USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 547 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 120 THR OG1 : rot 180:sc= 0.472 USER MOD Set 1.2: A 175 ASN : amide:sc= 1.12 K(o=1.6,f=0.64) USER MOD Set 2.1: A 172 HIS : no HD1:sc= 0.417 K(o=-0.81,f=-4.6!) USER MOD Set 2.2: A 181 CYS SG : rot 169:sc= -1.23 USER MOD Single : A 109 LYS NZ :NH3+ 144:sc= 0.908 (180deg=0.264) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.316 USER MOD Single : A 126 LYS NZ :NH3+ 152:sc= 0.876 (180deg=0.449) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= 0.975 K(o=0.97,f=-0.23) USER MOD Single : A 134 LYS NZ :NH3+ -154:sc= 0.847 (180deg=0.747) USER MOD Single : A 139 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 141 MET CE :methyl 156:sc= -0.0515 (180deg=-0.885) USER MOD Single : A 149 HIS : no HD1:sc= 0.823 K(o=0.82,f=-5.7!) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 SER OG : rot 180:sc= 0.00379 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 CYS SG : rot 89:sc= 0.0432 USER MOD Single : A 170 HIS : no HD1:sc= 0.886 K(o=0.89,f=-2.8!) USER MOD Single : A 176 ASN : amide:sc= 0.17 X(o=0.17,f=-0.14) USER MOD Single : A 177 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 178 MET CE :methyl 157:sc= 0 (180deg=-0.17) USER MOD Single : A 182 LYS NZ :NH3+ 173:sc= 0.707 (180deg=0.668) USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 1.04 (180deg=1.04) USER MOD ----------------------------------------------------------------- ATOM 55 N LYS A 109 -1.545 8.989 0.531 1.00 0.00 N ATOM 56 CA LYS A 109 -2.137 7.853 -0.207 1.00 0.00 C ATOM 57 C LYS A 109 -1.371 6.539 0.006 1.00 0.00 C ATOM 58 O LYS A 109 -1.097 5.816 -0.948 1.00 0.00 O ATOM 59 CB LYS A 109 -2.297 8.211 -1.697 1.00 0.00 C ATOM 60 CG LYS A 109 -3.366 9.288 -1.907 1.00 0.00 C ATOM 61 CD LYS A 109 -3.516 9.613 -3.396 1.00 0.00 C ATOM 62 CE LYS A 109 -4.516 10.741 -3.710 1.00 0.00 C ATOM 63 NZ LYS A 109 -4.186 12.038 -3.056 1.00 0.00 N ATOM 0 HA LYS A 109 -3.130 7.672 0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.344 8.562 -2.092 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.565 7.317 -2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.320 8.945 -1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -3.095 10.190 -1.358 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.540 9.890 -3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -3.830 8.711 -3.921 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -4.555 10.889 -4.789 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -5.512 10.429 -3.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -4.435 12.821 -3.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -4.724 12.127 -2.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.168 12.072 -2.847 1.00 0.00 H new ATOM 77 N LYS A 110 -0.977 6.249 1.245 1.00 0.00 N ATOM 78 CA LYS A 110 -0.033 5.181 1.610 1.00 0.00 C ATOM 79 C LYS A 110 -0.509 4.399 2.838 1.00 0.00 C ATOM 80 O LYS A 110 -0.962 4.999 3.816 1.00 0.00 O ATOM 81 CB LYS A 110 1.341 5.849 1.812 1.00 0.00 C ATOM 82 CG LYS A 110 2.521 4.892 2.047 1.00 0.00 C ATOM 83 CD LYS A 110 3.766 5.711 2.433 1.00 0.00 C ATOM 84 CE LYS A 110 4.987 4.817 2.674 1.00 0.00 C ATOM 85 NZ LYS A 110 6.114 5.583 3.267 1.00 0.00 N ATOM 0 H LYS A 110 -1.316 6.767 2.056 1.00 0.00 H new ATOM 0 HA LYS A 110 0.037 4.433 0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.560 6.458 0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.273 6.527 2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 110 2.278 4.183 2.838 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.718 4.310 1.147 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.990 6.426 1.641 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.556 6.288 3.333 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.714 3.997 3.338 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.305 4.371 1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.924 4.948 3.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.390 6.350 2.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.817 5.987 4.178 1.00 0.00 H new ATOM 99 N ILE A 111 -0.363 3.073 2.810 1.00 0.00 N ATOM 100 CA ILE A 111 -0.652 2.175 3.943 1.00 0.00 C ATOM 101 C ILE A 111 0.549 1.290 4.271 1.00 0.00 C ATOM 102 O ILE A 111 1.327 0.905 3.397 1.00 0.00 O ATOM 103 CB ILE A 111 -1.915 1.296 3.716 1.00 0.00 C ATOM 104 CG1 ILE A 111 -1.655 0.097 2.776 1.00 0.00 C ATOM 105 CG2 ILE A 111 -3.104 2.155 3.271 1.00 0.00 C ATOM 106 CD1 ILE A 111 -2.879 -0.775 2.465 1.00 0.00 C ATOM 0 H ILE A 111 -0.033 2.577 1.982 1.00 0.00 H new ATOM 0 HA ILE A 111 -0.859 2.825 4.793 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.176 0.850 4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.251 0.475 1.837 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -0.886 -0.533 3.223 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -3.976 1.519 3.118 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.326 2.896 4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -2.857 2.662 2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.588 -1.587 1.798 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.274 -1.191 3.392 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.646 -0.168 1.984 1.00 0.00 H new ATOM 118 N PHE A 112 0.654 0.954 5.552 1.00 0.00 N ATOM 119 CA PHE A 112 1.506 -0.092 6.101 1.00 0.00 C ATOM 120 C PHE A 112 0.748 -1.424 5.969 1.00 0.00 C ATOM 121 O PHE A 112 -0.474 -1.461 6.144 1.00 0.00 O ATOM 122 CB PHE A 112 1.740 0.216 7.584 1.00 0.00 C ATOM 123 CG PHE A 112 2.673 -0.752 8.280 1.00 0.00 C ATOM 124 CD1 PHE A 112 4.053 -0.517 8.235 1.00 0.00 C ATOM 125 CD2 PHE A 112 2.179 -1.878 8.969 1.00 0.00 C ATOM 126 CE1 PHE A 112 4.947 -1.400 8.855 1.00 0.00 C ATOM 127 CE2 PHE A 112 3.075 -2.760 9.600 1.00 0.00 C ATOM 128 CZ PHE A 112 4.459 -2.527 9.537 1.00 0.00 C ATOM 0 H PHE A 112 0.116 1.432 6.275 1.00 0.00 H new ATOM 0 HA PHE A 112 2.462 -0.147 5.579 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.147 1.223 7.674 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.780 0.212 8.100 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.431 0.352 7.718 1.00 0.00 H new ATOM 0 HD2 PHE A 112 1.116 -2.063 9.012 1.00 0.00 H new ATOM 0 HE1 PHE A 112 6.010 -1.214 8.809 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.698 -3.619 10.135 1.00 0.00 H new ATOM 0 HZ PHE A 112 5.146 -3.212 10.011 1.00 0.00 H new ATOM 138 N VAL A 113 1.469 -2.516 5.718 1.00 0.00 N ATOM 139 CA VAL A 113 0.956 -3.891 5.644 1.00 0.00 C ATOM 140 C VAL A 113 1.821 -4.818 6.498 1.00 0.00 C ATOM 141 O VAL A 113 2.968 -5.081 6.143 1.00 0.00 O ATOM 142 CB VAL A 113 0.857 -4.388 4.187 1.00 0.00 C ATOM 143 CG1 VAL A 113 0.122 -5.732 4.129 1.00 0.00 C ATOM 144 CG2 VAL A 113 0.124 -3.403 3.268 1.00 0.00 C ATOM 0 H VAL A 113 2.474 -2.468 5.552 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.058 -3.900 6.044 1.00 0.00 H new ATOM 0 HB VAL A 113 1.883 -4.489 3.834 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.061 -6.069 3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.666 -6.470 4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.884 -5.614 4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.086 -3.808 2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.891 -3.249 3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.655 -2.451 3.258 1.00 0.00 H new ATOM 154 N GLY A 114 1.292 -5.291 7.630 1.00 0.00 N ATOM 155 CA GLY A 114 2.029 -6.076 8.632 1.00 0.00 C ATOM 156 C GLY A 114 1.557 -7.524 8.776 1.00 0.00 C ATOM 157 O GLY A 114 0.368 -7.813 8.633 1.00 0.00 O ATOM 0 H GLY A 114 0.316 -5.137 7.884 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.087 -6.076 8.369 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.942 -5.581 9.599 1.00 0.00 H new ATOM 161 N GLY A 115 2.480 -8.435 9.095 1.00 0.00 N ATOM 162 CA GLY A 115 2.200 -9.868 9.280 1.00 0.00 C ATOM 163 C GLY A 115 2.203 -10.693 7.984 1.00 0.00 C ATOM 164 O GLY A 115 1.670 -11.804 7.963 1.00 0.00 O ATOM 0 H GLY A 115 3.462 -8.197 9.235 1.00 0.00 H new ATOM 0 HA2 GLY A 115 2.941 -10.284 9.962 1.00 0.00 H new ATOM 0 HA3 GLY A 115 1.228 -9.976 9.761 1.00 0.00 H new ATOM 168 N LEU A 116 2.787 -10.162 6.904 1.00 0.00 N ATOM 169 CA LEU A 116 2.967 -10.854 5.623 1.00 0.00 C ATOM 