USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 890 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 35 HIS : no HD1:sc= -4.43! C(o=-3.8!,f=-3.4!) USER MOD Set 1.2: A 122 GLN : amide:sc= 0.314 X(o=-3.8,f=-4.1) USER MOD Set 1.3: A 124 TYR OH : rot 34:sc= 0.347 USER MOD Set 2.1: A 117 TYR OH : rot -96:sc= 0.203 USER MOD Set 2.2: A 119 CYS SG : rot -80:sc= -0.871 USER MOD Set 2.3: A 120 ASN :FLIP amide:sc= -0.396 F(o=-1.8,f=-1.1) USER MOD Set 3.1: A 40 ASN : amide:sc= 0.785 K(o=1.8,f=-3.2) USER MOD Set 3.2: A 51 THR OG1 : rot -78:sc= 1.05 USER MOD Single : A 12 SER OG : rot -23:sc= 0.0756 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.866 K(o=-0.87,f=-6.3!) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0439 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN :FLIP amide:sc= -0.964 F(o=-2.1!,f=-0.96) USER MOD Single : A 32 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.0085) USER MOD Single : A 37 CYS SG : rot -124:sc= 0.0966 USER MOD Single : A 41 CYS SG : rot 172:sc= -0.185 USER MOD Single : A 44 LYS NZ :NH3+ -129:sc= 0 (180deg=-1.29) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.344 K(o=-0.34,f=-2.2!) USER MOD Single : A 56 ASN : amide:sc= 0.0862 K(o=0.086,f=-1.4!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 141:sc= -0.675 (180deg=-3.56!) USER MOD Single : A 67 MET CE :methyl -176:sc= -1.76 (180deg=-2!) USER MOD Single : A 68 THR OG1 : rot 120:sc= -0.175 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 102:sc= -2.04 USER MOD Single : A 81 GLN : amide:sc= -0.0459 K(o=-0.046,f=-0.6) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 96 SER OG : rot 170:sc= -1.48 USER MOD Single : A 100 SER OG : rot 26:sc= 0.153 USER MOD Single : A 111 MET CE :methyl 140:sc= -0.0979 (180deg=-0.552) USER MOD Single : A 116 TYR OH : rot -62:sc= 0.459 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 59:sc= 1.07 USER MOD Single : A 128 ASN : amide:sc= -2.12! C(o=-2.1!,f=-2.5!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc= -0.713 K(o=-0.71,f=-2.1!) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N SER A 12 -0.098 13.158 -12.625 1.00 0.00 N ATOM 118 CA SER A 12 -0.038 11.825 -12.036 1.00 0.00 C ATOM 119 C SER A 12 0.892 11.807 -10.827 1.00 0.00 C ATOM 120 O SER A 12 1.707 12.710 -10.642 1.00 0.00 O ATOM 121 CB SER A 12 0.438 10.807 -13.075 1.00 0.00 C ATOM 122 OG SER A 12 1.701 11.171 -13.604 1.00 0.00 O ATOM 0 HA SER A 12 -1.041 11.555 -11.705 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.502 9.819 -12.618 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.292 10.738 -13.882 1.00 0.00 H new ATOM 0 HG SER A 12 1.837 12.135 -13.491 1.00 0.00 H new ATOM 128 N PHE A 13 0.763 10.770 -10.005 1.00 0.00 N ATOM 129 CA PHE A 13 1.590 10.633 -8.812 1.00 0.00 C ATOM 130 C PHE A 13 2.393 9.336 -8.854 1.00 0.00 C ATOM 131 O PHE A 13 2.171 8.482 -9.712 1.00 0.00 O ATOM 132 CB PHE A 13 0.718 10.665 -7.555 1.00 0.00 C ATOM 133 CG PHE A 13 0.035 11.984 -7.333 1.00 0.00 C ATOM 134 CD1 PHE A 13 -0.880 12.469 -8.255 1.00 0.00 C ATOM 135 CD2 PHE A 13 0.306 12.739 -6.204 1.00 0.00 C ATOM 136 CE1 PHE A 13 -1.509 13.683 -8.054 1.00 0.00 C ATOM 137 CE2 PHE A 13 -0.321 13.953 -5.997 1.00 0.00 C ATOM 138 CZ PHE A 13 -1.230 14.425 -6.923 1.00 0.00 C ATOM 0 H PHE A 13 0.094 10.013 -10.144 1.00 0.00 H new ATOM 0 HA PHE A 13 2.286 11.471 -8.784 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.037 9.882 -7.626 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.336 10.435 -6.687 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.104 11.892 -9.140 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.016 12.375 -5.476 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.218 14.051 -8.781 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.100 14.532 -5.112 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.722 15.373 -6.763 1.00 0.00 H new ATOM 148 N VAL A 14 3.330 9.197 -7.920 1.00 0.00 N ATOM 149 CA VAL A 14 4.167 8.005 -7.849 1.00 0.00 C ATOM 150 C VAL A 14 4.314 7.523 -6.411 1.00 0.00 C ATOM 151 O VAL A 14 3.771 8.124 -5.483 1.00 0.00 O ATOM 152 CB VAL A 14 5.566 8.267 -8.437 1.00 0.00 C ATOM 153 CG1 VAL A 14 5.504 8.332 -9.956 1.00 0.00 C ATOM 154 CG2 VAL A 14 6.154 9.547 -7.864 1.00 0.00 C ATOM 0 H VAL A 14 3.528 9.895 -7.203 1.00 0.00 H new ATOM 0 HA VAL A 14 3.672 7.234 -8.439 1.00 0.00 H new ATOM 0 HB VAL A 14 6.218 7.439 -8.159 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.502 8.518 -10.353 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.129 7.386 -10.346 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.837 9.139 -10.259 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.143 9.716 -8.291 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.504 10.387 -8.109 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.237 9.456 -6.781 1.00 0.00 H new ATOM 164 N LEU A 15 5.053 6.433 -6.231 1.00 0.00 N ATOM 165 CA LEU A 15 5.273 5.868 -4.904 1.00 0.00 C ATOM 166 C LEU A 15 6.654 6.243 -4.375 1.00 0.00 C ATOM 167 O LEU A 15 7.663 6.045 -5.052 1.00 0.00 O ATOM 168 CB LEU A 15 5.126 4.346 -4.945 1.00 0.00 C ATOM 169 CG LEU A 15 3.911 3.810 -5.703 1.00 0.00 C ATOM 170 CD1 LEU A 15 4.217 2.448 -6.307 1.00 0.00 C ATOM 171 CD2 LEU A 15 2.702 3.728 -4.782 1.00 0.00 C ATOM 0 H LEU A 15 5.510 5.923 -6.987 1.00 0.00 H new ATOM 0 HA LEU A 15 4.522 6.281 -4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.025 3.926 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.082 3.977 -3.920 1.00 0.00 H new ATOM 0 HG LEU A 15 3.679 4.500 -6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.341 2.082 -6.843 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.054 2.537 -6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.475 1.748 -5.513 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.846 3.345 -5.338 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.923 3.060 -3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.469 4.721 -4.398 1.00 0.00 H new ATOM 183 N ASP A 16 6.691 6.782 -3.162 1.00 0.00 N ATOM 184 CA ASP A 16 7.948 7.181 -2.540 1.00 0.00 C ATOM 185 C ASP A 16 8.578 6.012 -1.788 1.00 0.00 C ATOM 186 O ASP A 16 9.303 6.207 -0.813 1.00 0.00 O ATOM 187 CB ASP A 16 7.720 8.354 -1.586 1.00 0.00 C ATOM 188 CG ASP A 16 9.002 9.098 -1.266 1.00 0.00 C ATOM 189 OD1 ASP A 16 9.840 8.543 -0.524 1.00 0.00 O ATOM 190 OD2 ASP A 16 9.167 10.234 -1.756 1.00 0.00 O ATOM 0 H ASP A 16 5.864 6.953 -2.589 1.00 0.00 H new ATOM 0 HA ASP A 16 8.632 7.493 -3.329 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.003 9.045 -2.030 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.277 7.985 -0.661 1.00 0.00 H new ATOM 195 N PHE A 17 8.294 4.798 -2.248 1.00 0.00 N ATOM 196 CA PHE A 17 8.831 3.597 -1.618 1.00 0.00 C ATOM 197 C PHE A 17 8.906 2.446 -2.617 1.00 0.00 C ATOM 198 O PHE A 17 8.093 2.353 -3.536 1.00 0.00 O ATOM 199 CB PHE A 17 7.966 3.193 -0.422 1.00 0.00 C ATOM 200 CG PHE A 17 6.524 2.966 -0.775 1.00 0.00 C ATOM 201 CD1 PHE A 17 5.629 4.024 -0.805 1.00 0.00 C ATOM 202 CD2 PHE A 17 6.062 1.695 -1.076 1.00 0.00 C ATOM 203 CE1 PHE A 17 4.302 3.818 -1.129 1.00 0.00 C ATOM 204 CE2 PHE A 17 4.735 1.483 -1.400 1.00 0.00 C ATOM 205 CZ PHE A 17 3.854 2.546 -1.428 1.00 0.00 C ATOM 0 H PHE A 17 7.695 4.620 -3.054 1.00 0.00 H new ATOM 0 HA PHE A 17 9.840 3.819 -1.270 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.372 2.282 0.019 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.027 3.970 0.340 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.973 5.021 -0.572 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.747 0.860 -1.057 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.615 4.651 -1.149 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.388 0.487 -1.631 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.817 2.383 -1.683 1.00 0.00 H new ATOM 215 N SER A 18 9.890 1.572 -2.429 1.00 0.00 N ATOM 216 CA SER A 18 10.076 0.429 -3.316 1.00 0.00 C ATOM 217 C SER A 18 9.069 -0.673 -3.000 1.00 0.00 C ATOM 218 O SER A 18 8.774 -0.943 -1.836 1.00 0.00 O ATOM 219 CB SER A 18 11.500 -0.115 -3.190 1.00 0.00 C ATOM 220 OG SER A 18 11.775 -0.522 -1.860 1.00 0.00 O ATOM 0 H SER A 18 10.570 1.633 -1.671 1.00 0.00 H new ATOM 0 HA SER A 18 9.912 0.765 -4.340 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.631 -0.960 -3.867 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.213 0.651 -3.494 1.00 0.00 H new ATOM 0 HG SER A 18 12.691 -0.867 -1.806 1.00 0.00 H new ATOM 226 N GLN A 19 8.545 -1.304 -4.045 1.00 0.00 N ATOM 227 CA GLN A 19 7.570 -2.376 -3.880 1.00 0.00 C ATOM 228 C GLN A 19 8.076 -3.425 -2.895 1.00 0.00 C ATOM 229 O GLN A 19 9.253 -3.788 -2.887 1.00 0.00 O ATOM 230 CB GLN A 19 7.267 -3.031 -5.229 1.00 0.00 C ATOM 231 CG GLN A 19 6.919 -2.036 -6.324 1.00 0.00 C ATOM 232 CD GLN A 19 5.860 -1.041 -5.892 1.00 0.00 C ATOM 233 OE1 GLN A 19 6.075 0.171 -5.937 1.00 0.00 O ATOM 234 NE2 GLN A 19 4.707 -1.548 -5.470 1.00 0.00 N ATOM 0 H GLN A 19 8.779 -1.092 -5.015 1.00 0.00 H new ATOM 0 HA GLN A 19 6.654 -1.941 -3.481 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.132 -3.615 -5.542 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.438 -3.729 -5.107 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.819 -1.497 -6.620 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.568 -2.577 -7.203 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.572 -2.559 -5.449 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.957 -0.927 -5.167 1.00 0.00 H new ATOM 243 N PRO A 20 7.169 -3.923 -2.042 1.00 0.00 N ATOM 244 CA PRO A 20 7.500 -4.937 -1.037 1.00 0.00 C ATOM 245 C PRO A 20 7.804 -6.295 -1.661 1.00 0.00 C ATOM 246 O PRO A 20 8.802 -6.933 -1.327 1.00 0.00 O ATOM 247 CB PRO A 20 6.234 -5.013 -0.179 1.00 0.00 C ATOM 248 CG PRO A 20 5.138 -4.563 -1.082 1.00 0.00 C ATOM 249 CD PRO A 20 5.749 -3.536 -1.995 1.00 0.00 C ATOM 0 HA PRO A 20 8.397 -4.676 -0.475 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.060 -6.027 0.181 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.312 -4.372 0.699 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.733 -5.400 -1.651 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.313 -4.137 -0.512 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.294 -3.557 -2.985 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.620 -2.526 -1.607 1.00 0.00 H new ATOM 257 N SER A 21 6.936 -6.731 -2.568 1.00 0.00 N ATOM 258 CA SER A 21 7.110 -8.015 -3.237 1.00 0.00 C ATOM 259 C SER A 21 8.555 -8.199 -3.692 1.00 0.00 C ATOM 260 O SER A 21 9.110 -9.294 -3.606 1.00 0.00 O ATOM 261 CB SER A 21 6.168 -8.121 -4.437 1.00 0.00 C ATOM 262 OG SER A 21 6.665 -7.388 -5.542 1.00 0.00 O ATOM 0 H SER A 21 6.105 -6.214 -2.857 1.00 0.00 H new ATOM 0 HA SER A 21 6.868 -8.804 -2.524 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.046 -9.168 -4.716 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.181 -7.747 -4.163 1.00 0.00 H new ATOM 0 HG SER A 21 6.045 -7.473 -6.297 1.00 0.00 H new ATOM 268 N ALA A 22 9.158 -7.119 -4.177 1.00 0.00 N ATOM 269 CA ALA A 22 10.538 -7.159 -4.645 1.00 0.00 C ATOM 270 C ALA A 22 11.369 -8.135 -3.819 1.00 0.00 C ATOM 271 O ALA A 22 12.162 -8.904 -4.362 1.00 0.00 O ATOM 272 CB ALA A 22 11.152 -5.768 -4.597 1.00 0.00 C ATOM 0 H ALA A 22 8.712 -6.205 -4.256 1.00 0.00 H new ATOM 0 HA ALA A 22 10.536 -7.508 -5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.183 -5.813 -4.949 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.579 -5.095 -5.235 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.135 -5.398 -3.572 1.00 0.00 H new ATOM 278 N ASP A 23 11.182 -8.098 -2.504 1.00 0.00 N ATOM 279 CA ASP A 23 11.915 -8.980 -1.603 1.00 0.00 C ATOM 280 C ASP A 23 11.025 -10.118 -1.114 1.00 0.00 C ATOM 281 O ASP A 23 10.294 -9.971 -0.135 1.00 0.00 O ATOM 282 CB ASP A 23 12.456 -8.190 -0.410 1.00 0.00 C ATOM 283 CG ASP A 23 13.360 -7.049 -0.833 1.00 0.00 C ATOM 284 OD1 ASP A 23 12.839 -5.946 -1.097 1.00 0.00 O ATOM 285 OD2 ASP A 23 14.590 -7.261 -0.902 1.00 0.00 O ATOM 0 H ASP A 23 10.529 -7.467 -2.039 1.00 0.00 H new ATOM 0 HA ASP A 23 12.752 -9.409 -2.155 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.621 -7.793 0.168 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.008 -8.862 0.247 1.00 0.00 H new ATOM 290 N TYR A 24 11.092 -11.252 -1.803 1.00 0.00 N ATOM 291 CA TYR A 24 10.289 -12.414 -1.441 1.00 0.00 C ATOM 292 C TYR A 24 10.462 -12.757 0.035 1.00 0.00 C ATOM 293 O TYR A 24 9.485 -12.882 0.774 1.00 0.00 O ATOM 294 CB TYR A 24 10.677 -13.617 -2.304 1.00 0.00 C ATOM 295 CG TYR A 24 9.651 -14.727 -2.292 1.00 0.00 C ATOM 296 CD1 TYR A 24 8.438 -14.585 -2.954 1.00 0.00 C ATOM 297 CD2 TYR A 24 9.894 -15.917 -1.617 1.00 0.00 C ATOM 298 CE1 TYR A 24 7.497 -15.597 -2.945 1.00 0.00 C ATOM 299 CE2 TYR A 24 8.959 -16.934 -1.604 1.00 0.00 C ATOM 300 CZ TYR A 24 7.762 -16.769 -2.269 1.00 0.00 C ATOM 301 OH TYR A 24 6.828 -17.780 -2.257 1.00 0.00 O ATOM 0 H TYR A 24 11.694 -11.391 -2.615 1.00 0.00 H new ATOM 0 HA TYR A 24 9.242 -12.170 -1.619 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.827 -13.284 -3.331 1.00 0.00 H new ATOM 0 HB3 TYR A 24 11.631 -14.012 -1.954 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.227 -13.668 -3.485 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.829 -16.049 -1.094 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.559 -15.470 -3.465 1.00 0.00 H new ATOM 0 HE2 TYR A 24 9.164 -17.853 -1.076 1.00 0.00 H new ATOM 0 HH TYR A 24 7.171 -18.537 -1.737 1.00 0.00 H new ATOM 311 N LEU A 25 11.712 -12.908 0.458 1.00 0.00 N ATOM 312 CA LEU A 25 12.016 -13.235 1.847 1.00 0.00 C ATOM 313 C LEU A 25 11.587 -12.107 2.779 1.00 0.00 C ATOM 314 O LEU A 25 10.689 -12.277 3.604 1.00 0.00 O ATOM 315 CB LEU A 25 13.512 -13.508 2.012 1.00 0.00 C ATOM 316 CG LEU A 25 13.956 -14.958 1.816 1.00 0.00 C ATOM 317 CD1 LEU A 25 13.340 -15.853 2.880 1.00 0.00 C ATOM 318 CD2 LEU A 25 13.583 -15.446 0.424 1.00 0.00 C ATOM 0 H LEU A 25 12.532 -12.809 -0.141 1.00 0.00 H new ATOM 0 HA LEU A 25 11.458 -14.133 2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.055 -12.884 1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.811 -13.189 3.011 1.00 0.00 H new ATOM 0 HG LEU A 25 15.040 -15.003 1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 25 13.667 -16.881 2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.657 -15.516 3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.253 -15.804 2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.907 -16.480 0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.502 -15.386 0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.073 -14.822 -0.324 1.00 0.00 H new ATOM 330 N ASP A 26 12.233 -10.954 2.640 1.00 0.00 N ATOM 331 CA ASP A 26 11.916 -9.796 3.468 1.00 0.00 C ATOM 332 C ASP A 26 10.413 -9.537 3.488 1.00 0.00 C ATOM 333 O ASP A 26 9.894 -8.901 4.406 1.00 0.00 O ATOM 334 CB ASP A 26 12.653 -8.558 2.953 1.00 0.00 C ATOM 335 CG ASP A 26 12.513 -7.372 3.886 1.00 0.00 C ATOM 336 OD1 ASP A 26 11.365 -6.986 4.188 1.00 0.00 O ATOM 337 OD2 ASP A 26 13.553 -6.828 4.314 1.00 0.00 O ATOM 0 H ASP A 26 12.979 -10.797 1.962 1.00 0.00 H new ATOM 0 HA ASP A 26 12.243 -10.007 4.486 