0.00 H new ATOM 0 HB2 GLN A 140 10.510 -8.559 -5.728 1.00 0.00 H new ATOM 0 HB3 GLN A 140 11.171 -7.024 -6.257 1.00 0.00 H new ATOM 0 HG2 GLN A 140 11.958 -9.786 -7.237 1.00 0.00 H new ATOM 0 HG3 GLN A 140 11.084 -8.558 -8.132 1.00 0.00 H new ATOM 0 HE21 GLN A 140 12.329 -6.650 -8.816 1.00 0.00 H new ATOM 0 HE22 GLN A 140 14.086 -6.786 -8.951 1.00 0.00 H new ATOM 873 N GLN A 141 13.145 -5.846 -4.534 1.00 0.00 N ATOM 874 CA GLN A 141 14.024 -4.682 -4.600 1.00 0.00 C ATOM 875 C GLN A 141 14.912 -4.581 -3.359 1.00 0.00 C ATOM 876 O GLN A 141 15.568 -3.561 -3.142 1.00 0.00 O ATOM 877 CB GLN A 141 13.208 -3.396 -4.754 1.00 0.00 C ATOM 878 CG GLN A 141 12.786 -3.099 -6.186 1.00 0.00 C ATOM 879 CD GLN A 141 11.604 -3.931 -6.640 1.00 0.00 C ATOM 880 OE1 GLN A 141 11.884 -5.064 -7.271 1.00 0.00 O flip ATOM 881 NE2 GLN A 141 10.450 -3.552 -6.436 1.00 0.00 N flip ATOM 0 H GLN A 141 12.279 -5.693 -4.018 1.00 0.00 H new ATOM 0 HA GLN A 141 14.664 -4.808 -5.473 1.00 0.00 H new ATOM 0 HB2 GLN A 141 12.317 -3.466 -4.131 1.00 0.00 H new ATOM 0 HB3 GLN A 141 13.795 -2.558 -4.378 1.00 0.00 H new ATOM 0 HG2 GLN A 141 12.534 -2.042 -6.273 1.00 0.00 H new ATOM 0 HG3 GLN A 141 13.629 -3.281 -6.853 1.00 0.00 H new ATOM 0 HE21 GLN A 141 10.281 -2.673 -5.946 1.00 0.00 H new ATOM 0 HE22 GLN A 141 9.664 -4.117 -6.757 1.00 0.00 H new ATOM 890 N GLU A 142 14.933 -5.636 -2.545 1.00 0.00 N ATOM 891 CA GLU A 142 15.748 -5.649 -1.334 1.00 0.00 C ATOM 892 C GLU A 142 15.287 -4.573 -0.355 1.00 0.00 C ATOM 893 O GLU A 142 14.426 -4.878 0.497 1.00 0.00 O ATOM 894 CB GLU A 142 17.221 -5.437 -1.686 1.00 0.00 C ATOM 895 CG GLU A 142 17.764 -6.460 -2.670 1.00 0.00 C ATOM 896 CD GLU A 142 19.222 -6.222 -3.013 1.00 0.00 C ATOM 897 OE1 GLU A 142 20.094 -6.729 -2.278 1.00 0.00 O ATOM 898 OE2 GLU A 142 19.490 -5.528 -4.016 1.00 0.00 O ATOM 899 OXT GLU A 142 15.792 -3.434 -0.449 1.00 0.00 O ATOM 0 H GLU A 142 14.397 -6.489 -2.703 1.00 0.00 H new ATOM 0 HA GLU A 142 15.631 -6.622 -0.857 1.00 0.00 H new ATOM 0 HB2 GLU A 142 17.346 -4.439 -2.106 1.00 0.00 H new ATOM 0 HB3 GLU A 142 17.814 -5.474 -0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 142 17.652 -7.459 -2.249 1.00 0.00 H new ATOM 0 HG3 GLU A 142 17.170 -6.431 -3.584 1.00 0.00 H new