170 C LEU A 116 3.849 -12.104 5.777 1.00 0.00 C ATOM 171 O LEU A 116 4.827 -12.102 6.529 1.00 0.00 O ATOM 172 CB LEU A 116 3.621 -9.892 4.609 1.00 0.00 C ATOM 173 CG LEU A 116 2.656 -8.858 4.007 1.00 0.00 C ATOM 174 CD1 LEU A 116 3.432 -7.674 3.435 1.00 0.00 C ATOM 175 CD2 LEU A 116 1.863 -9.480 2.856 1.00 0.00 C ATOM 0 H LEU A 116 3.158 -9.212 6.897 1.00 0.00 H new ATOM 0 HA LEU A 116 1.986 -11.170 5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.439 -9.365 5.101 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.059 -10.477 3.800 1.00 0.00 H new ATOM 0 HG LEU A 116 1.988 -8.529 4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.734 -6.951 3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.009 -7.200 4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.108 -8.025 2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.183 -8.737 2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.551 -9.818 2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.289 -10.329 3.227 1.00 0.00 H new ATOM 187 N SER A 117 3.544 -13.156 5.014 1.00 0.00 N ATOM 188 CA SER A 117 4.440 -14.312 4.883 1.00 0.00 C ATOM 189 C SER A 117 5.697 -13.919 4.099 1.00 0.00 C ATOM 190 O SER A 117 5.609 -13.248 3.069 1.00 0.00 O ATOM 191 CB SER A 117 3.724 -15.487 4.212 1.00 0.00 C ATOM 192 OG SER A 117 4.641 -16.547 3.989 1.00 0.00 O ATOM 0 H SER A 117 2.681 -13.233 4.475 1.00 0.00 H new ATOM 0 HA SER A 117 4.739 -14.632 5.881 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.903 -15.831 4.841 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.288 -15.166 3.266 1.00 0.00 H new ATOM 0 HG SER A 117 4.177 -17.297 3.561 1.00 0.00 H new ATOM 198 N VAL A 118 6.874 -14.360 4.549 1.00 0.00 N ATOM 199 CA VAL A 118 8.167 -14.095 3.882 1.00 0.00 C ATOM 200 C VAL A 118 8.298 -14.726 2.486 1.00 0.00 C ATOM 201 O VAL A 118 9.211 -14.376 1.737 1.00 0.00 O ATOM 202 CB VAL A 118 9.355 -14.462 4.793 1.00 0.00 C ATOM 203 CG1 VAL A 118 9.221 -13.839 6.188 1.00 0.00 C ATOM 204 CG2 VAL A 118 9.518 -15.982 4.957 1.00 0.00 C ATOM 0 H VAL A 118 6.965 -14.919 5.397 1.00 0.00 H new ATOM 0 HA VAL A 118 8.191 -13.019 3.708 1.00 0.00 H new ATOM 0 HB VAL A 118 10.236 -14.058 4.295 1.00 0.00 H new ATOM 0 HG11 VAL A 118 10.079 -14.123 6.797 1.00 0.00 H new ATOM 0 HG12 VAL A 118 9.182 -12.753 6.099 1.00 0.00 H new ATOM 0 HG13 VAL A 118 8.306 -14.197 6.660 1.00 0.00 H new ATOM 0 HG21 VAL A 118 10.368 -16.189 5.607 1.00 0.00 H new ATOM 0 HG22 VAL A 118 8.613 -16.399 5.399 1.00 0.00 H new ATOM 0 HG23 VAL A 118 9.689 -16.437 3.981 1.00 0.00 H new ATOM 214 N ASN A 119 7.386 -15.632 2.112 1.00 0.00 N ATOM 215 CA ASN A 119 7.265 -16.188 0.759 1.00 0.00 C ATOM 216 C ASN A 119 6.536 -15.240 -0.226 1.00 0.00 C ATOM 217 O ASN A 119 6.791 -15.287 -1.431 1.00 0.00 O ATOM 218 CB ASN A 119 6.541 -17.539 0.890 1.00 0.00 C ATOM 219 CG ASN A 119 6.382 -18.254 -0.444 1.00 0.00 C ATOM 220 OD1 ASN A 119 5.335 -18.220 -1.075 1.00 0.00 O ATOM 221 ND2 ASN A 119 7.395 -18.961 -0.893 1.00 0.00 N ATOM 0 H ASN A 119 6.694 -16.008 2.760 1.00 0.00 H new ATOM 0 HA ASN A 119 8.258 -16.318 0.330 1.00 0.00 H new ATOM 0 HB2 ASN A 119 7.096 -18.179 1.576 1.00 0.00 H new ATOM 0 HB3 ASN A 119 5.557 -17.378 1.330 1.00 0.00 H new ATOM 0 HD21 ASN A 119 7.307 -19.480 -1.767 1.00 0.00 H new ATOM 0 HD22 ASN A 119 8.269 -18.990 -0.368 1.00 0.00 H new ATOM 228 N THR A 120 5.644 -14.377 0.272 1.00 0.00 N ATOM 229 CA THR A 120 4.829 -13.439 -0.523 1.00 0.00 C ATOM 230 C THR A 120 5.682 -12.355 -1.179 1.00 0.00 C ATOM 231 O THR A 120 6.506 -11.727 -0.511 1.00 0.00 O ATOM 232 CB THR A 120 3.765 -12.794 0.380 1.00 0.00 C ATOM 233 OG1 THR A 120 2.950 -13.814 0.919 1.00 0.00 O ATOM 234 CG2 THR A 120 2.849 -11.784 -0.300 1.00 0.00 C ATOM 0 H THR A 120 5.460 -14.306 1.273 1.00 0.00 H new ATOM 0 HA THR A 120 4.349 -14.004 -1.322 1.00 0.00 H new ATOM 0 HB THR A 120 4.326 -12.241 1.133 1.00 0.00 H new ATOM 0 HG1 THR A 120 2.268 -13.415 1.499 1.00 0.00 H new ATOM 0 HG21 THR A 120 2.138 -11.391 0.426 1.00 0.00 H new ATOM 0 HG22 THR A 120 3.445 -10.966 -0.703 1.00 0.00 H new ATOM 0 HG23 THR A 120 2.308 -12.272 -1.111 1.00 0.00 H new ATOM 242 N THR A 121 5.473 -12.107 -2.475 1.00 0.00 N ATOM 243 CA THR A 121 6.148 -11.036 -3.231 1.00 0.00 C ATOM 244 C THR A 121 5.519 -9.646 -3.142 1.00 0.00 C ATOM 245 O THR A 121 4.341 -9.490 -2.824 1.00 0.00 O ATOM 246 CB THR A 121 6.473 -11.407 -4.690 1.00 0.00 C ATOM 247 OG1 THR A 121 5.411 -11.035 -5.541 1.00 0.00 O ATOM 248 CG2 THR A 121 6.779 -12.884 -4.914 1.00 0.00 C ATOM 0 H THR A 121 4.821 -12.650 -3.041 1.00 0.00 H new ATOM 0 HA THR A 121 7.092 -10.953 -2.692 1.00 0.00 H new ATOM 0 HB THR A 121 7.382 -10.854 -4.925 1.00 0.00 H new ATOM 0 HG1 THR A 121 5.633 -11.275 -6.465 1.00 0.00 H new ATOM 0 HG21 THR A 121 6.996 -13.055 -5.968 1.00 0.00 H new ATOM 0 HG22 THR A 121 7.643 -13.172 -4.314 1.00 0.00 H new ATOM 0 HG23 THR A 121 5.917 -13.483 -4.620 1.00 0.00 H new ATOM 256 N VAL A 122 6.292 -8.614 -3.483 1.00 0.00 N ATOM 257 CA VAL A 122 5.770 -7.248 -3.655 1.00 0.00 C ATOM 258 C VAL A 122 4.663 -7.134 -4.713 1.00 0.00 C ATOM 259 O VAL A 122 3.699 -6.388 -4.532 1.00 0.00 O ATOM 260 CB VAL A 122 6.933 -6.268 -3.897 1.00 0.00 C ATOM 261 CG1 VAL A 122 7.536 -6.344 -5.305 1.00 0.00 C ATOM 262 CG2 VAL A 122 6.477 -4.835 -3.640 1.00 0.00 C ATOM 0 H VAL A 122 7.295 -8.696 -3.648 1.00 0.00 H new ATOM 0 HA VAL A 122 5.274 -6.971 -2.725 1.00 0.00 H new ATOM 0 HB VAL A 122 7.713 -6.567 -3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 122 8.348 -5.622 -5.392 1.00 0.00 H new ATOM 0 HG12 VAL A 122 7.922 -7.348 -5.482 1.00 0.00 H new ATOM 0 HG13 VAL A 122 6.767 -6.116 -6.043 1.00 0.00 H new ATOM 0 HG21 VAL A 122 7.308 -4.152 -3.814 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.657 -4.588 -4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 122 6.140 -4.740 -2.608 1.00 0.00 H new ATOM 272 N GLU A 123 4.754 -7.922 -5.788 1.00 0.00 N ATOM 273 CA GLU A 123 3.721 -7.997 -6.826 1.00 0.00 C ATOM 274 C GLU A 123 2.464 -8.721 -6.324 1.00 0.00 C ATOM 275 O GLU A 123 1.355 -8.280 -6.623 1.00 0.00 O ATOM 276 CB GLU A 123 4.265 -8.677 -8.092 1.00 0.00 C ATOM 277 CG GLU A 123 5.427 -7.894 -8.726 1.00 0.00 C ATOM 278 CD GLU A 123 5.881 -8.448 -10.096 1.00 0.00 C ATOM 279 OE1 GLU A 123 5.411 -9.525 -10.542 1.00 0.00 O ATOM 280 OE2 GLU A 123 6.736 -7.797 -10.747 1.00 0.00 O ATOM 0 H GLU A 123 5.553 -8.531 -5.964 1.00 0.00 H new ATOM 0 HA GLU A 123 3.437 -6.975 -7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 123 4.602 -9.684 -7.844 1.00 0.00 H new ATOM 0 HB3 GLU A 123 3.460 -8.780 -8.820 1.00 0.00 H new ATOM 0 HG2 GLU A 123 5.128 -6.853 -8.847 1.00 0.00 H new ATOM 0 HG3 GLU A 123 6.275 -7.904 -8.042 1.00 0.00 H new ATOM 287 N ASP A 124 2.614 -9.770 -5.503 1.00 0.00 N ATOM 288 CA ASP A 124 1.484 -10.395 -4.803 1.00 0.00 C ATOM 289 C ASP A 124 0.713 -9.381 -3.947 1.00 0.00 C ATOM 290 O ASP A 124 -0.505 -9.263 -4.081 1.00 0.00 O ATOM 291 CB ASP A 124 1.916 -11.564 -3.901 1.00 0.00 C ATOM 292 CG ASP A 124 2.521 -12.795 -4.586 1.00 0.00 C ATOM 293 OD1 ASP A 124 2.306 -13.020 -5.802 1.00 0.00 O ATOM 294 OD2 ASP A 124 3.173 -13.577 -3.850 1.00 0.00 O ATOM 0 H ASP A 124 3.515 -10.206 -5.307 1.00 0.00 H new ATOM 0 HA ASP A 124 0.837 -10.780 -5.591 1.00 0.00 H new ATOM 0 HB2 ASP A 124 2.644 -11.185 -3.184 1.00 0.00 H new ATOM 0 HB3 ASP A 124 1.046 -11.889 -3.330 1.00 0.00 H new ATOM 299 N VAL A 125 1.415 -8.606 -3.109 1.00 0.00 N ATOM 300 CA VAL A 125 0.784 -7.598 -2.239 1.00 0.00 C ATOM 301 C VAL A 125 0.074 -6.529 -3.071 1.00 0.00 C ATOM 302 O VAL A 125 -1.076 -6.203 -2.770 1.00 0.00 O ATOM 303 CB VAL A 125 1.800 -6.973 -1.262 1.00 0.00 C ATOM 304 CG1 VAL A 125 1.164 -5.909 -0.363 1.00 0.00 C ATOM 305 CG2 VAL A 125 2.366 -8.053 -0.337 1.00 0.00 C ATOM 0 H VAL A 125 2.429 -8.657 -3.013 1.00 0.00 H new ATOM 0 HA VAL A 125 0.032 -8.105 -1.634 1.00 0.00 H new ATOM 0 HB VAL A 125 2.575 -6.515 -1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 125 1.920 -5.499 0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 125 0.754 -5.109 -0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 125 0.365 -6.360 0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 125 3.083 -7.604 0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.554 -8.507 0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.864 -8.818 -0.933 1.00 0.00 H new ATOM 315 N LYS A 126 0.689 -6.032 -4.155 1.00 0.00 N ATOM 316 CA LYS A 126 0.031 -5.094 -5.077 1.00 0.00 C ATOM 317 C LYS A 126 -1.256 -5.688 -5.666 1.00 0.00 C ATOM 318 O LYS A 126 -2.317 -5.085 -5.513 1.00 0.00 O ATOM 319 CB LYS A 126 1.031 -4.592 -6.136 1.00 0.00 C ATOM 320 CG LYS A 126 0.370 -3.713 -7.214 1.00 0.00 C ATOM 321 CD LYS A 126 1.382 -2.784 -7.902 1.00 0.00 C ATOM 322 CE LYS A 126 0.691 -1.979 -9.012 1.00 0.00 C ATOM 323 NZ LYS A 126 1.635 -1.063 -9.711 1.00 0.00 N ATOM 0 H LYS A 126 1.647 -6.266 -4.415 1.00 0.00 H new ATOM 0 HA LYS A 126 -0.293 -4.216 -4.519 1.00 0.00 H new ATOM 0 HB2 LYS A 126 1.819 -4.023 -5.643 1.00 0.00 H new ATOM 0 HB3 LYS A 126 1.507 -5.448 -6.614 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -0.103 -4.350 -7.961 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -0.420 -3.115 -6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 126 1.821 -2.106 -7.170 1.00 0.00 H new ATOM 0 HD3 LYS A 126 2.199 -3.371 -8.322 1.00 0.00 H new ATOM 0 HE2 LYS A 126 0.250 -2.665 -9.735 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -0.126 -1.399 -8.