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.710 -8.794 2.826 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.266 -8.291 1.970 1.00 0.00 H new ATOM 342 N PHE A 27 9.719 -10.033 2.469 1.00 0.00 N ATOM 343 CA PHE A 27 8.275 -9.854 2.369 1.00 0.00 C ATOM 344 C PHE A 27 7.538 -10.908 3.190 1.00 0.00 C ATOM 345 O PHE A 27 6.803 -10.581 4.123 1.00 0.00 O ATOM 346 CB PHE A 27 7.831 -9.928 0.907 1.00 0.00 C ATOM 347 CG PHE A 27 6.347 -10.089 0.738 1.00 0.00 C ATOM 348 CD1 PHE A 27 5.765 -11.346 0.769 1.00 0.00 C ATOM 349 CD2 PHE A 27 5.534 -8.983 0.548 1.00 0.00 C ATOM 350 CE1 PHE A 27 4.399 -11.497 0.615 1.00 0.00 C ATOM 351 CE2 PHE A 27 4.169 -9.128 0.394 1.00 0.00 C ATOM 352 CZ PHE A 27 3.601 -10.386 0.426 1.00 0.00 C ATOM 0 H PHE A 27 10.133 -10.562 1.701 1.00 0.00 H new ATOM 0 HA PHE A 27 8.028 -8.870 2.768 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.151 -9.022 0.392 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.336 -10.764 0.424 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.385 -12.218 0.915 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.973 -7.996 0.520 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.957 -12.482 0.643 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.546 -8.258 0.249 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.534 -10.501 0.303 1.00 0.00 H new ATOM 362 N ARG A 28 7.739 -12.173 2.836 1.00 0.00 N ATOM 363 CA ARG A 28 7.092 -13.274 3.538 1.00 0.00 C ATOM 364 C ARG A 28 7.317 -13.166 5.044 1.00 0.00 C ATOM 365 O ARG A 28 6.463 -13.557 5.838 1.00 0.00 O ATOM 366 CB ARG A 28 7.624 -14.615 3.028 1.00 0.00 C ATOM 367 CG ARG A 28 8.939 -15.031 3.666 1.00 0.00 C ATOM 368 CD ARG A 28 9.263 -16.488 3.375 1.00 0.00 C ATOM 369 NE ARG A 28 8.721 -17.383 4.394 1.00 0.00 N ATOM 370 CZ ARG A 28 9.148 -18.627 4.582 1.00 0.00 C ATOM 371 NH1 ARG A 28 10.117 -19.120 3.824 1.00 0.00 N ATOM 372 NH2 ARG A 28 8.605 -19.380 5.530 1.00 0.00 N ATOM 0 H ARG A 28 8.345 -12.461 2.067 1.00 0.00 H new ATOM 0 HA ARG A 28 6.021 -13.217 3.342 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.878 -15.387 3.216 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.757 -14.556 1.948 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.743 -14.397 3.292 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.887 -14.877 4.744 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.859 -16.762 2.400 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.344 -16.615 3.319 1.00 0.00 H new ATOM 0 HE ARG A 28 7.974 -17.034 4.994 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.537 -18.544 3.094 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.443 -20.075 3.970 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.859 -19.004 6.115 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.934 -20.335 5.673 1.00 0.00 H new ATOM 386 N ASN A 29 8.472 -12.633 5.428 1.00 0.00 N ATOM 387 CA ASN A 29 8.810 -12.475 6.838 1.00 0.00 C ATOM 388 C ASN A 29 7.743 -11.662 7.564 1.00 0.00 C ATOM 389 O ASN A 29 7.448 -11.910 8.733 1.00 0.00 O ATOM 390 CB ASN A 29 10.172 -11.795 6.984 1.00 0.00 C ATOM 391 CG ASN A 29 11.325 -12.763 6.801 1.00 0.00 C ATOM 392 OD1 ASN A 29 12.031 -12.638 5.684 1.00 0.00 O flip ATOM 393 ND2 ASN A 29 11.576 -13.614 7.655 1.00 0.00 N flip ATOM 0 H ASN A 29 9.190 -12.303 4.783 1.00 0.00 H new ATOM 0 HA ASN A 29 8.856 -13.466 7.289 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.255 -10.993 6.251 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.241 -11.334 7.969 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.006 -13.673 8.499 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.354 -14.259 7.519 1.00 0.00 H new ATOM 400 N ARG A 30 7.167 -10.690 6.863 1.00 0.00 N ATOM 401 CA ARG A 30 6.133 -9.840 7.441 1.00 0.00 C ATOM 402 C ARG A 30 4.762 -10.502 7.334 1.00 0.00 C ATOM 403 O ARG A 30 3.890 -10.288 8.177 1.00 0.00 O ATOM 404 CB ARG A 30 6.110 -8.480 6.741 1.00 0.00 C ATOM 405 CG ARG A 30 7.494 -7.932 6.430 1.00 0.00 C ATOM 406 CD ARG A 30 8.287 -7.670 7.701 1.00 0.00 C ATOM 407 NE ARG A 30 7.564 -6.805 8.629 1.00 0.00 N ATOM 408 CZ ARG A 30 7.868 -6.692 9.917 1.00 0.00 C ATOM 409 NH1 ARG A 30 8.876 -7.387 10.427 1.00 0.00 N ATOM 410 NH2 ARG A 30 7.163 -5.884 10.698 1.00 0.00 N ATOM 0 H ARG A 30 7.399 -10.472 5.894 1.00 0.00 H new ATOM 0 HA ARG A 30 6.366 -9.694 8.496 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.546 -8.568 5.812 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.578 -7.766 7.370 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.034 -8.640 5.802 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.401 -7.007 5.860 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.512 -8.618 8.190 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.241 -7.209 7.445 1.00 0.00 H new ATOM 0 HE ARG A 30 6.783 -6.257 8.268 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.420 -8.010 9.830 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.107 -7.298 11.416 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.387 -5.349 10.310 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.397 -5.798 11.687 1.00 0.00 H new ATOM 424 N LEU A 31 4.580 -11.307 6.294 1.00 0.00 N ATOM 425 CA LEU A 31 3.315 -12.001 6.076 1.00 0.00 C ATOM 426 C LEU A 31 3.222 -13.250 6.947 1.00 0.00 C ATOM 427 O LEU A 31 2.133 -13.774 7.181 1.00 0.00 O ATOM 428 CB LEU A 31 3.167 -12.382 4.602 1.00 0.00 C ATOM 429 CG LEU A 31 1.862 -13.080 4.217 1.00 0.00 C ATOM 430 CD1 LEU A 31 0.804 -12.059 3.828 1.00 0.00 C ATOM 431 CD2 LEU A 31 2.099 -14.064 3.080 1.00 0.00 C ATOM 0 H LEU A 31 5.292 -11.496 5.588 1.00 0.00 H new ATOM 0 HA LEU A 31 2.506 -11.325 6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.262 -11.477 4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.998 -13.033 4.331 1.00 0.00 H new ATOM 0 HG LEU A 31 1.501 -13.635 5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.117 -12.575 3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.613 -11.394 4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.157 -11.476 2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.160 -14.552 2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.484 -13.530 2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.823 -14.816 3.394 1.00 0.00 H new ATOM 443 N GLN A 32 4.370 -13.718 7.426 1.00 0.00 N ATOM 444 CA GLN A 32 4.416 -14.904 8.273 1.00 0.00 C ATOM 445 C GLN A 32 4.463 -14.518 9.748 1.00 0.00 C ATOM 446 O GLN A 32 4.017 -15.273 10.611 1.00 0.00 O ATOM 447 CB GLN A 32 5.632 -15.762 7.919 1.00 0.00 C ATOM 448 CG GLN A 32 5.904 -16.874 8.919 1.00 0.00 C ATOM 449 CD GLN A 32 6.591 -18.070 8.289 1.00 0.00 C ATOM 450 OE1 GLN A 32 7.768 -18.328 8.541 1.00 0.00 O ATOM 451 NE2 GLN A 32 5.857 -18.808 7.464 1.00 0.00 N ATOM 0 H GLN A 32 5.280 -13.295 7.242 1.00 0.00 H new ATOM 0 HA GLN A 32 3.509 -15.482 8.096 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.482 -16.201 6.932 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.511 -15.121 7.853 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.525 -16.487 9.727 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.963 -17.194 9.366 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.885 -18.557 7.284 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.265 -19.625 7.011 1.00 0.00 H new ATOM 460 N ALA A 33 5.008 -13.339 10.029 1.00 0.00 N ATOM 461 CA ALA A 33 5.112 -12.852 11.399 1.00 0.00 C ATOM 462 C ALA A 33 3.984 -11.878 11.722 1.00 0.00 C ATOM 463 O ALA A 33 3.572 -11.751 12.876 1.00 0.00 O ATOM 464 CB ALA A 33 6.463 -12.191 11.623 1.00 0.00 C ATOM 0 H ALA A 33 5.384 -12.703 9.326 1.00 