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 1.310 -0.908 -10.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 1.671 -0.153 -9.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 2.584 -1.488 -9.725 1.00 0.00 H new ATOM 337 N HIS A 127 -1.209 -6.889 -6.251 1.00 0.00 N ATOM 338 CA HIS A 127 -2.395 -7.558 -6.815 1.00 0.00 C ATOM 339 C HIS A 127 -3.509 -7.815 -5.786 1.00 0.00 C ATOM 340 O HIS A 127 -4.682 -7.585 -6.085 1.00 0.00 O ATOM 341 CB HIS A 127 -1.992 -8.855 -7.527 1.00 0.00 C ATOM 342 CG HIS A 127 -1.362 -8.610 -8.878 1.00 0.00 C ATOM 343 ND1 HIS A 127 -2.008 -8.033 -9.977 1.00 0.00 N ATOM 344 CD2 HIS A 127 -0.147 -9.078 -9.284 1.00 0.00 C ATOM 345 CE1 HIS A 127 -1.144 -8.120 -11.003 1.00 0.00 C ATOM 346 NE2 HIS A 127 -0.016 -8.741 -10.613 1.00 0.00 N ATOM 0 H HIS A 127 -0.349 -7.429 -6.349 1.00 0.00 H new ATOM 0 HA HIS A 127 -2.820 -6.866 -7.542 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -1.292 -9.406 -6.899 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -2.873 -9.485 -7.651 1.00 0.00 H new ATOM 0 HD2 HIS A 127 0.573 -9.610 -8.680 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -1.329 -7.745 -11.999 1.00 0.00 H new ATOM 0 HE2 HIS A 127 0.796 -8.930 -11.200 1.00 0.00 H new ATOM 354 N TYR A 128 -3.158 -8.210 -4.558 1.00 0.00 N ATOM 355 CA TYR A 128 -4.084 -8.295 -3.429 1.00 0.00 C ATOM 356 C TYR A 128 -4.726 -6.995 -2.912 1.00 0.00 C ATOM 357 O TYR A 128 -5.752 -7.063 -2.231 1.00 0.00 O ATOM 358 CB TYR A 128 -3.519 -9.182 -2.313 1.00 0.00 C ATOM 359 CG TYR A 128 -3.762 -10.675 -2.478 1.00 0.00 C ATOM 360 CD1 TYR A 128 -2.759 -11.529 -2.978 1.00 0.00 C ATOM 361 CD2 TYR A 128 -4.991 -11.223 -2.062 1.00 0.00 C ATOM 362 CE1 TYR A 128 -2.966 -12.921 -3.027 1.00 0.00 C ATOM 363 CE2 TYR A 128 -5.209 -12.614 -2.117 1.00 0.00 C ATOM 364 CZ TYR A 128 -4.190 -13.469 -2.588 1.00 0.00 C ATOM 365 OH TYR A 128 -4.361 -14.819 -2.584 1.00 0.00 O ATOM 0 H TYR A 128 -2.205 -8.484 -4.319 1.00 0.00 H new ATOM 0 HA TYR A 128 -4.958 -8.780 -3.865 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -2.445 -9.012 -2.246 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -3.952 -8.863 -1.365 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -1.825 -11.113 -3.326 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -5.772 -10.572 -1.698 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -2.188 -13.570 -3.401 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -6.155 -13.026 -1.799 1.00 0.00 H new ATOM 0 HH TYR A 128 -5.258 -15.034 -2.253 1.00 0.00 H new ATOM 375 N PHE A 129 -4.189 -5.823 -3.270 1.00 0.00 N ATOM 376 CA PHE A 129 -4.808 -4.514 -3.018 1.00 0.00 C ATOM 377 C PHE A 129 -5.524 -3.837 -4.200 1.00 0.00 C ATOM 378 O PHE A 129 -6.493 -3.104 -3.999 1.00 0.00 O ATOM 379 CB PHE A 129 -3.878 -3.597 -2.211 1.00 0.00 C ATOM 380 CG PHE A 129 -3.731 -4.007 -0.751 1.00 0.00 C ATOM 381 CD1 PHE A 129 -4.819 -3.911 0.138 1.00 0.00 C ATOM 382 CD2 PHE A 129 -2.510 -4.532 -0.289 1.00 0.00 C ATOM 383 CE1 PHE A 129 -4.688 -4.355 1.468 1.00 0.00 C ATOM 384 CE2 PHE A 129 -2.380 -4.969 1.041 1.00 0.00 C ATOM 385 CZ PHE A 129 -3.469 -4.882 1.922 1.00 0.00 C ATOM 0 H PHE A 129 -3.293 -5.755 -3.753 1.00 0.00 H new ATOM 0 HA PHE A 129 -5.667 -4.738 -2.385 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -2.893 -3.590 -2.678 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -4.259 -2.577 -2.256 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -5.756 -3.496 -0.201 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -1.667 -4.600 -0.961 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -5.530 -4.290 2.142 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -1.439 -5.373 1.386 1.00 0.00 H new ATOM 0 HZ PHE A 129 -3.370 -5.219 2.943 1.00 0.00 H new ATOM 395 N GLU A 130 -5.125 -4.160 -5.435 1.00 0.00 N ATOM 396 CA GLU A 130 -5.743 -3.669 -6.685 1.00 0.00 C ATOM 397 C GLU A 130 -7.241 -4.016 -6.818 1.00 0.00 C ATOM 398 O GLU A 130 -7.974 -3.335 -7.539 1.00 0.00 O ATOM 399 CB GLU A 130 -4.973 -4.225 -7.898 1.00 0.00 C ATOM 400 CG GLU A 130 -3.535 -3.694 -8.037 1.00 0.00 C ATOM 401 CD GLU A 130 -3.366 -2.590 -9.090 1.00 0.00 C ATOM 402 OE1 GLU A 130 -2.382 -2.623 -9.864 1.00 0.00 O ATOM 403 OE2 GLU A 130 -4.165 -1.629 -9.133 1.00 0.00 O ATOM 0 H GLU A 130 -4.340 -4.789 -5.604 1.00 0.00 H new ATOM 0 HA GLU A 130 -5.681 -2.581 -6.652 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -4.940 -5.312 -7.825 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -5.526 -3.983 -8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -3.207 -3.311 -7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -2.877 -4.525 -8.290 1.00 0.00 H new ATOM 410 N GLN A 131 -7.719 -5.043 -6.101 1.00 0.00 N ATOM 411 CA GLN A 131 -9.139 -5.426 -6.055 1.00 0.00 C ATOM 412 C GLN A 131 -10.056 -4.343 -5.450 1.00 0.00 C ATOM 413 O GLN A 131 -11.225 -4.251 -5.834 1.00 0.00 O ATOM 414 CB GLN A 131 -9.298 -6.759 -5.300 1.00 0.00 C ATOM 415 CG GLN A 131 -8.863 -6.737 -3.823 1.00 0.00 C ATOM 416 CD GLN A 131 -9.094 -8.077 -3.117 1.00 0.00 C ATOM 417 OE1 GLN A 131 -10.074 -8.781 -3.336 1.00 0.00 O ATOM 418 NE2 GLN A 131 -8.215 -8.479 -2.226 1.00 0.00 N ATOM 0 H GLN A 131 -7.122 -5.640 -5.528 1.00 0.00 H new ATOM 0 HA GLN A 131 -9.464 -5.544 -7.089 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -10.344 -7.062 -5.349 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -8.720 -7.523 -5.820 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -7.806 -6.478 -3.764 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -9.413 -5.955 -3.298 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -7.392 -7.909 -2.028 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -8.356 -9.361 -1.733 1.00 0.00 H new ATOM 427 N PHE A 132 -9.549 -3.520 -4.525 1.00 0.00 N ATOM 428 CA PHE A 132 -10.317 -2.443 -3.880 1.00 0.00 C ATOM 429 C PHE A 132 -10.396 -1.157 -4.709 1.00 0.00 C ATOM 430 O PHE A 132 -11.359 -0.392 -4.608 1.00 0.00 O ATOM 431 CB PHE A 132 -9.713 -2.165 -2.499 1.00 0.00 C ATOM 432 CG PHE A 132 -9.762 -3.382 -1.600 1.00 0.00 C ATOM 433 CD1 PHE A 132 -10.995 -3.874 -1.133 1.00 0.00 C ATOM 434 CD2 PHE A 132 -8.576 -4.077 -1.304 1.00 0.00 C ATOM 435 CE1 PHE A 132 -11.036 -5.054 -0.371 1.00 0.00 C ATOM 436 CE2 PHE A 132 -8.614 -5.243 -0.523 1.00 0.00 C ATOM 437 CZ PHE A 132 -9.846 -5.736 -0.059 1.00 0.00 C ATOM 0 H PHE A 132 -8.585 -3.582 -4.198 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.347 -2.787 -3.787 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -8.678 -1.842 -2.615 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -10.252 -1.344 -2.027 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -11.909 -3.345 -1.360 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -7.631 -3.712 -1.679 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -11.984 -5.438 -0.024 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -7.698 -5.761 -0.279 1.00 0.00 H new ATOM 0 HZ PHE A 132 -9.879 -6.637 0.536 1.00 0.00 H new ATOM 447 N GLY A 133 -9.371 -0.933 -5.527 1.00 0.00 N ATOM 448 CA GLY A 133 -9.146 0.237 -6.369 1.00 0.00 C ATOM 449 C GLY A 133 -7.677 0.307 -6.789 1.00 0.00 C ATOM 450 O GLY A 133 -6.843 -0.444 -6.276 1.00 0.00 O ATOM 0 H GLY A 133 -8.620 -1.616 -5.625 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -9.783 0.187 -7.252 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -9.421 1.142 -5.828 1.00 0.00 H new ATOM 454 N LYS A 134 -7.347 1.189 -7.738 1.00 0.00 N ATOM 455 CA LYS A 134 -6.032 1.198 -8.388 1.00 0.00 C ATOM 456 C LYS A 134 -4.891 1.497 -7.406 1.00 0.00 C ATOM 457 O LYS A 134 -4.914 2.481 -6.661 1.00 0.00 O ATOM 458 CB LYS A 134 -6.032 2.153 -9.595 1.00 0.00 C ATOM 459 CG LYS A 134 -4.773 2.000 -10.467 1.00 0.00 C ATOM 460 CD LYS A 134 -4.885 0.800 -11.423 1.00 0.00 C ATOM 461 CE LYS A 134 -3.553 0.444 -12.095 1.00 0.00 C ATOM 462 NZ LYS A 134 -2.577 -0.136 -11.136 1.00 0.00 N ATOM 0 H LYS A 134 -7.980 1.914 -8.076 1.00 0.00 H new ATOM 0 HA LYS A 134 -5.842 0.191 -8.760 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -6.917 1.965 -10.203 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -6.102 3.181 -9.241 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -4.617 2.912 -11.044 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -3.900 1.875 -9.827 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -5.250 -0.066 -10.870 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -5.626 1.022 -12.191 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -3.734 -0.267 -12.901 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -3.126 1.339 -12.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -1.610 0.042 -11.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -2.704 0.305 -10.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -2.734 -1.161 -11.059 1.00 0.00 H new ATOM 476 N VAL A 135 -3.871 0.647 -7.461 1.00 0.00 N ATOM 477 CA VAL A 135 -2.609 0.757 -6.717 1.00 0.00 C ATOM 478 C VAL A 135 -1.548 1.365 -7.629 1.00 0.00 C ATOM 479 O VAL A 135 -1.383 0.942 -8.776 1.00 0.00 O ATOM 480 CB VAL A 135 -2.174 -0.623 -6.191 1.00 0.00 C ATOM 481 CG1 VAL A 135 -0.835 -0.601 -5.450 1.00 0.00 C ATOM 482 CG2 VAL A 135 -3.231 -1.202 -5.242 1.00 0.00 C ATOM 0 H VAL A 135 -3.898 -0.182 -8.055 1.00 0.00 H new ATOM 0 HA VAL A 135 -2.744 1.406 -5.852 1.00 0.00 H new ATOM 0 HB VAL A 135 -2.061 -1.245 -7.079 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.592 -1.607 -5.108 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -0.053 -0.248 -6.122 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.905 0.067 -4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.902 -2.177 -4.883 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -3.366 -0.530 -4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -4.176 -1.311 -5.773 1.00 0.00 H new ATOM 492 N ASP A 136 -0.820 2.355 -7.122 1.00 0.00 N ATOM 493 CA ASP A 136 0.331 2.954 -7.793 1.00 0.00 C ATOM 494 C ASP A 136 1.584 2.066 -7.730 1.00 0.00 C ATOM 495 O ASP A 136 2.111 1.623 -8.752 1.00 0.00 O ATOM 496 CB ASP A 136 0.566 4.370 -7.235 1.00 0.00 C ATOM 497 CG ASP A 136 1.884 5.019 -7.697 1.00 0.00 C ATOM 498 OD1 ASP A 136 2.521 5.725 -6.880 1.00 0.00 O ATOM 499 OD2 ASP A 136 2.265 4.869 -8.882 1.00 0.00 O ATOM 0 H ASP A 136 -1.017 2.773 -6.213 1.00 0.00 H new ATOM 0 HA ASP A 136 0.109 3.038 -8.857 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -0.265 5.009 -7.534 1.00 0.00 H new ATOM 0 HB3 ASP A 136 0.558 4.325 -6.146 1.00 0.00 H new ATOM 504 N ASP A 137 2.019 1.731 -6.514 1.00 0.00 N ATOM 505 CA ASP A 137 3.293 1.047 -6.250 1.00 0.00 C ATOM 506 C ASP A 137 3.230 0.328 -4.885 1.00 0.00 C ATOM 507 O ASP A 137 2.337 0.575 -4.071 1.00 0.00 O ATOM 508 CB ASP A 137 4.409 2.113 -6.242 1.00 0.00 C ATOM 509 CG ASP A 137 5.831 1.533 -6.343 1.00 0.00 C ATOM 510 OD1 ASP A 137 6.798 2.280 -6.065 1.00 0.00 O ATOM 511 OD2 ASP A 137 5.989 0.349 -6.722 1.00 0.00 O ATOM 0 H ASP A 137 1.488 1.930 -5.666 1.00 0.00 H new ATOM 0 HA ASP A 137 3.493 0.300 -7.018 1.00 0.00 H new ATOM 0 HB2 ASP A 137 4.248 2.799 -7.074 1.00 0.00 H new ATOM 0 HB3 ASP A 137 4.331 2.699 -5.326 1.00 0.00 H new ATOM 516 N ALA A 138 4.198 -0.551 -4.623 1.00 0.00 N ATOM 517 CA ALA A 138 4.381 -1.257 -3.355 1.00 0.00 C ATOM 518 C ALA A 138 5.874 -1.539 -3.080 1.00 0.00 C ATOM 519 O ALA A 138 6.690 -1.577 -4.005 1.00 0.00 O ATOM 520 CB ALA A 138 3.543 -2.546 -3.374 1.00 0.00 C ATOM 0 H ALA A 138 4.904 -0.800 -5.316 1.00 0.00 H new ATOM 0 HA ALA A 138 4.034 -0.628 -2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 138 3.674 -3.079 -2.432 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.491 -2.294 -3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 138 3.870 -3.180 -4.198 1.00 0.00 H new ATOM 526 N MET A 139 6.236 -1.748 -1.809 1.00 0.00 N ATOM 527 CA MET A 139 7.602 -2.090 -1.378 1.00 0.00 C ATOM 528 C MET A 139 7.591 -2.907 -0.079 1.00 0.00 C ATOM 529 O MET A 139 7.019 -2.475 0.920 1.00 0.00 O ATOM 530 CB MET A 139 8.467 -0.819 -1.247 1.00 0.00 C ATOM 531 CG MET A 139 7.924 0.238 -0.272 1.00 0.00 C ATOM 532 SD MET A 139 8.942 1.731 -0.175 1.00 0.00 S ATOM 533 CE MET A 139 8.133 2.559 1.219 1.00 0.00 C ATOM 0 H MET A 139 5.576 -1.684 -1.034 1.00 0.00 H new ATOM 0 HA MET A 139 8.052 -2.719 -2.146 1.00 0.00 H new ATOM 0 HB2 MET A 139 9.467 -1.110 -0.924 1.00 0.00 H new ATOM 0 HB3 MET A 139 8.570 -0.364 -2.232 1.00 0.00 H new ATOM 0 HG2 MET A 139 6.915 0.516 -0.577 1.00 0.00 H new ATOM 0 HG3 MET A 139 7.846 -0.203 0.722 1.00 0.00 H new ATOM 0 HE1 MET A 139 8.635 3.505 1.421 1.00 0.00 H new ATOM 0 HE2 MET A 139 7.088 2.747 0.974 1.00 0.00 H new ATOM 0 HE3 MET A 139 8.189 1.923 2.102 1.00 0.00 H new ATOM 543 N LEU A 140 8.220 -4.085 -0.073 1.00 0.00 N ATOM 544 CA LEU A 140 8.376 -4.912 1.135 1.00 0.00 C ATOM 545 C LEU A 140 9.761 -4.702 1.756 1.00 0.00 C ATOM 546 O LEU A 140 10.732 -4.441 1.043 1.00 0.00 O ATOM 547 CB LEU A 140 8.059 -6.395 0.862 1.00 0.00 C ATOM 548 CG LEU A 140 6.790 -6.661 0.028 1.00 0.00 C ATOM 549 CD1 LEU A 140 6.486 -8.156 -0.003 1.00 0.00 C ATOM 550 CD2 LEU A 140 5.537 -5.963 0.554 1.00 0.00 C ATOM 0 H LEU A 140 8.638 -4.497 -0.907 1.00 0.00 H new ATOM 0 HA LEU A 140 7.641 -4.585 1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 140 8.910 -6.842 0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 140 7.958 -6.909 1.818 1.00 0.00 H new ATOM 0 HG LEU A 140 7.014 -6.261 -0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 140 5.588 -8.332 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 140 7.325 -8.689 -0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 140 6.327 -8.516 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 140 4.690 -6.202 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 140 5.330 -6.303 1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 140 5.696 -4.885 0.559 1.00 0.00 H new ATOM 562 N MET A 141 9.862 -4.782 3.083 1.00 0.00 N ATOM 563 CA MET A 141 11.092 -4.440 3.807 1.00 0.00 C ATOM 564 C MET A 141 12.101 -5.599 3.813 1.00 0.00 C ATOM 565 O MET A 141 12.178 -6.386 4.760 1.00 0.00 O ATOM 566 CB MET A 141 10.757 -3.909 5.207 1.00 0.00 C ATOM 567 CG MET A 141 9.950 -2.601 5.177 1.00 0.00 C ATOM 568 SD MET A 141 10.671 -1.171 4.315 1.00 0.00 S ATOM 569 CE MET A 141 9.850 -1.244 2.702 1.00 0.00 C ATOM 0 H MET A 141 9.098 -5.084 3.687 1.00 0.00 H new ATOM 0 HA MET A 141 11.595 -3.633 3.275 1.00 0.00 H new ATOM 0 HB2 MET A 141 10.191 -4.666 5.751 1.00 0.00 H new ATOM 0 HB3 MET A 141 11.683 -3.745 5.759 1.00 0.00 H new ATOM 0 HG2 MET A 141 8.985 -2.815 4.718 1.00 0.00 H new ATOM 0 HG3 MET A 141 9.755 -2.306 6.208 1.00 0.00 H new ATOM 0 HE1 MET A 141 9.850 -0.253 2.249 1.00 0.00 H new ATOM 0 HE2 MET A 141 10.383 -1.940 2.054 1.00 0.00 H new ATOM 0 HE3 MET A 141 8.822 -1.584 2.832 1.00 0.00 H new ATOM 699 N HIS A 149 11.937 -10.392 2.628 1.00 0.00 N ATOM 700 CA HIS A 149 11.511 -9.394 3.624 1.00 0.00 C ATOM 701 C HIS A 149 11.241 -10.005 5.006 1.00 0.00 C ATOM 702 O HIS A 149 11.053 -11.216 5.144 1.00 0.00 O ATOM 703 CB HIS A 149 10.310 -8.600 3.090 1.00 0.00 C ATOM 704 CG HIS A 149 9.089 -9.445 2.857 1.00 0.00 C ATOM 705 ND1 HIS A 149 8.088 -9.689 3.799 1.00 0.00 N ATOM 706 CD2 HIS A 149 8.793 -10.109 1.705 1.00 0.00 C ATOM 707 CE1 HIS A 149 7.208 -10.498 3.186 1.00 0.00 C ATOM 708 NE2 HIS A 149 7.610 -10.770 1.934 1.00 0.00 N ATOM 0 HA HIS A 149 12.339 -8.702 3.777 1.00 0.00 H new ATOM 0 HB2 HIS A 149 10.065 -7.808 3.797 1.00 0.00 H new ATOM 