0.00 H new ATOM 0 HA ALA A 33 5.023 -13.706 12.070 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.527 -11.832 12.650 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.257 -12.915 11.442 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.575 -11.351 10.938 1.00 0.00 H new ATOM 470 N ASP A 34 3.489 -11.192 10.698 1.00 0.00 N ATOM 471 CA ASP A 34 2.408 -10.229 10.874 1.00 0.00 C ATOM 472 C ASP A 34 1.100 -10.772 10.307 1.00 0.00 C ATOM 473 O ASP A 34 0.027 -10.218 10.554 1.00 0.00 O ATOM 474 CB ASP A 34 2.761 -8.905 10.196 1.00 0.00 C ATOM 475 CG ASP A 34 2.102 -7.716 10.868 1.00 0.00 C ATOM 476 OD1 ASP A 34 0.855 -7.681 10.920 1.00 0.00 O ATOM 477 OD2 ASP A 34 2.833 -6.821 11.341 1.00 0.00 O ATOM 0 H ASP A 34 3.819 -11.285 9.737 1.00 0.00 H new ATOM 0 HA ASP A 34 2.277 -10.057 11.942 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.843 -8.771 10.207 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.456 -8.943 9.150 1.00 0.00 H new ATOM 482 N HIS A 35 1.195 -11.858 9.547 1.00 0.00 N ATOM 483 CA HIS A 35 0.019 -12.475 8.945 1.00 0.00 C ATOM 484 C HIS A 35 -0.674 -11.508 7.989 1.00 0.00 C ATOM 485 O HIS A 35 -1.885 -11.584 7.783 1.00 0.00 O ATOM 486 CB HIS A 35 -0.959 -12.925 10.030 1.00 0.00 C ATOM 487 CG HIS A 35 -0.329 -13.777 11.089 1.00 0.00 C ATOM 488 ND1 HIS A 35 0.122 -15.059 10.854 1.00 0.00 N ATOM 489 CD2 HIS A 35 -0.072 -13.523 12.393 1.00 0.00 C ATOM 490 CE1 HIS A 35 0.626 -15.557 11.969 1.00 0.00 C ATOM 491 NE2 HIS A 35 0.521 -14.644 12.918 1.00 0.00 N ATOM 0 H HIS A 35 2.074 -12.329 9.333 1.00 0.00 H new ATOM 0 HA HIS A 35 0.347 -13.346 8.378 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.400 -12.045 10.498 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.774 -13.480 9.565 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.293 -12.608 12.922 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.051 -16.543 12.085 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.830 -14.754 13.884 1.00 0.00 H new ATOM 499 N VAL A 36 0.103 -10.598 7.410 1.00 0.00 N ATOM 500 CA VAL A 36 -0.435 -9.616 6.477 1.00 0.00 C ATOM 501 C VAL A 36 0.678 -8.778 5.858 1.00 0.00 C ATOM 502 O VAL A 36 1.640 -8.409 6.533 1.00 0.00 O ATOM 503 CB VAL A 36 -1.444 -8.679 7.167 1.00 0.00 C ATOM 504 CG1 VAL A 36 -0.735 -7.766 8.156 1.00 0.00 C ATOM 505 CG2 VAL A 36 -2.210 -7.867 6.134 1.00 0.00 C ATOM 0 H VAL A 36 1.107 -10.521 7.571 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.946 -10.173 5.692 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.159 -9.288 7.720 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.464 -7.111 8.634 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.237 -8.369 8.915 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.004 -7.163 7.629 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.918 -7.211 6.640 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.511 -7.267 5.552 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.751 -8.541 5.469 1.00 0.00 H new ATOM 515 N CYS A 37 0.542 -8.482 4.570 1.00 0.00 N ATOM 516 CA CYS A 37 1.537 -7.687 3.859 1.00 0.00 C ATOM 517 C CYS A 37 1.040 -7.314 2.466 1.00 0.00 C ATOM 518 O CYS A 37 0.323 -8.082 1.824 1.00 0.00 O ATOM 519 CB CYS A 37 2.854 -8.456 3.754 1.00 0.00 C ATOM 520 SG CYS A 37 4.315 -7.402 3.598 1.00 0.00 S ATOM 0 H CYS A 37 -0.247 -8.780 3.997 1.00 0.00 H new ATOM 0 HA CYS A 37 1.704 -6.770 4.424 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.966 -9.085 4.637 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.806 -9.122 2.892 1.00 0.00 H new ATOM 0 HG CYS A 37 4.978 -7.734 2.530 1.00 0.00 H new ATOM 526 N LEU A 38 1.424 -6.128 2.005 1.00 0.00 N ATOM 527 CA LEU A 38 1.016 -5.651 0.688 1.00 0.00 C ATOM 528 C LEU A 38 1.906 -6.238 -0.403 1.00 0.00 C ATOM 529 O LEU A 38 3.128 -6.097 -0.363 1.00 0.00 O ATOM 530 CB LEU A 38 1.069 -4.123 0.639 1.00 0.00 C ATOM 531 CG LEU A 38 1.039 -3.495 -0.755 1.00 0.00 C ATOM 532 CD1 LEU A 38 -0.394 -3.332 -1.237 1.00 0.00 C ATOM 533 CD2 LEU A 38 1.758 -2.154 -0.751 1.00 0.00 C ATOM 0 H LEU A 38 2.017 -5.480 2.523 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.008 -5.979 0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.227 -3.732 1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.977 -3.794 1.144 1.00 0.00 H new ATOM 0 HG LEU A 38 1.558 -4.161 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.395 -2.884 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.877 -4.308 -1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.939 -2.687 -0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.727 -1.721 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.267 -1.480 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.796 -2.298 -0.450 1.00 0.00 H new ATOM 545 N GLU A 39 1.284 -6.893 -1.378 1.00 0.00 N ATOM 546 CA GLU A 39 2.021 -7.499 -2.481 1.00 0.00 C ATOM 547 C GLU A 39 2.480 -6.438 -3.477 1.00 0.00 C ATOM 548 O GLU A 39 3.674 -6.186 -3.625 1.00 0.00 O ATOM 549 CB GLU A 39 1.154 -8.541 -3.192 1.00 0.00 C ATOM 550 CG GLU A 39 1.955 -9.636 -3.875 1.00 0.00 C ATOM 551 CD GLU A 39 1.152 -10.906 -4.078 1.00 0.00 C ATOM 552 OE1 GLU A 39 -0.066 -10.803 -4.335 1.00 0.00 O ATOM 553 OE2 GLU A 39 1.740 -12.003 -3.980 1.00 0.00 O ATOM 0 H GLU A 39 0.273 -7.018 -1.427 1.00 0.00 H new ATOM 0 HA GLU A 39 2.902 -7.991 -2.069 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.479 -8.995 -2.467 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.534 -8.039 -3.935 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.307 -9.275 -4.841 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.839 -9.861 -3.278 1.00 0.00 H new ATOM 560 N ASN A 40 1.520 -5.821 -4.159 1.00 0.00 N ATOM 561 CA ASN A 40 1.825 -4.788 -5.142 1.00 0.00 C ATOM 562 C ASN A 40 0.793 -3.664 -5.089 1.00 0.00 C ATOM 563 O ASN A 40 -0.388 -3.904 -4.834 1.00 0.00 O ATOM 564 CB ASN A 40 1.867 -5.389 -6.548 1.00 0.00 C ATOM 565 CG ASN A 40 0.501 -5.845 -7.024 1.00 0.00 C ATOM 566 OD1 ASN A 40 -0.041 -6.835 -6.533 1.00 0.00 O ATOM 567 ND2 ASN A 40 -0.062 -5.122 -7.985 1.00 0.00 N ATOM 0 H ASN A 40 0.525 -6.018 -4.049 1.00 0.00 H new ATOM 0 HA ASN A 40 2.803 -4.371 -4.902 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.263 -4.650 -7.244 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.553 -6.236 -6.558 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.981 -5.380 -8.346 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.424 -4.309 -8.363 1.00 0.00 H new ATOM 574 N CYS A 41 1.248 -2.440 -5.330 1.00 0.00 N ATOM 575 CA CYS A 41 0.365 -1.279 -5.309 1.00 0.00 C ATOM 576 C CYS A 41 0.658 -0.352 -6.484 1.00 0.00 C ATOM 577 O CYS A 41 1.686 0.325 -6.513 1.00 0.00 O ATOM 578 CB CYS A 41 0.520 -0.518 -3.992 1.00 0.00 C ATOM 579 SG CYS A 41 -0.700 0.794 -3.749 1.00 0.00 S ATOM 0 H CYS A 41 2.222 -2.225 -5.542 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.662 -1.633 -5.396 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.447 -1.225 -3.166 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.519 -0.083 -3.952 1.00 0.00 H new ATOM 0 HG CYS A 41 -0.597 1.264 -2.541 1.00 0.00 H new ATOM 585 N VAL A 42 -0.252 -0.326 -7.453 1.00 0.00 N ATOM 586 CA VAL A 42 -0.091 0.517 -8.631 1.00 0.00 C ATOM 587 C VAL A 42 -0.802 1.854 -8.451 1.00 0.00 C ATOM 588 O VAL A 42 -1.626 2.015 -7.550 1.00 0.00 O ATOM 589 CB VAL A 42 -0.635 -0.175 -9.895 1.00 0.00 C ATOM 590 CG1 VAL A 42 -0.052 -1.573 -10.031 1.00 0.00 C ATOM 591 CG2 VAL A 42 -2.155 -0.222 -9.864 1.00 0.00 C ATOM 0 H VAL A 42 -1.109 -0.880 -7.445 1.00 0.00 H new ATOM 0 HA VAL A 42 0.978 0.691 -8.752 