0 HB3 HIS A 149 10.591 -8.116 2.155 1.00 0.00 H new ATOM 0 HD2 HIS A 149 9.372 -10.115 0.794 1.00 0.00 H new ATOM 0 HE1 HIS A 149 6.303 -10.877 3.637 1.00 0.00 H new ATOM 0 HE2 HIS A 149 7.121 -11.366 1.266 1.00 0.00 H new ATOM 716 N ARG A 150 11.226 -9.151 6.038 1.00 0.00 N ATOM 717 CA ARG A 150 10.981 -9.517 7.439 1.00 0.00 C ATOM 718 C ARG A 150 9.523 -9.928 7.737 1.00 0.00 C ATOM 719 O ARG A 150 9.263 -10.533 8.776 1.00 0.00 O ATOM 720 CB ARG A 150 11.495 -8.343 8.303 1.00 0.00 C ATOM 721 CG ARG A 150 11.105 -8.493 9.773 1.00 0.00 C ATOM 722 CD ARG A 150 11.854 -7.571 10.747 1.00 0.00 C ATOM 723 NE ARG A 150 11.173 -7.473 12.058 1.00 0.00 N ATOM 724 CZ ARG A 150 10.666 -8.451 12.789 1.00 0.00 C ATOM 725 NH1 ARG A 150 10.949 -9.712 12.646 1.00 0.00 N ATOM 726 NH2 ARG A 150 9.812 -8.177 13.718 1.00 0.00 N ATOM 0 H ARG A 150 11.390 -8.152 5.916 1.00 0.00 H new ATOM 0 HA ARG A 150 11.527 -10.428 7.687 1.00 0.00 H new ATOM 0 HB2 ARG A 150 12.580 -8.282 8.221 1.00 0.00 H new ATOM 0 HB3 ARG A 150 11.093 -7.406 7.916 1.00 0.00 H new ATOM 0 HG2 ARG A 150 10.036 -8.305 9.869 1.00 0.00 H new ATOM 0 HG3 ARG A 150 11.275 -9.527 10.073 1.00 0.00 H new ATOM 0 HD2 ARG A 150 12.867 -7.945 10.893 1.00 0.00 H new ATOM 0 HD3 ARG A 150 11.941 -6.577 10.309 1.00 0.00 H new ATOM 0 HE ARG A 150 11.084 -6.534 12.446 1.00 0.00 H new ATOM 0 HH11 ARG A 150 11.608 -10.008 11.926 1.00 0.00 H new ATOM 0 HH12 ARG A 150 10.512 -10.405 13.254 1.00 0.00 H new ATOM 0 HH21 ARG A 150 9.532 -7.210 13.884 1.00 0.00 H new ATOM 0 HH22 ARG A 150 9.417 -8.927 14.285 1.00 0.00 H new ATOM 740 N GLY A 151 8.575 -9.626 6.849 1.00 0.00 N ATOM 741 CA GLY A 151 7.141 -9.881 7.043 1.00 0.00 C ATOM 742 C GLY A 151 6.269 -8.623 7.129 1.00 0.00 C ATOM 743 O GLY A 151 5.172 -8.680 7.687 1.00 0.00 O ATOM 0 H GLY A 151 8.785 -9.187 5.953 1.00 0.00 H new ATOM 0 HA2 GLY A 151 6.782 -10.499 6.220 1.00 0.00 H new ATOM 0 HA3 GLY A 151 7.010 -10.460 7.957 1.00 0.00 H new ATOM 747 N PHE A 152 6.726 -7.485 6.595 1.00 0.00 N ATOM 748 CA PHE A 152 5.901 -6.280 6.455 1.00 0.00 C ATOM 749 C PHE A 152 6.392 -5.399 5.287 1.00 0.00 C ATOM 750 O PHE A 152 7.497 -5.575 4.761 1.00 0.00 O ATOM 751 CB PHE A 152 5.884 -5.485 7.773 1.00 0.00 C ATOM 752 CG PHE A 152 7.181 -4.812 8.174 1.00 0.00 C ATOM 753 CD1 PHE A 152 7.386 -3.460 7.843 1.00 0.00 C ATOM 754 CD2 PHE A 152 8.149 -5.500 8.929 1.00 0.00 C ATOM 755 CE1 PHE A 152 8.528 -2.784 8.299 1.00 0.00 C ATOM 756 CE2 PHE A 152 9.300 -4.826 9.375 1.00 0.00 C ATOM 757 CZ PHE A 152 9.489 -3.469 9.065 1.00 0.00 C ATOM 0 H PHE A 152 7.679 -7.373 6.248 1.00 0.00 H new ATOM 0 HA PHE A 152 4.882 -6.592 6.227 1.00 0.00 H new ATOM 0 HB2 PHE A 152 5.111 -4.720 7.700 1.00 0.00 H new ATOM 0 HB3 PHE A 152 5.588 -6.161 8.575 1.00 0.00 H new ATOM 0 HD1 PHE A 152 6.661 -2.940 7.235 1.00 0.00 H new ATOM 0 HD2 PHE A 152 8.008 -6.544 9.166 1.00 0.00 H new ATOM 0 HE1 PHE A 152 8.669 -1.740 8.062 1.00 0.00 H new ATOM 0 HE2 PHE A 152 10.041 -5.353 9.958 1.00 0.00 H new ATOM 0 HZ PHE A 152 10.371 -2.952 9.414 1.00 0.00 H new ATOM 767 N GLY A 153 5.560 -4.438 4.883 1.00 0.00 N ATOM 768 CA GLY A 153 5.838 -3.501 3.791 1.00 0.00 C ATOM 769 C GLY A 153 4.833 -2.352 3.676 1.00 0.00 C ATOM 770 O GLY A 153 3.992 -2.150 4.552 1.00 0.00 O ATOM 0 H GLY A 153 4.650 -4.285 5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 153 6.835 -3.083 3.931 1.00 0.00 H new ATOM 0 HA3 GLY A 153 5.852 -4.051 2.850 1.00 0.00 H new ATOM 774 N PHE A 154 4.927 -1.610 2.574 1.00 0.00 N ATOM 775 CA PHE A 154 4.075 -0.478 2.201 1.00 0.00 C ATOM 776 C PHE A 154 3.379 -0.581 0.836 1.00 0.00 C ATOM 777 O PHE A 154 3.915 -1.202 -0.084 1.00 0.00 O ATOM 778 CB PHE A 154 4.866 0.828 2.320 1.00 0.00 C ATOM 779 CG PHE A 154 5.210 1.199 3.743 1.00 0.00 C ATOM 780 CD1 PHE A 154 6.410 0.735 4.310 1.00 0.00 C ATOM 781 CD2 PHE A 154 4.325 1.979 4.508 1.00 0.00 C ATOM 782 CE1 PHE A 154 6.730 1.060 5.635 1.00 0.00 C ATOM 783 CE2 PHE A 154 4.663 2.334 5.823 1.00 0.00 C ATOM 784 CZ PHE A 154 5.869 1.880 6.384 1.00 0.00 C ATOM 0 H PHE A 154 5.645 -1.793 1.873 1.00 0.00 H new ATOM 0 HA PHE A 154 3.250 -0.495 2.913 1.00 0.00 H new ATOM 0 HB2 PHE A 154 5.787 0.739 1.744 1.00 0.00 H new ATOM 0 HB3 PHE A 154 4.287 1.636 1.873 1.00 0.00 H new ATOM 0 HD1 PHE A 154 7.085 0.128 3.725 1.00 0.00 H new ATOM 0 HD2 PHE A 154 3.386 2.304 4.084 1.00 0.00 H new ATOM 0 HE1 PHE A 154 7.638 0.681 6.080 1.00 0.00 H new ATOM 0 HE2 PHE A 154 3.997 2.955 6.403 1.00 0.00 H new ATOM 0 HZ PHE A 154 6.134 2.162 7.392 1.00 0.00 H new ATOM 794 N VAL A 155 2.222 0.075 0.686 1.00 0.00 N ATOM 795 CA VAL A 155 1.444 0.164 -0.568 1.00 0.00 C ATOM 796 C VAL A 155 0.899 1.578 -0.801 1.00 0.00 C ATOM 797 O VAL A 155 0.337 2.181 0.115 1.00 0.00 O ATOM 798 CB VAL A 155 0.309 -0.885 -0.624 1.00 0.00 C ATOM 799 CG1 VAL A 155 -0.363 -0.936 -1.999 1.00 0.00 C ATOM 800 CG2 VAL A 155 0.783 -2.303 -0.290 1.00 0.00 C ATOM 0 H VAL A 155 1.782 0.577 1.457 1.00 0.00 H new ATOM 0 HA VAL A 155 2.136 -0.062 -1.379 1.00 0.00 H new ATOM 0 HB VAL A 155 -0.402 -0.555 0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -1.153 -1.687 -1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -0.791 0.039 -2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 155 0.377 -1.197 -2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -0.060 -2.991 -0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 155 1.549 -2.608 -1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 155 1.198 -2.320 0.718 1.00 0.00 H new ATOM 810 N THR A 156 1.052 2.092 -2.024 1.00 0.00 N ATOM 811 CA THR A 156 0.622 3.424 -2.496 1.00 0.00 C ATOM 812 C THR A 156 -0.583 3.416 -3.442 1.00 0.00 C ATOM 813 O THR A 156 -0.666 2.549 -4.309 1.00 0.00 O ATOM 814 CB THR A 156 1.789 4.268 -3.054 1.00 0.00 C ATOM 815 OG1 THR A 156 3.004 3.985 -2.387 1.00 0.00 O ATOM 816 CG2 THR A 156 1.545 5.774 -2.948 1.00 0.00 C ATOM 0 H THR A 156 1.509 1.559 -2.764 1.00 0.00 H new ATOM 0 HA THR A 156 0.265 3.918 -1.592 1.00 0.00 H new ATOM 0 HB THR A 156 1.855 3.990 -4.106 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.721 4.535 -2.766 1.00 0.00 H new ATOM 0 HG21 THR A 156 2.401 6.311 -3.357 1.00 0.00 H new ATOM 0 HG22 THR A 156 0.649 6.038 -3.510 1.00 0.00 H new ATOM 0 HG23 THR A 156 1.411 6.048 -1.902 1.00 0.00 H new ATOM 824 N PHE A 157 -1.509 4.372 -3.328 1.00 0.00 N ATOM 825 CA PHE A 157 -2.819 4.369 -3.982 1.00 0.00 C ATOM 826 C PHE A 157 -3.097 5.494 -4.986 1.00 0.00 C ATOM 827 O PHE A 157 -2.529 6.582 -4.893 1.00 0.00 O ATOM 828 CB PHE A 157 -3.919 4.233 -2.918 1.00 0.00 C ATOM 829 CG PHE A 157 -3.988 2.856 -2.285 1.00 0.00 C ATOM 830 CD1 PHE A 157 -3.101 2.518 -1.246 1.00 0.00 C ATOM 831 CD2 PHE A 157 -4.922 1.906 -2.738 1.00 0.00 C ATOM 832 CE1 PHE A 157 -3.138 1.236 -0.678 1.00 0.00 C ATOM 833 CE2 PHE A 157 -4.970 0.629 -2.153 1.00 0.00 C ATOM 834 CZ PHE A 157 -4.075 0.290 -1.123 1.00 0.00 C ATOM 0 H PHE A 157 -1.360 5.202 -2.754 1.00 0.00 H new ATOM 0 HA PHE A 157 -2.816 3.496 -4.635 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -3.750 4.974 -2.137 1.00 0.00 H new ATOM 0 HB3 PHE A 157 -4.883 4.463 -3.373 1.00 0.00 H new ATOM 0 HD1 PHE A 157 -2.390 3.247 -0.885 1.00 0.00 H new ATOM 0 HD2 PHE A 157 -5.603 2.159 -3.537 1.00 0.00 H new ATOM 0 HE1 PHE A 157 -2.442 0.975 0.106 1.00 0.00 H new ATOM 0 HE2 PHE A 157 -5.696 -0.094 -2.495 1.00 0.00 H new ATOM 0 HZ PHE A 157 -4.108 -0.693 -0.677 1.00 0.00 H new ATOM 844 N GLU A 158 -4.012 5.249 -5.923 1.00 0.00 N ATOM 845 CA GLU A 158 -4.503 6.260 -6.875 1.00 0.00 C ATOM 846 C GLU A 158 -5.423 7.312 -6.220 1.00 0.00 C ATOM 847 O GLU A 158 -5.431 8.472 -6.637 1.00 0.00 O ATOM 848 CB GLU A 158 -5.212 5.530 -8.031 1.00 0.00 C ATOM 849 CG GLU A 158 -5.870 6.416 -9.105 1.00 0.00 C ATOM 850 CD GLU A 158 -4.898 7.296 -9.925 1.00 0.00 C ATOM 851 OE1 GLU A 158 -5.388 8.101 -10.756 1.00 0.00 O ATOM 852 OE2 GLU A 158 -3.656 7.184 -9.786 1.00 0.00 O ATOM 0 H GLU A 158 -4.442 4.333 -6.049 1.00 0.00 H new ATOM 0 HA GLU A 158 -3.650 6.825 -7.252 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.485 4.883 -8.522 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -5.979 4.883 -7.606 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -6.421 5.775 -9.793 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -6.599 7.065 -8.620 1.00 0.00 