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.330 0.405 -10.766 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.448 -2.046 -10.930 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.034 -1.509 -10.103 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.324 -2.167 -9.158 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.522 -0.714 -10.765 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.484 -0.779 -8.986 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.550 0.793 -9.819 1.00 0.00 H new ATOM 601 N LEU A 43 -0.478 2.810 -9.314 1.00 0.00 N ATOM 602 CA LEU A 43 -1.087 4.135 -9.252 1.00 0.00 C ATOM 603 C LEU A 43 -1.666 4.533 -10.606 1.00 0.00 C ATOM 604 O LEU A 43 -0.943 4.629 -11.598 1.00 0.00 O ATOM 605 CB LEU A 43 -0.055 5.171 -8.801 1.00 0.00 C ATOM 606 CG LEU A 43 -0.606 6.384 -8.051 1.00 0.00 C ATOM 607 CD1 LEU A 43 0.489 7.042 -7.225 1.00 0.00 C ATOM 608 CD2 LEU A 43 -1.215 7.382 -9.025 1.00 0.00 C ATOM 0 H LEU A 43 0.202 2.693 -10.065 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.900 4.101 -8.527 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.674 4.674 -8.161 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.482 5.526 -9.680 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.390 6.044 -7.374 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.079 7.904 -6.698 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.879 6.326 -6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.294 7.369 -7.883 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.602 8.239 -8.473 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.452 7.717 -9.727 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.028 6.906 -9.573 1.00 0.00 H new ATOM 620 N LYS A 44 -2.973 4.765 -10.639 1.00 0.00 N ATOM 621 CA LYS A 44 -3.650 5.156 -11.870 1.00 0.00 C ATOM 622 C LYS A 44 -3.668 6.673 -12.023 1.00 0.00 C ATOM 623 O LYS A 44 -3.093 7.395 -11.208 1.00 0.00 O ATOM 624 CB LYS A 44 -5.082 4.615 -11.883 1.00 0.00 C ATOM 625 CG LYS A 44 -5.168 3.127 -12.172 1.00 0.00 C ATOM 626 CD LYS A 44 -5.087 2.305 -10.897 1.00 0.00 C ATOM 627 CE LYS A 44 -5.837 0.989 -11.033 1.00 0.00 C ATOM 628 NZ LYS A 44 -5.049 -0.023 -11.791 1.00 0.00 N ATOM 0 H LYS A 44 -3.586 4.689 -9.827 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.099 4.730 -12.709 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.546 4.816 -10.918 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.659 5.156 -12.633 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.103 2.909 -12.687 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.359 2.839 -12.844 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.043 2.106 -10.657 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.502 2.877 -10.067 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.070 0.600 -10.042 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.787 1.163 -11.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.636 -0.421 -12.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.208 0.429 -12.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.752 -0.785 -11.148 1.00 0.00 H new ATOM 642 N ASP A 45 -4.331 7.150 -13.070 1.00 0.00 N ATOM 643 CA ASP A 45 -4.425 8.583 -13.328 1.00 0.00 C ATOM 644 C ASP A 45 -4.995 9.316 -12.118 1.00 0.00 C ATOM 645 O ASP A 45 -4.379 10.245 -11.594 1.00 0.00 O ATOM 646 CB ASP A 45 -5.297 8.845 -14.557 1.00 0.00 C ATOM 647 CG ASP A 45 -5.453 10.324 -14.851 1.00 0.00 C ATOM 648 OD1 ASP A 45 -4.460 10.952 -15.276 1.00 0.00 O ATOM 649 OD2 ASP A 45 -6.567 10.853 -14.658 1.00 0.00 O ATOM 0 H ASP A 45 -4.812 6.566 -13.754 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.420 8.960 -13.518 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.858 8.350 -15.423 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.281 8.403 -14.402 1.00 0.00 H new ATOM 654 N LYS A 46 -6.176 8.895 -11.680 1.00 0.00 N ATOM 655 CA LYS A 46 -6.831 9.511 -10.531 1.00 0.00 C ATOM 656 C LYS A 46 -7.310 8.450 -9.545 1.00 0.00 C ATOM 657 O LYS A 46 -8.169 8.715 -8.704 1.00 0.00 O ATOM 658 CB LYS A 46 -8.013 10.367 -10.991 1.00 0.00 C ATOM 659 CG LYS A 46 -9.270 9.564 -11.278 1.00 0.00 C ATOM 660 CD LYS A 46 -9.146 8.778 -12.573 1.00 0.00 C ATOM 661 CE LYS A 46 -8.736 7.337 -12.313 1.00 0.00 C ATOM 662 NZ LYS A 46 -9.918 6.444 -12.154 1.00 0.00 N ATOM 0 H LYS A 46 -6.700 8.129 -12.103 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.104 10.148 -10.027 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.233 11.109 -10.224 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.727 10.913 -11.890 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.462 8.879 -10.452 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.126 10.236 -11.340 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.098 8.796 -13.104 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.411 9.255 -13.221 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.120 6.980 -13.138 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.122 7.291 -11.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.597 5.471 -11.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.493 6.769 -11.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.491 6.468 -13.022 1.00 0.00 H new ATOM 676 N ALA A 47 -6.749 7.251 -9.654 1.00 0.00 N ATOM 677 CA ALA A 47 -7.117 6.152 -8.769 1.00 0.00 C ATOM 678 C ALA A 47 -5.909 5.280 -8.445 1.00 0.00 C ATOM 679 O ALA A 47 -4.804 5.531 -8.926 1.00 0.00 O ATOM 680 CB ALA A 47 -8.221 5.315 -9.399 1.00 0.00 C ATOM 0 H ALA A 47 -6.038 7.015 -10.346 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.486 6.577 -7.836 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.486 4.498 -8.728 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.097 5.940 -9.574 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.872 4.907 -10.347 1.00 0.00 H new ATOM 686 N ILE A 48 -6.127 4.256 -7.627 1.00 0.00 N ATOM 687 CA ILE A 48 -5.055 3.347 -7.239 1.00 0.00 C ATOM 688 C ILE A 48 -5.567 1.915 -7.115 1.00 0.00 C ATOM 689 O ILE A 48 -6.773 1.679 -7.056 1.00 0.00 O ATOM 690 CB ILE A 48 -4.415 3.769 -5.904 1.00 0.00 C ATOM 691 CG1 ILE A 48 -5.238 3.238 -4.728 1.00 0.00 C ATOM 692 CG2 ILE A 48 -4.293 5.283 -5.830 1.00 0.00 C ATOM 693 CD1 ILE A 48 -4.678 3.622 -3.377 1.00 0.00 C ATOM 0 H ILE A 48 -7.036 4.035 -7.220 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.301 3.394 -8.025 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.415 3.340 -5.847 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.258 3.614 -4.810 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.292 2.151 -4.794 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.839 5.565 -4.880 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.669 5.638 -6.650 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.283 5.732 -5.906 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.312 3.212 -2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.669 3.223 -3.275 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.649 4.708 -3.290 1.00 0.00 H new ATOM 705 N ALA A 49 -4.640 0.964 -7.075 1.00 0.00 N ATOM 706 CA ALA A 49 -4.996 -0.445 -6.954 1.00 0.00 C ATOM 707 C ALA A 49 -3.852 -1.251 -6.350 1.00 0.00 C ATOM 708 O ALA A 49 -2.681 -0.971 -6.604 1.00 0.00 O ATOM 709 CB ALA A 49 -5.382 -1.010 -8.313 1.00 0.00 C ATOM 0 H ALA A 49 -3.637 1.143 -7.125 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.852 -0.521 -6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.645 -2.062 -8.208 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.237 -0.460 -8.706 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.541 -0.913 -8.999 1.00 0.00 H new ATOM 715 N GLY A 50 -4.199 -2.252 -5.547 1.00 0.00 N ATOM 716 CA GLY A 50 -3.188 -3.083 -4.918 1.00 0.00 C ATOM 717 C GLY A 50 -3.771 -4.341 -4.306 1.00 0.00 C ATOM 718 O GLY A 50 -4.938 -4.368 -3.913 1.00 0.00 O ATOM 0 H GLY A 50 -5.161 -2.503 -5.321 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.436 -3.357 -5.658 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.679 -2.508 -4.144 1.00 0.00 H new ATOM 722 N THR A 51 -2.957 -5.390 -4.226 1.00 0.00 N ATOM 723 CA THR A 51 -3.399 -6.659 -3.661 1.00 0.00 C ATOM 724 C THR A 51 -2.656 -6.973 -2.368 1.00 0.00 C ATOM 725 O THR A 51 -1.429 -6.893 -2.309 1.00 0.00 O ATOM 726 CB THR A 51 -3.191 -7.818 -4.654 1.00 0.00 C ATOM 727 OG1 THR A 51 -1.812 -7.901 -5.029 1.00 0.00 O ATOM 728 CG2 THR A 51 -4.049 -7.628 -5.895 1.00 0.00 C ATOM 0 H THR A 51 -1.988 -5.385 -4.545 1.00 0.00 H new ATOM 0 HA THR A 51 -4.464 -6.558 -3.450 1.00 0.00 H new ATOM 0 HB THR A 51 -3.490 -8.745 -4.164 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.612 -7.212 -5.696 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.885 -8.459 -6.581 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.100 -7.596 -5.609 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.778 -6.693 -6.385 1.00 0.00 H new ATOM 736 N VAL A 52 -3.408 -7.331 -1.331 1.00 0.00 N ATOM 737 CA VAL A 52 -2.820 -7.659 -0.038 1.00 0.00 C ATOM 738 C VAL A 52 -2.819 -9.165 0.199 1.00 0.00 C ATOM 739 O VAL A 52 -3.711 -9.878 -0.261 1.00 0.00 O ATOM 740 CB VAL A 52 -3.576 -6.970 1.113 1.00 0.00 C ATOM 741 CG1 VAL A 52 -3.098 -7.497 2.458 1.00 0.00 C ATOM 742 CG2 VAL A 52 -3.408 -5.461 1.033 1.00 0.00 C ATOM 0 H VAL A 52 -4.425 -7.401 -1.362 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.792 -7.296 -0.056 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.637 -7.200 1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.644 -6.998 3.259 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.276 -8.571 2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.032 -7.300 2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.949 -4.991 1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.350 -5.208 1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.804 -5.101 0.084 1.00 0.00 H new ATOM 752 N LYS A 53 -1.811 -9.644 0.921 1.00 0.00 N ATOM 753 CA LYS A 53 -1.693 -11.066 1.222 1.00 0.00 C ATOM 754 C LYS A 53 -1.937 -11.331 2.704 1.00 0.00 C ATOM 755 O LYS A 53 -1.700 -10.465 3.546 1.00 0.00 O ATOM 756 CB LYS A 53 -0.308 -11.579 0.822 1.00 0.00 C ATOM 757 CG LYS A 53 -0.201 -11.967 -0.643 1.00 0.00 C ATOM 758 CD LYS A 53 -1.093 -13.152 -0.972 1.00 0.00 C ATOM 759 CE LYS A 53 -0.689 -13.805 -2.285 1.00 0.00 C ATOM 760 NZ LYS A 53 0.414 -14.788 -2.100 1.00 0.00 N ATOM 0 H LYS A 53 -1.064 -9.068 1.309 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.451 -11.598 0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.432 -10.809 1.040 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.059 -12.444 1.437 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.479 -11.117 -1.267 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.834 -12.212 -0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.037 -13.885 -0.167 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.130 -12.823 -1.032 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.553 -14.306 -2.722 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.376 -13.036 -2.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.660 -15.211 -3.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.247 -14.305 -1.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.107 -15.536 -1.446 1.00 0.00 H new ATOM 774 N VAL A 54 -2.411 -12.533 3.016 1.00 0.00 N ATOM 775 CA VAL A 54 -2.684 -12.912 4.397 1.00 0.00 C ATOM 776 C VAL A 54 -2.472 -14.407 4.608 1.00 0.00 C ATOM 777 O VAL A 54 -2.590 -15.198 3.673 1.00 0.00 O ATOM 778 CB VAL A 54 -4.124 -12.546 4.805 1.00 0.00 C ATOM 779 CG1 VAL A 54 -4.336 -11.042 4.722 1.00 0.00 C ATOM 780 CG2 VAL A 54 -5.128 -13.283 3.932 1.00 0.00 C ATOM 0 H VAL A 54 -2.614 -13.261 2.331 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.985 -12.357 5.022 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.280 -12.855 5.839 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.358 -10.802 5.014 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.640 -10.539 5.393 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.162 -10.706 3.700 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.140 -13.013 4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.975 -13.007 2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.990 -14.358 4.047 1.00 0.00 H new ATOM 790 N GLN A 55 -2.160 -14.785 5.843 1.00 0.00 N ATOM 791 CA GLN A 55 -1.931 -16.186 6.177 1.00 0.00 C ATOM 792 C GLN A 55 -3.247 -16.895 6.480 1.00 0.00 C ATOM 793 O GLN A 55 -4.083 -16.382 7.222 1.00 0.00 O ATOM 794 CB GLN A 55 -0.989 -16.299 7.377 1.00 0.00 C ATOM 795 CG GLN A 55 0.482 -16.194 7.008 1.00 0.00 C ATOM 796 CD GLN A 55 1.066 -17.518 6.557 1.00 0.00 C ATOM 797 OE1 GLN A 55 0.472 -18.228 5.745 1.00 0.00 O ATOM 798 NE2 GLN A 55 2.238 -17.858 7.082 1.00 0.00 N ATOM 0 H GLN A 55 -2.060 -14.142 6.628 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.469 -16.668 5.315 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.232 -15.515 8.094 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.163 -17.252 7.876 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.602 -15.459 6.212 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.043 -15.828 7.868 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.696 -17.239 7.752 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.680 -18.738 6.815 1.00 0.00 H new ATOM 807 N ASN A 56 -3.422 -18.079 5.901 1.00 0.00 N ATOM 808 CA ASN A 56 -4.637 -18.858 6.108 1.00 0.00 C ATOM 809 C ASN A 56 -4.654 -19.478 7.502 1.00 0.00 C ATOM 810 O ASN A 56 -4.576 -20.698 7.652 1.00 0.00 O ATOM 811 CB ASN A 56 -4.751 -19.956 5.048 1.00 0.00 C ATOM 812 CG ASN A 56 -3.424 -20.638 4.778 1.00 0.00 C ATOM 813 OD1 ASN A 56 -2.598 -20.134 4.017 1.00 0.00 O ATOM 814 ND2 ASN A 56 -3.215 -21.792 5.401 1.00 0.00 N ATOM 0 H ASN A 56 -2.738 -18.519 5.285 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.490 -18.185 6.018 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.478 -20.699 5.375 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.130 -19.525 4.121 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.341 -22.298 5.257 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.928 -22.172 6.023 1.00 0.00 H new ATOM 821 N LEU A 57 -4.758 -18.630 8.520 1.00 0.00 N ATOM 822 CA LEU A 57 -4.786 -19.094 9.902 1.00 0.00 C ATOM 823 C LEU A 57 -6.166 -19.633 10.268 1.00 0.00 C ATOM 824 O LEU A 57 -6.299 -20.771 10.718 1.00 0.00 O ATOM 825 CB LEU A 57 -4.403 -17.956 10.851 1.00 0.00 C ATOM 826 CG LEU A 57 -3.105 -17.218 10.523 1.00 0.00 C ATOM 827 CD1 LEU A 57 -2.923 -16.023 11.447 1.00 0.00 C ATOM 828 CD2 LEU A 57 -1.915 -18.160 10.626 1.00 0.00 C ATOM 0 H LEU A 57 -4.824 -17.618 8.414 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.062 -19.902 10.002 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.217 -17.231 10.864 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.322 -18.362 11.859 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.166 -16.853 9.498 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.994 -15.510 11.199 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.761 -15.337 11.324 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.884 -16.365 12.481 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.000 -17.617 10.389 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.850 -18.555 11.640 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.041 -18.983 9.923 1.00 0.00 H new ATOM 840 N ALA A 58 -7.189 -18.809 10.069 1.00 0.00 N ATOM 841 CA ALA A 58 -8.559 -19.205 10.373 1.00 0.00 C ATOM 842 C ALA A 58 -9.362 -19.428 9.097 1.00 0.00 C ATOM 843 O ALA A 58 -8.841 -19.287 7.990 1.00 0.00 O ATOM 844 CB ALA A 58 -9.230 -18.154 11.244 1.00 0.00 C ATOM 0 H ALA A 58 -7.095 -17.863 9.699 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.526 -20.148 10.919 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.252 -18.462 11.464 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.675 -18.046 12.176 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.244 -17.200 10.717 1.00 0.00 H new ATOM 850 N PHE A 59 -10.634 -19.779 9.257 1.00 0.00 N ATOM 851 CA PHE A 59 -11.509 -20.024 8.117 1.00 0.00 C ATOM 852 C PHE A 59 -11.957 -18.710 7.483 1.00 0.00 C ATOM 853 O PHE A 59 -11.841 -18.522 6.272 1.00 0.00 O ATOM 854 CB PHE A 59 -12.731 -20.837 8.550 1.00 0.00 C ATOM 855 CG PHE A 59 -13.391 -21.574 7.420 1.00 0.00 C ATOM 856 CD1 PHE A 59 -12.725 -22.591 6.755 1.00 0.00 C ATOM 857 CD2 PHE A 59 -14.679 -21.251 7.023 1.00 0.00 C ATOM 858 CE1 PHE A 59 -13.330 -23.272 5.715 1.00 0.00 C ATOM 859 CE2 PHE A 59 -15.289 -21.928 5.985 1.00 0.00 C ATOM 860 CZ PHE A 59 -14.613 -22.939 5.329 1.00 0.00 C ATOM 0 H PHE A 59 -11.082 -19.900 10.166 1.00 0.00 H new ATOM 0 HA PHE A 59 -10.947 -20.592 7.375 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -12.429 -21.554 9.313 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.458 -20.168 9.011 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -11.721 -22.855 7.053 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -15.212 -20.461 7.531 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -12.800 -24.063 5.205 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -16.294 -21.667 5.686 1.00 0.00 H new ATOM 0 HZ PHE A 59 -15.088 -23.468 4.516 1.00 0.00 H new ATOM 870 N GLU A 60 -12.470 -17.805 8.311 1.00 0.00 N ATOM 871 CA GLU A 60 -12.937 -16.510 7.831 1.00 0.00 C ATOM 872 C GLU A 60 -12.003 -15.392 8.286 1.00 0.00 C ATOM 873 O GLU A 60 -11.275 -15.537 9.268 1.00 0.00 O ATOM 874 CB GLU A 60 -14.357 -16.238 8.331 1.00 0.00 C ATOM 875 CG GLU A 60 -15.429 -16.985 7.555 1.00 0.00 C ATOM 876 CD GLU A 60 -15.740 -16.339 6.219 1.00 0.00 C ATOM 877 OE1 GLU A 60 -16.257 -15.202 6.217 1.00 0.00 O ATOM 878 OE2 GLU A 60 -15.467 -16.970 5.177 1.00 0.00 O ATOM 0 H GLU A 60 -12.573 -17.945 9.316 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.942 -16.535 6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.422 -16.515 9.383 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.556 -15.168 8.271 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.104 -18.012 7.390 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.339 -17.031 8.153 1.00 0.00 H new ATOM 885 N LYS A 61 -12.030 -14.277 7.565 1.00 0.00 N ATOM 886 CA LYS A 61 -11.187 -13.133 7.892 1.00 0.00 C ATOM 887 C LYS A 61 -11.810 -11.836 7.386 1.00 0.00 C ATOM 888 O LYS A 61 -12.863 -11.847 6.748 1.00 0.00 O ATOM 889 CB LYS A 61 -9.792 -13.311 7.288 1.00 0.00 C ATOM 890 CG LYS A 61 -9.781 -13.298 5.769 1.00 0.00 C ATOM 891 CD LYS A 61 -8.656 -14.155 5.213 1.00 0.00 C ATOM 892 CE LYS A 61 -8.902 -15.633 5.471 1.00 0.00 C ATOM 893 NZ LYS A 61 -8.071 -16.497 4.587 1.00 0.00 N ATOM 0 H LYS A 61 -12.627 -14.141 6.749 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.101 -13.075 8.977 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.142 -12.516 7.655 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.371 -14.254 7.638 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.737 -13.663 5.394 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.669 -12.274 5.414 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.562 -13.982 4.141 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.711 -13.857 5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.681 -15.861 6.514 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.956 -15.859 5.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.268 -17.497 4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.300 -16.298 3.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.064 -16.300 4.757 1.00 0.00 H new ATOM 907 N THR A 62 -11.152 -10.717 7.674 1.00 0.00 N ATOM 908 CA THR A 62 -11.641 -9.412 7.248 1.00 0.00 C ATOM 909 C THR A 62 -10.492 -8.509 6.814 1.00 0.00 C ATOM 910 O THR A 62 -9.659 -8.112 7.629 1.00 0.00 O ATOM 911 CB THR A 62 -12.431 -8.714 8.371 1.00 0.00 C ATOM 912 OG1 THR A 62 -13.555 -9.516 8.751 1.00 0.00 O ATOM 913 CG2 THR A 62 -12.910 -7.341 7.924 1.00 0.00 C ATOM 0 H THR A 62 -10.279 -10.689 8.201 1.00 0.00 H new ATOM 0 HA THR A 62 -12.304 -9.585 6.400 1.00 0.00 H new ATOM 0 HB THR A 62 -11.768 -8.589 9.227 1.00 0.00 H new ATOM 0 HG1 THR A 62 -14.051 -9.066 9.466 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.465 -6.868 8.734 1.00 0.00 H new ATOM 0 HG22 THR A 62 -12.051 -6.723 7.664 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.558 -7.447 7.054 1.00 0.00 H new ATOM 921 N VAL A 63 -10.453 -8.186 5.526 1.00 0.00 N ATOM 922 CA VAL A 63 -9.406 -7.328 4.983 1.00 0.00 C ATOM 923 C VAL A 63 -9.962 -5.963 4.593 1.00 0.00 C ATOM 924 O VAL A 63 -10.903 -5.865 3.805 1.00 0.00 O ATOM 925 CB VAL A 63 -8.737 -7.968 3.753 1.00 0.00 C ATOM 926 CG1 VAL A 63 -7.614 -7.082 3.234 1.00 0.00 C ATOM 927 CG2 VAL A 63 -8.217 -9.357 4.092 1.00 0.00 C ATOM 0 H VAL A 63 -11.135 -8.506 4.838 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.660 -7.203 5.768 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.484 -8.066 2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.153 -7.551 2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.019 -6.110 2.951 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.865 -6.949 4.015 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.747 -9.795 3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.484 -9.285 4.896 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.046 -9.988 4.412 1.00 0.00 H new ATOM 937 N LYS A 64 -9.374 -4.910 5.150 1.00 0.00 N ATOM 938 CA LYS A 64 -9.808 -3.548 4.860 1.00 0.00 C ATOM 939 C LYS A 64 -8.621 -2.590 4.845 1.00 0.00 C ATOM 940 O LYS A 64 -7.724 -2.686 5.683 1.00 0.00 O ATOM 941 CB LYS A 64 -10.836 -3.087 5.895 1.00 0.00 C ATOM 942 CG LYS A 64 -12.227 -3.654 5.665 1.00 0.00 C ATOM 943 CD LYS A 64 -12.986 -3.815 6.972 1.00 0.00 C ATOM 944 CE LYS A 64 -14.411 -4.288 6.733 1.00 0.00 C ATOM 945 NZ LYS A 64 -14.463 -5.434 5.783 1.00 0.00 N ATOM 0 H LYS A 64 -8.595 -4.973 5.805 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.269 -3.543 3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.494 -3.377 6.889 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.890 -1.998 5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.784 -2.995 4.998 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.149 -4.620 5.167 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.466 -4.530 7.610 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.001 -2.864 7.505 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.860 -4.582 7.682 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.006 -3.464 6.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.182 -6.115 6.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.709 -5.087 4.