H new ATOM 859 N SER A 159 -6.179 6.930 -5.180 1.00 0.00 N ATOM 860 CA SER A 159 -7.112 7.808 -4.457 1.00 0.00 C ATOM 861 C SER A 159 -7.166 7.503 -2.957 1.00 0.00 C ATOM 862 O SER A 159 -7.073 6.348 -2.535 1.00 0.00 O ATOM 863 CB SER A 159 -8.509 7.721 -5.083 1.00 0.00 C ATOM 864 OG SER A 159 -9.434 8.520 -4.360 1.00 0.00 O ATOM 0 H SER A 159 -6.158 5.980 -4.809 1.00 0.00 H new ATOM 0 HA SER A 159 -6.739 8.828 -4.552 1.00 0.00 H new ATOM 0 HB2 SER A 159 -8.469 8.051 -6.121 1.00 0.00 H new ATOM 0 HB3 SER A 159 -8.845 6.684 -5.091 1.00 0.00 H new ATOM 0 HG SER A 159 -10.319 8.453 -4.776 1.00 0.00 H new ATOM 870 N GLU A 160 -7.359 8.546 -2.145 1.00 0.00 N ATOM 871 CA GLU A 160 -7.526 8.431 -0.687 1.00 0.00 C ATOM 872 C GLU A 160 -8.828 7.700 -0.315 1.00 0.00 C ATOM 873 O GLU A 160 -8.897 7.051 0.729 1.00 0.00 O ATOM 874 CB GLU A 160 -7.486 9.823 -0.026 1.00 0.00 C ATOM 875 CG GLU A 160 -6.114 10.483 -0.211 1.00 0.00 C ATOM 876 CD GLU A 160 -6.046 11.957 0.213 1.00 0.00 C ATOM 877 OE1 GLU A 160 -6.591 12.329 1.280 1.00 0.00 O ATOM 878 OE2 GLU A 160 -5.426 12.740 -0.549 1.00 0.00 O ATOM 0 H GLU A 160 -7.405 9.508 -2.482 1.00 0.00 H new ATOM 0 HA GLU A 160 -6.694 7.835 -0.311 1.00 0.00 H new ATOM 0 HB2 GLU A 160 -8.259 10.457 -0.459 1.00 0.00 H new ATOM 0 HB3 GLU A 160 -7.708 9.731 1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -5.376 9.921 0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 160 -5.829 10.408 -1.260 1.00 0.00 H new ATOM 885 N ASP A 161 -9.839 7.722 -1.192 1.00 0.00 N ATOM 886 CA ASP A 161 -11.061 6.925 -1.026 1.00 0.00 C ATOM 887 C ASP A 161 -10.833 5.407 -0.995 1.00 0.00 C ATOM 888 O ASP A 161 -11.522 4.688 -0.266 1.00 0.00 O ATOM 889 CB ASP A 161 -12.123 7.309 -2.072 1.00 0.00 C ATOM 890 CG ASP A 161 -12.810 8.671 -1.844 1.00 0.00 C ATOM 891 OD1 ASP A 161 -12.625 9.317 -0.784 1.00 0.00 O ATOM 892 OD2 ASP A 161 -13.581 9.095 -2.739 1.00 0.00 O ATOM 0 H ASP A 161 -9.833 8.293 -2.037 1.00 0.00 H new ATOM 0 HA ASP A 161 -11.435 7.177 -0.034 1.00 0.00 H new ATOM 0 HB2 ASP A 161 -11.654 7.317 -3.056 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -12.888 6.533 -2.090 1.00 0.00 H new ATOM 897 N ILE A 162 -9.826 4.915 -1.733 1.00 0.00 N ATOM 898 CA ILE A 162 -9.404 3.512 -1.650 1.00 0.00 C ATOM 899 C ILE A 162 -8.677 3.255 -0.335 1.00 0.00 C ATOM 900 O ILE A 162 -8.963 2.261 0.321 1.00 0.00 O ATOM 901 CB ILE A 162 -8.520 3.070 -2.834 1.00 0.00 C ATOM 902 CG1 ILE A 162 -9.032 3.522 -4.209 1.00 0.00 C ATOM 903 CG2 ILE A 162 -8.369 1.538 -2.827 1.00 0.00 C ATOM 904 CD1 ILE A 162 -10.510 3.221 -4.494 1.00 0.00 C ATOM 0 H ILE A 162 -9.288 5.473 -2.396 1.00 0.00 H new ATOM 0 HA ILE A 162 -10.314 2.914 -1.696 1.00 0.00 H new ATOM 0 HB ILE A 162 -7.559 3.562 -2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 162 -8.873 4.596 -4.301 1.00 0.00 H new ATOM 0 HG13 ILE A 162 -8.427 3.043 -4.978 1.00 0.00 H new ATOM 0 HG21 ILE A 162 -7.744 1.230 -3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 162 -7.905 1.222 -1.893 1.00 0.00 H new ATOM 0 HG23 ILE A 162 -9.352 1.075 -2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 162 -10.769 3.581 -5.490 1.00 0.00 H new ATOM 0 HD12 ILE A 162 -10.679 2.145 -4.441 1.00 0.00 H new ATOM 0 HD13 ILE A 162 -11.133 3.723 -3.754 1.00 0.00 H new ATOM 916 N VAL A 163 -7.792 4.161 0.100 1.00 0.00 N ATOM 917 CA VAL A 163 -7.081 4.009 1.381 1.00 0.00 C ATOM 918 C VAL A 163 -8.083 3.861 2.528 1.00 0.00 C ATOM 919 O VAL A 163 -7.938 2.949 3.336 1.00 0.00 O ATOM 920 CB VAL A 163 -6.132 5.194 1.653 1.00 0.00 C ATOM 921 CG1 VAL A 163 -5.459 5.109 3.029 1.00 0.00 C ATOM 922 CG2 VAL A 163 -5.044 5.250 0.581 1.00 0.00 C ATOM 0 H VAL A 163 -7.550 5.008 -0.415 1.00 0.00 H new ATOM 0 HA VAL A 163 -6.473 3.107 1.316 1.00 0.00 H new ATOM 0 HB VAL A 163 -6.745 6.095 1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -4.803 5.968 3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -6.222 5.107 3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -4.874 4.192 3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 163 -4.379 6.090 0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -4.472 4.322 0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 163 -5.505 5.378 -0.399 1.00 0.00 H new ATOM 932 N GLU A 164 -9.138 4.680 2.565 1.00 0.00 N ATOM 933 CA GLU A 164 -10.240 4.531 3.531 1.00 0.00 C ATOM 934 C GLU A 164 -10.970 3.180 3.399 1.00 0.00 C ATOM 935 O GLU A 164 -11.124 2.470 4.395 1.00 0.00 O ATOM 936 CB GLU A 164 -11.257 5.679 3.376 1.00 0.00 C ATOM 937 CG GLU A 164 -10.728 7.087 3.700 1.00 0.00 C ATOM 938 CD GLU A 164 -10.353 7.320 5.175 1.00 0.00 C ATOM 939 OE1 GLU A 164 -9.785 8.393 5.488 1.00 0.00 O ATOM 940 OE2 GLU A 164 -10.589 6.450 6.048 1.00 0.00 O ATOM 0 H GLU A 164 -9.256 5.467 1.927 1.00 0.00 H new ATOM 0 HA GLU A 164 -9.787 4.567 4.522 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -11.626 5.677 2.350 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -12.110 5.474 4.022 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -9.850 7.279 3.083 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -11.485 7.817 3.414 1.00 0.00 H new ATOM 947 N LYS A 165 -11.375 2.788 2.180 1.00 0.00 N ATOM 948 CA LYS A 165 -12.071 1.515 1.898 1.00 0.00 C ATOM 949 C LYS A 165 -11.277 0.296 2.388 1.00 0.00 C ATOM 950 O LYS A 165 -11.821 -0.577 3.062 1.00 0.00 O ATOM 951 CB LYS A 165 -12.344 1.434 0.386 1.00 0.00 C ATOM 952 CG LYS A 165 -13.171 0.203 -0.020 1.00 0.00 C ATOM 953 CD LYS A 165 -13.293 0.065 -1.545 1.00 0.00 C ATOM 954 CE LYS A 165 -13.967 1.245 -2.264 1.00 0.00 C ATOM 955 NZ LYS A 165 -15.398 1.402 -1.887 1.00 0.00 N ATOM 0 H LYS A 165 -11.227 3.355 1.345 1.00 0.00 H new ATOM 0 HA LYS A 165 -13.013 1.498 2.447 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -12.869 2.335 0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -11.393 1.416 -0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -12.708 -0.695 0.389 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -14.167 0.275 0.418 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -12.295 -0.069 -1.961 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -13.855 -0.842 -1.767 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -13.430 2.164 -2.029 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -13.893 1.100 -3.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -15.805 2.211 -2.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -15.919 0.537 -2.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -15.471 1.568 -0.863 1.00 0.00 H new ATOM 969 N VAL A 166 -9.985 0.269 2.070 1.00 0.00 N ATOM 970 CA VAL A 166 -9.024 -0.770 2.468 1.00 0.00 C ATOM 971 C VAL A 166 -8.805 -0.754 3.986 1.00 0.00 C ATOM 972 O VAL A 166 -8.901 -1.796 4.632 1.00 0.00 O ATOM 973 CB VAL A 166 -7.688 -0.557 1.726 1.00 0.00 C ATOM 974 CG1 VAL A 166 -6.641 -1.592 2.138 1.00 0.00 C ATOM 975 CG2 VAL A 166 -7.835 -0.659 0.202 1.00 0.00 C ATOM 0 H VAL A 166 -9.555 1.000 1.503 1.00 0.00 H new ATOM 0 HA VAL A 166 -9.429 -1.745 2.197 1.00 0.00 H new ATOM 0 HB VAL A 166 -7.372 0.449 2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -5.714 -1.409 1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -6.454 -1.514 3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 166 -7.007 -2.592 1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -6.865 -0.501 -0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -8.209 -1.648 -0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -8.536 0.099 -0.148 1.00 0.00 H new ATOM 985 N CYS A 167 -8.546 0.418 4.574 1.00 0.00 N ATOM 986 CA CYS A 167 -8.252 0.554 6.007 1.00 0.00 C ATOM 987 C CYS A 167 -9.425 0.198 6.937 1.00 0.00 C ATOM 988 O CYS A 167 -9.204 -0.353 8.015 1.00 0.00 O ATOM 989 CB CYS A 167 -7.721 1.963 6.303 1.00 0.00 C ATOM 990 SG CYS A 167 -6.016 2.104 5.689 1.00 0.00 S ATOM 0 H CYS A 167 -8.534 1.304 4.069 1.00 0.00 H new ATOM 0 HA CYS A 167 -7.484 -0.187 6.229 1.00 0.00 H new ATOM 0 HB2 CYS A 167 -8.355 2.711 5.826 1.00 0.00 H new ATOM 0 HB3 CYS A 167 -7.751 2.158 7.375 1.00 0.00 H new ATOM 0 HG CYS A 167 -6.032 2.509 4.454 1.00 0.00 H new ATOM 996 N GLU A 168 -10.672 0.458 6.526 1.00 0.00 N ATOM 997 CA GLU A 168 -11.878 0.071 7.278 1.00 0.00 C ATOM 998 C GLU A 168 -12.080 -1.455 7.395 1.00 0.00 C ATOM 999 O GLU A 168 -12.733 -1.921 8.332 1.00 0.00 O ATOM 1000 CB GLU A 168 -13.120 0.726 6.647 1.00 0.00 C ATOM 1001 CG GLU A 168 -13.255 2.227 6.967 1.00 0.00 C ATOM 1002 CD GLU A 168 -13.656 2.548 8.426 1.00 0.00 C ATOM 1003 OE1 GLU A 168 -13.971 1.630 9.222 1.00 0.00 O ATOM 1004 OE2 GLU A 168 -13.672 3.750 8.787 1.00 0.00 O ATOM 0 H GLU A 168 -10.877 0.947 5.655 1.00 0.00 H new ATOM 0 HA GLU A 168 -11.735 0.433 8.296 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -13.079 0.596 5.566 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -14.012 0.207 6.997 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -12.306 2.717 6.750 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -13.998 2.661 6.298 1.00 0.00 H new ATOM 1011 N ILE A 169 -11.500 -2.246 6.484 1.00 0.00 N ATOM 1012 CA ILE A 169 -11.500 -3.720 6.554 1.00 0.00 C ATOM 1013 C ILE A 169 -10.548 -4.227 7.655 1.00 0.00 C ATOM 1014 O ILE A 169 -10.844 -5.223 8.317 1.00 0.00 O ATOM 1015 CB ILE A 169 -11.171 -4.311 5.162 1.00 0.00 C ATOM 1016 CG1 ILE A 169 -12.299 -3.956 4.161 1.00 0.00 C ATOM 1017 CG2 ILE A 169 -10.978 -5.835 5.203 1.00 0.00 C ATOM 1018 CD1 ILE A 169 -11.890 -4.087 2.691 1.00 0.00 C ATOM 0 H ILE A 169 -11.011 -1.881 5.667 1.00 0.00 H new ATOM 0 HA ILE A 169 -12.496 -4.065 6.833 1.00 0.00 H new ATOM 0 HB ILE A 169 -10.228 -3.871 4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 169 -13.155 -4.604 4.349 1.00 0.00 H new ATOM 0 HG13 ILE A 169 -12.627 -2.933 4.347 1.00 0.00 H new ATOM 0 HG21 ILE A 169 -10.749 -6.200 4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 169 -10.155 -6.080 5.875 1.00 0.00 H new ATOM 0 HG23 ILE A 169 -11.892 -6.308 5.561 1.00 0.00 H new ATOM 0 HD11 ILE A 169 -12.733 -3.821 2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 169 -11.055 -3.418 2.485 1.00 0.00 H new ATOM 0 HD13 ILE A 169 -11.591 -5.115 2.487 1.00 0.00 H new ATOM 1030 N HIS A 170 -9.443 -3.504 7.888 1.00 0.00 N ATOM 1031 CA HIS A 170 -8.389 -3.714 8.906 1.00 0.00 C ATOM 1032 C HIS A 170 -7.549 -4.992 8.737 1.00 0.00 C ATOM 1033 O HIS A 170 -6.320 -4.917 8.740 1.00 0.00 O ATOM 1034 CB HIS A 170 -8.975 -3.577 10.323 1.00 0.00 C ATOM 1035 CG HIS A 170 -7.963 -3.435 11.443 1.00 0.00 C ATOM 1036 ND1 HIS A 170 -8.237 -3.664 12.797 1.00 0.00 N ATOM 1037 CD2 HIS A 170 -6.654 -3.057 11.327 1.00 0.00 C ATOM 1038 CE1 HIS A 170 -7.087 -3.432 13.456 1.00 0.00 C ATOM 1039 NE2 HIS A 170 -6.122 -3.069 12.596 1.00 0.00 N ATOM 0 H HIS A 170 -9.241 -2.681 7.320 1.00 0.00 H new ATOM 0 HA HIS A 170 -7.663 -2.918 8.743 1.00 0.00 H new ATOM 0 HB2 HIS A 170 -9.634 -2.709 10.341 1.00 0.00 H new ATOM 0 HB3 HIS A 170 -9.594 -4.451 10.526 1.00 0.00 H new ATOM 0 HD2 HIS A 170 -6.137 -2.799 10.415 1.00 0.00 H new ATOM 0 HE1 HIS A 170 -6.959 -3.525 14.524 1.00 0.00 H new ATOM 0 HE2 HIS A 170 -5.159 -2.841 12.841 1.00 0.00 H new ATOM 1047 N PHE A 171 -8.195 -6.143 8.544 1.00 0.00 N ATOM 1048 CA PHE A 171 -7.575 -7.440 8.260 1.00 0.00 C ATOM 1049 C PHE A 171 -7.878 -8.070 6.894 1.00 0.00 C ATOM 1050 O PHE A 171 -9.041 -8.290 6.549 1.00 0.00 O ATOM 1051 CB PHE A 171 -7.689 -8.416 9.437 1.00 0.00 C ATOM 1052 CG PHE A 171 -6.678 -8.179 10.542 1.00 0.00 C ATOM 1053 CD1 PHE A 171 -5.462 -8.890 10.545 1.00 0.00 C ATOM 1054 CD2 PHE A 171 -6.946 -7.248 11.564 1.00 0.00 C ATOM 1055 CE1 PHE A 171 -4.523 -8.677 11.569 1.00 0.00 C ATOM 1056 CE2 PHE A 171 -6.004 -7.033 12.587 1.00 0.00 C ATOM 1057 CZ PHE A 171 -4.794 -7.749 12.590 1.00 0.00 C ATOM 0 H PHE A 171 -9.213 -6.200 8.583 1.00 0.00 H new ATOM 0 HA PHE A 171 -6.519 -7.194 8.152 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -8.692 -8.345 9.857 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -7.570 -9.433 9.064 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -5.251 -9.600 9.759 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -7.876 -6.698 11.563 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -3.593 -9.226 11.572 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -6.210 -6.318 13.370 1.00 0.00 H new ATOM 0 HZ PHE A 171 -4.072 -7.586 13.377 1.00 0.00 H new ATOM 1067 N HIS A 172 -6.830 -8.383 6.129 1.00 0.00 N ATOM 1068 CA HIS A 172 -6.892 -8.814 4.727 1.00 0.00 C ATOM 1069 C HIS A 172 -6.213 -10.173 4.518 1.00 0.00 C ATOM 1070 O HIS A 172 -5.151 -10.430 5.077 1.00 0.00 O ATOM 1071 CB HIS A 172 -6.236 -7.740 3.845 1.00 0.00 C ATOM 1072 CG HIS A 172 -6.998 -6.438 3.765 1.00 0.00 C ATOM 1073 ND1 HIS A 172 -7.835 -6.062 2.710 1.00 0.00 N ATOM 1074 CD2 HIS A 172 -6.978 -5.429 4.685 1.00 0.00 C ATOM 1075 CE1 HIS A 172 -8.270 -4.826 3.008 1.00 0.00 C ATOM 1076 NE2 HIS A 172 -7.765 -4.422 4.183 1.00 0.00 N ATOM 0 H HIS A 172 -5.874 -8.342 6.482 1.00 0.00 H new ATOM 0 HA HIS A 172 -7.938 -8.936 4.446 1.00 0.00 H new ATOM 0 HB2 HIS A 172 -5.235 -7.537 4.227 1.00 0.00 H new ATOM 0 HB3 HIS A 172 -6.118 -8.139 2.837 1.00 0.00 H new ATOM 0 HD2 HIS A 172 -6.446 -5.424 5.625 1.00 0.00 H new ATOM 0 HE1 HIS A 172 -8.933 -4.240 2.388 1.00 0.00 H new ATOM 0 HE2 HIS A 172 -7.936 -3.520 4.628 1.00 0.00 H new ATOM 1084 N GLU A 173 -6.802 -11.045 3.702 1.00 0.00 N ATOM 1085 CA GLU A 173 -6.210 -12.332 3.305 1.00 0.00 C ATOM 1086 C GLU A 173 -5.283 -12.167 2.083 1.00 0.00 C ATOM 1087 O GLU A 173 -5.722 -11.679 1.040 1.00 0.00 O ATOM 1088 CB GLU A 173 -7.361 -13.318 3.026 1.00 0.00 C ATOM 1089 CG GLU A 173 -6.965 -14.747 2.620 1.00 0.00 C ATOM 1090 CD GLU A 173 -6.539 -15.639 3.804 1.00 0.00 C ATOM 1091 OE1 GLU A 173 -6.769 -16.871 3.732 1.00 0.00 O ATOM 1092 OE2 GLU A 173 -5.958 -15.135 4.791 1.00 0.00 O ATOM 0 H GLU A 173 -7.720 -10.879 3.288 1.00 0.00 H new ATOM 0 HA GLU A 173 -5.584 -12.722 4.108 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -7.981 -13.378 3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -7.983 -12.900 2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -7.807 -15.215 2.110 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -6.146 -14.696 1.903 1.00 0.00 H new ATOM 1099 N ILE A 174 -4.018 -12.596 2.194 1.00 0.00 N ATOM 1100 CA ILE A 174 -2.988 -12.562 1.134 1.00 0.00 C ATOM 1101 C ILE A 174 -2.194 -13.875 1.176 1.00 0.00 C ATOM 1102 O ILE A 174 -1.649 -14.218 2.221 1.00 0.00 O ATOM 1103 CB ILE A 174 -2.038 -11.345 1.315 1.00 0.00 C ATOM 1104 CG1 ILE A 174 -2.838 -10.021 1.313 1.00 0.00 C ATOM 1105 CG2 ILE A 174 -0.935 -11.359 0.236 1.00 0.00 C ATOM 1106 CD1 ILE A 174 -2.010 -8.736 1.190 1.00 0.00 C ATOM 0 H ILE A 174 -3.664 -12.995 3.063 1.00 0.00 H new ATOM 0 HA ILE A 174 -3.474 -12.454 0.164 1.00 0.00 H new ATOM 0 HB ILE A 174 -1.547 -11.421 2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 174 -3.550 -10.051 0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 174 -3.419 -9.969 2.234 1.00 0.00 H new ATOM 0 HG21 ILE A 174 -0.278 -10.501 0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 174 -0.355 -12.278 0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 174 -1.392 -11.308 -0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 174 -2.675 -7.872 1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 174 -1.316 -8.669 2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 174 -1.450 -8.752 0.255 1.00 0.00 H new ATOM 1118 N ASN A 175 -2.106 -14.618 0.064 1.00 0.00 N ATOM 1119 CA ASN A 175 -1.381 -15.903 -0.016 1.00 0.00 C ATOM 1120 C ASN A 175 -1.722 -16.885 1.138 1.00 0.00 C ATOM 1121 O ASN A 175 -0.836 -17.452 1.782 1.00 0.00 O ATOM 1122 CB ASN A 175 0.135 -15.658 -0.177 1.00 0.00 C ATOM 1123 CG ASN A 175 0.578 -15.133 -1.533 1.00 0.00 C ATOM 1124 OD1 ASN A 175 -0.140 -15.125 -2.522 1.00 0.00 O ATOM 1125 ND2 ASN A 175 1.822 -14.732 -1.607 1.00 0.00 N ATOM 0 H ASN A 175 -2.540 -14.344 -0.818 1.00 0.00 H new ATOM 0 HA ASN A 175 -1.732 -16.415 -0.912 1.00 0.00 H new ATOM 0 HB2 ASN A 175 0.453 -14.949 0.588 1.00 0.00 H new ATOM 0 HB3 ASN A 175 0.658 -16.594 0.018 1.00 0.00 H new ATOM 0 HD21 ASN A 175 2.201 -14.408 -2.497 1.00 0.00 H new ATOM 0 HD22 ASN A 175 2.412 -14.743 -0.775 1.00 0.00 H new ATOM 1132 N ASN A 176 -3.017 -17.021 1.455 1.00 0.00 N ATOM 1133 CA ASN A 176 -3.570 -17.771 2.597 1.00 0.00 C ATOM 1134 C ASN A 176 -2.996 -17.403 3.995 1.00 0.00 C ATOM 1135 O ASN A 176 -2.948 -18.245 4.898 1.00 0.00 O ATOM 1136 CB ASN A 176 -3.674 -19.283 2.296 1.00 0.00 C ATOM 1137 CG ASN A 176 -2.349 -20.015 2.143 1.00 0.00 C ATOM 1138 OD1 ASN A 176 -1.948 -20.411 1.056 1.00 0.00 O ATOM 1139 ND2 ASN A 176 -1.667 -20.282 3.233 1.00 0.00 N ATOM 0 H ASN A 176 -3.749 -16.588 0.892 1.00 0.00 H new ATOM 0 HA ASN A 176 -4.596 -17.418 2.704 1.00 0.00 H new ATOM 0 HB2 ASN A 176 -4.240 -19.757 3.098 1.00 0.00 H new ATOM 0 HB3 ASN A 176 -4.249 -19.414 1.379 1.00 0.00 H new ATOM 0 HD21 ASN A 176 -0.802 -20.820 3.175 1.00 0.00 H new ATOM 0 HD22 ASN A 176 -2.002 -19.952 4.138 1.00 0.00 H new ATOM 1146 N LYS A 177 -2.562 -16.147 4.174 1.00 0.00 N ATOM 1147 CA LYS A 177 -2.088 -15.536 5.428 1.00 0.00 C ATOM 1148 C LYS A 177 -2.848 -14.225 5.689 1.00 0.00 C ATOM 1149 O LYS A 177 -3.020 -13.418 4.774 1.00 0.00 O ATOM 1150 CB LYS A 177 -0.562 -15.324 5.313 1.00 0.00 C ATOM 1151 CG LYS A 177 0.122 -14.642 6.511 1.00 0.00 C ATOM 1152 CD LYS A 177 0.074 -15.427 7.831 1.00 0.00 C ATOM 1153 CE LYS A 177 0.743 -16.806 7.720 1.00 0.00 C ATOM 1154 NZ LYS A 177 0.752 -17.517 9.026 1.00 0.00 N ATOM 0 H LYS A 177 -2.530 -15.487 3.397 1.00 0.00 H new ATOM 0 HA LYS A 177 -2.282 -16.185 6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 177 -0.092 -16.295 5.158 1.00 0.00 H new ATOM 0 HB3 LYS A 177 -0.365 -14.728 4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 177 1.165 -14.457 6.255 1.00 0.00 H new ATOM 0 HG3 LYS A 177 -0.344 -13.670 6.669 1.00 0.00 H new ATOM 0 HD2 LYS A 177 0.568 -14.849 8.612 1.00 0.00 H new ATOM 0 HD3 LYS A 177 -0.964 -15.554 8.137 1.00 0.00 H new ATOM 0 HE2 LYS A 177 0.215 -17.409 6.981 1.00 0.00 H new ATOM 0 HE3 LYS A 177 1.766 -16.687 7.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 1.211 -18.444 8.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 1.277 -16.953 9.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 -0.225 -17.652 9.354 1.00 0.00 H new ATOM 1168 N MET A 178 -3.287 -13.988 6.927 1.00 0.00 N ATOM 1169 CA MET A 178 -3.983 -12.751 7.300 1.00 0.00 C ATOM 1170 C MET A 178 -2.990 -11.650 7.680 1.00 0.00 C ATOM 1171 O MET A 178 -2.072 -11.881 8.470 1.00 0.00 O ATOM 1172 CB MET A 178 -5.006 -12.990 8.420 1.00 0.00 C ATOM 1173 CG MET A 178 -6.162 -13.871 7.928 1.00 0.00 C ATOM 1174 SD MET A 178 -7.555 -14.050 9.077 1.00 0.00 S ATOM 1175 CE MET A 178 -8.305 -12.405 8.921 1.00 0.00 C ATOM 0 H MET A 178 -3.171 -14.645 7.698 1.00 0.00 H new ATOM 0 HA MET A 178 -4.536 -12.413 6.424 1.00 0.00 H new ATOM 0 HB2 MET A 178 -4.516 -13.467 9.269 1.00 0.00 H new ATOM 0 HB3 MET A 178 -5.396 -12.035 8.772 1.00 0.00 H new ATOM 0 HG2 MET A 178 -6.537 -13.458 6.992 1.00 0.00 H new ATOM 0 HG3 MET A 178 -5.769 -14.863 7.704 1.00 0.00 H new ATOM 0 HE1 MET A 178 -9.354 -12.454 9.212 1.00 0.00 H new ATOM 0 HE2 MET A 178 -7.781 -11.703 9.570 1.00 0.00 H new ATOM 0 HE3 MET A 178 -8.231 -12.068 7.887 1.00 0.00 H new ATOM 1185 N VAL A 179 -3.197 -10.451 7.134 1.00 0.00 N ATOM 1186 CA VAL A 179 -2.348 -9.266 7.323 1.00 0.00 C ATOM 1187 C VAL A 179 -3.135 -8.046 7.775 1.00 0.00 C ATOM 1188 O VAL A 179 -4.321 -7.909 7.479 1.00 0.00 O ATOM 1189 CB VAL A 179 -1.499 -8.934 6.081 1.00 0.00 C ATOM 1190 CG1 VAL A 179 -0.740 -10.165 5.598 1.00 0.00 C ATOM 1191 CG2 VAL A 179 -2.291 -8.346 4.908 1.00 0.00 C ATOM 0 H VAL A 179 -3.992 -10.268 6.522 1.00 0.00 H new ATOM 0 HA VAL A 179 -1.662 -9.533 8.127 1.00 0.00 H new ATOM 0 HB VAL A 179 -0.808 -8.160 6.415 1.00 0.00 H new ATOM 0 HG11 VAL A 179 -0.148 -9.906 4.720 1.00 0.00 H new ATOM 0 HG12 VAL A 179 -0.080 -10.519 6.390 1.00 0.00 H new ATOM 0 HG13 VAL A 179 -1.449 -10.951 5.338 1.00 0.00 H new ATOM 0 HG21 VAL A 179 -1.615 -8.143 4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 179 -3.052 -9.058 4.590 1.00 0.00 H new ATOM 0 HG23 VAL A 179 -2.770 -7.418 5.221 1.00 0.00 H new ATOM 1201 N GLU A 180 -2.457 -7.144 8.477 1.00 0.00 N ATOM 1202 CA GLU A 180 -3.047 -5.908 9.003 1.00 0.00 C ATOM 1203 C GLU A 180 -2.694 -4.689 8.138 1.00 0.00 C ATOM 1204 O GLU A 180 -1.510 -4.412 7.924 1.00 0.00 O ATOM 1205 CB GLU A 180 -2.572 -5.686 10.448 1.00 0.00 C ATOM 1206 CG GLU A 180 -3.381 -4.567 11.122 1.00 0.00 C ATOM 1207 CD GLU A 180 -2.799 -4.085 12.459 1.00 0.00 C ATOM 1208 OE1 GLU A 180 -1.804 -4.651 12.968 1.00 0.00 O ATOM 1209 OE2 GLU A 180 -3.303 -3.065 12.989 1.00 0.00 O ATOM 0 H GLU A 180 -1.468 -7.248 8.702 1.00 0.00 H new ATOM 0 HA GLU A 180 -4.131 -6.018 8.982 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -2.677 -6.610 11.016 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -1.513 -5.428 10.452 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -3.445 -3.719 10.440 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -4.399 -4.920 11.288 1.00 0.00 H new ATOM 1216 N CYS A 181 -3.697 -3.930 7.681 1.00 0.00 N ATOM 1217 CA CYS A 181 -3.498 -2.609 7.072 1.00 0.00 C ATOM 1218 C CYS A 181 -3.548 -1.487 8.129 1.00 0.00 C ATOM 1219 O CYS A 181 -4.417 -1.491 9.006 1.00 0.00 O ATOM 1220 CB CYS A 181 -4.495 -2.359 5.927 1.00 0.00 C ATOM 1221 SG CYS A 181 -6.207 -2.521 6.490 1.00 0.00 S ATOM 0 H CYS A 181 -4.675 -4.216 7.723 1.00 0.00 H new ATOM 0 HA CYS A 181 -2.499 -2.597 6.636 1.00 0.00 H new ATOM 0 HB2 CYS A 181 -4.338 -1.361 5.518 1.00 0.00 H new ATOM 0 HB3 CYS A 181 -4.308 -3.067 5.119 1.00 0.00 H new ATOM 0 HG CYS A 181 -7.011 -2.081 5.568 1.00 0.00 H new ATOM 1227 N LYS A 182 -2.663 -0.490 8.017 1.00 0.00 N ATOM 1228 CA LYS A 182 -2.695 0.759 8.811 1.00 0.00 C ATOM 1229 C LYS A 182 -2.419 1.949 7.890 1.00 0.00 C ATOM 1230 O LYS A 182 -1.583 1.831 6.997 1.00 0.00 O ATOM 1231 CB LYS A 182 -1.641 0.755 9.942 1.00 0.00 C ATOM 1232 CG LYS A 182 -1.487 -0.525 10.781 1.00 0.00 C ATOM 1233 CD LYS A 182 -0.262 -0.358 11.697 1.00 0.00 C ATOM 1234 CE LYS A 182 0.086 -1.622 12.488 1.00 0.00 C ATOM 1235 NZ LYS A 182 -0.855 -1.878 13.607 1.00 0.00 N ATOM 0 H LYS A 182 -1.884 -0.523 7.359 1.00 0.00 H new ATOM 0 HA LYS A 182 -3.683 0.836 9.266 1.00 0.00 H new ATOM 0 HB2 LYS A 182 -0.672 0.981 9.496 1.00 0.00 H new ATOM 0 HB3 LYS A 182 -1.878 1.573 10.622 1.00 0.00 H new ATOM 0 HG2 LYS A 182 -2.384 -0.700 11.375 1.00 0.00 H new ATOM 0 HG3 LYS A 182 -1.360 -1.391 10.132 1.00 0.00 H new ATOM 0 HD2 LYS A 182 0.598 -0.069 11.092 1.00 0.00 H new ATOM 0 HD3 LYS A 182 -0.449 0.458 12.395 1.00 0.00 H new ATOM 0 HE2 LYS A 182 0.084 -2.479 11.814 1.00 0.00 H new ATOM 0 HE3 LYS A 182 1.097 -1.530 12.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 -0.645 -2.803 14.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 -0.750 -1.134 14.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 -1.831 -1.876 13.247 1.00 0.00 H new ATOM 1249 N LYS A 183 -3.033 3.114 8.122 1.00 0.00 N ATOM 1250 CA LYS A 183 -2.653 4.362 7.423 1.00 0.00 C ATOM 1251 C LYS A 183 -1.199 4.718 7.752 1.00 0.00 C ATOM 1252 O LYS A 183 -0.816 4.696 8.924 1.00 0.00 O ATOM 1253 CB LYS A 183 -3.608 5.510 7.788 1.00 0.00 C ATOM 1254 CG LYS A 183 -5.024 5.262 7.246 1.00 0.00 C ATOM 1255 CD LYS A 183 -6.008 6.328 7.738 1.00 0.00 C ATOM 1256 CE LYS A 183 -7.411 5.987 7.226 1.00 0.00 C ATOM 1257 NZ LYS A 183 -8.430 6.932 7.738 1.00 0.00 N ATOM 0 H LYS A 183 -3.797 3.226 8.788 1.00 0.00 H new ATOM 0 HA LYS A 183 -2.735 4.204 6.348 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -3.647 5.621 8.872 1.00 0.00 H new ATOM 0 HB3 LYS A 183 -3.223 6.447 7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 183 -5.002 5.260 6.156 1.00 0.00 H new ATOM 0 HG3 LYS A 183 -5.367 4.276 7.559 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -6.005 6.369 8.827 1.00 0.00 H new ATOM 0 HD3 LYS A 183 -5.706 7.313 7.381 1.00 0.00 H new ATOM 0 HE2 LYS A 183 -7.414 6.005 6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 183 -7.672 4.973 7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -9.366 6.667 7.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -8.445 6.897 8.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 -8.196 7.897 7.428 1.00 0.00 H new ATOM 1271 N ALA A 184 -0.378 5.002 6.740 1.00 0.00 N ATOM 1272 CA ALA A 184 1.056 5.197 6.950 1.00 0.00 C ATOM 1273 C ALA A 184 1.363 6.500 7.713 1.00 0.00 C ATOM 1274 O ALA A 184 0.744 7.538 7.465 1.00 0.00 O ATOM 1275 CB ALA A 184 1.800 5.122 5.615 1.00 0.00 C ATOM 0 H ALA A 184 -0.680 5.102 5.771 1.00 0.00 H new ATOM 0 HA ALA A 184 1.416 4.388 7.585 1.00 0.00 H new ATOM 0 HB1 ALA A 184 2.867 5.269 5.784 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.636 4.145 5.161 1.00 0.00 H new ATOM 0 HB3 ALA A 184 1.428 5.899 4.947 1.00 0.00 H new