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.534 -5.901 5.751 1.00 0.00 H new ATOM 959 N ILE A 65 -8.623 -1.667 3.890 1.00 0.00 N ATOM 960 CA ILE A 65 -7.548 -0.691 3.769 1.00 0.00 C ATOM 961 C ILE A 65 -7.952 0.650 4.372 1.00 0.00 C ATOM 962 O ILE A 65 -9.068 1.125 4.163 1.00 0.00 O ATOM 963 CB ILE A 65 -7.143 -0.478 2.298 1.00 0.00 C ATOM 964 CG1 ILE A 65 -6.733 -1.807 1.662 1.00 0.00 C ATOM 965 CG2 ILE A 65 -6.011 0.534 2.201 1.00 0.00 C ATOM 966 CD1 ILE A 65 -5.363 -2.285 2.090 1.00 0.00 C ATOM 0 H ILE A 65 -9.358 -1.575 3.188 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.696 -1.092 4.318 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.002 -0.086 1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.471 -2.567 1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.750 -1.702 0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.736 0.674 1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.337 1.486 2.621 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.148 0.169 2.757 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.139 -3.232 1.600 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.615 -1.544 1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.347 -2.423 3.171 1.00 0.00 H new ATOM 978 N ARG A 66 -7.036 1.256 5.121 1.00 0.00 N ATOM 979 CA ARG A 66 -7.297 2.543 5.755 1.00 0.00 C ATOM 980 C ARG A 66 -6.412 3.633 5.156 1.00 0.00 C ATOM 981 O ARG A 66 -5.223 3.717 5.461 1.00 0.00 O ATOM 982 CB ARG A 66 -7.060 2.450 7.263 1.00 0.00 C ATOM 983 CG ARG A 66 -7.020 3.801 7.958 1.00 0.00 C ATOM 984 CD ARG A 66 -6.463 3.686 9.368 1.00 0.00 C ATOM 985 NE ARG A 66 -6.324 4.990 10.010 1.00 0.00 N ATOM 986 CZ ARG A 66 -5.606 5.196 11.108 1.00 0.00 C ATOM 987 NH1 ARG A 66 -4.965 4.188 11.683 1.00 0.00 N ATOM 988 NH2 ARG A 66 -5.527 6.412 11.633 1.00 0.00 N ATOM 0 H ARG A 66 -6.107 0.876 5.304 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.339 2.805 5.574 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.849 1.845 7.709 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.119 1.930 7.443 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.407 4.491 7.379 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.025 4.222 7.996 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.120 3.055 9.967 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.491 3.193 9.335 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.805 5.787 9.592 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.023 3.252 11.282 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.414 4.349 12.526 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.018 7.190 11.193 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.975 6.568 12.476 1.00 0.00 H new ATOM 1002 N MET A 67 -7.002 4.464 4.304 1.00 0.00 N ATOM 1003 CA MET A 67 -6.267 5.549 3.663 1.00 0.00 C ATOM 1004 C MET A 67 -6.747 6.905 4.171 1.00 0.00 C ATOM 1005 O MET A 67 -7.940 7.108 4.398 1.00 0.00 O ATOM 1006 CB MET A 67 -6.427 5.475 2.144 1.00 0.00 C ATOM 1007 CG MET A 67 -5.711 6.592 1.402 1.00 0.00 C ATOM 1008 SD MET A 67 -6.357 6.846 -0.262 1.00 0.00 S ATOM 1009 CE MET A 67 -5.046 6.126 -1.248 1.00 0.00 C ATOM 0 H MET A 67 -7.986 4.408 4.041 1.00 0.00 H new ATOM 0 HA MET A 67 -5.212 5.438 3.915 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.047 4.515 1.793 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.488 5.508 1.897 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.805 7.518 1.969 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.647 6.360 1.343 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.265 6.270 -2.306 1.00 0.00 H new ATOM 0 HE2 MET A 67 -4.100 6.610 -1.005 1.00 0.00 H new ATOM 0 HE3 MET A 67 -4.974 5.060 -1.034 1.00 0.00 H new ATOM 1019 N THR A 68 -5.810 7.831 4.349 1.00 0.00 N ATOM 1020 CA THR A 68 -6.137 9.167 4.831 1.00 0.00 C ATOM 1021 C THR A 68 -5.584 10.239 3.899 1.00 0.00 C ATOM 1022 O THR A 68 -4.678 9.980 3.107 1.00 0.00 O ATOM 1023 CB THR A 68 -5.587 9.403 6.250 1.00 0.00 C ATOM 1024 OG1 THR A 68 -5.984 10.695 6.722 1.00 0.00 O ATOM 1025 CG2 THR A 68 -4.069 9.295 6.267 1.00 0.00 C ATOM 0 H THR A 68 -4.818 7.680 4.166 1.00 0.00 H new ATOM 0 HA THR A 68 -7.225 9.236 4.855 1.00 0.00 H new ATOM 0 HB THR A 68 -5.998 8.636 6.907 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.519 10.595 7.537 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.703 9.465 7.280 1.00 0.00 H new ATOM 0 HG22 THR A 68 -3.771 8.300 5.936 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.644 10.042 5.597 1.00 0.00 H new ATOM 1033 N PHE A 69 -6.133 11.445 4.000 1.00 0.00 N ATOM 1034 CA PHE A 69 -5.694 12.557 3.166 1.00 0.00 C ATOM 1035 C PHE A 69 -5.415 13.796 4.013 1.00 0.00 C ATOM 1036 O PHE A 69 -5.068 14.854 3.488 1.00 0.00 O ATOM 1037 CB PHE A 69 -6.751 12.877 2.107 1.00 0.00 C ATOM 1038 CG PHE A 69 -7.147 11.690 1.277 1.00 0.00 C ATOM 1039 CD1 PHE A 69 -6.435 11.359 0.135 1.00 0.00 C ATOM 1040 CD2 PHE A 69 -8.230 10.905 1.638 1.00 0.00 C ATOM 1041 CE1 PHE A 69 -6.796 10.267 -0.631 1.00 0.00 C ATOM 1042 CE2 PHE A 69 -8.596 9.812 0.876 1.00 0.00 C ATOM 1043 CZ PHE A 69 -7.879 9.493 -0.261 1.00 0.00 C ATOM 0 H PHE A 69 -6.883 11.677 4.651 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.770 12.262 2.669 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.637 13.278 2.599 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.370 13.659 1.450 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.588 11.961 -0.160 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.795 11.150 2.525 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.232 10.019 -1.518 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.442 9.208 1.169 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.164 8.640 -0.859 1.00 0.00 H new ATOM 1053 N ASP A 70 -5.569 13.655 5.324 1.00 0.00 N ATOM 1054 CA ASP A 70 -5.333 14.761 6.245 1.00 0.00 C ATOM 1055 C ASP A 70 -4.459 14.318 7.414 1.00 0.00 C ATOM 1056 O ASP A 70 -4.948 14.105 8.524 1.00 0.00 O ATOM 1057 CB ASP A 70 -6.662 15.311 6.766 1.00 0.00 C ATOM 1058 CG ASP A 70 -7.572 15.781 5.648 1.00 0.00 C ATOM 1059 OD1 ASP A 70 -7.052 16.301 4.639 1.00 0.00 O ATOM 1060 OD2 ASP A 70 -8.805 15.630 5.783 1.00 0.00 O ATOM 0 H ASP A 70 -5.856 12.786 5.774 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.810 15.548 5.702 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.170 14.539 7.344 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.467 16.141 7.445 1.00 0.00 H new ATOM 1065 N THR A 71 -3.162 14.180 7.157 1.00 0.00 N ATOM 1066 CA THR A 71 -2.219 13.760 8.186 1.00 0.00 C ATOM 1067 C THR A 71 -2.868 12.785 9.162 1.00 0.00 C ATOM 1068 O THR A 71 -2.715 12.914 10.377 1.00 0.00 O ATOM 1069 CB THR A 71 -1.671 14.966 8.972 1.00 0.00 C ATOM 1070 OG1 THR A 71 -1.287 16.007 8.066 1.00 0.00 O ATOM 1071 CG2 THR A 71 -0.477 14.561 9.823 1.00 0.00 C ATOM 0 H THR A 71 -2.741 14.353 6.244 1.00 0.00 H new ATOM 0 HA THR A 71 -1.394 13.263 7.675 1.00 0.00 H new ATOM 0 HB THR A 71 -2.459 15.330 9.631 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.941 16.771 8.573 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.108 15.429 10.368 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.780 13.790 10.531 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.313 14.173 9.180 1.00 0.00 H new ATOM 1079 N TRP A 72 -3.593 11.811 8.623 1.00 0.00 N ATOM 1080 CA TRP A 72 -4.265 10.813 9.448 1.00 0.00 C ATOM 1081 C TRP A 72 -5.320 11.463 10.337 1.00 0.00 C ATOM 1082 O TRP A 72 -5.361 11.226 11.544 1.00 0.00 O ATOM 1083 CB TRP A 72 -3.248 10.063 10.309 1.00 0.00 C ATOM 1084 CG TRP A 72 -2.243 9.294 9.505 1.00 0.00 C ATOM 1085 CD1 TRP A 72 -0.980 9.694 9.173 1.00 0.00 C ATOM 1086 CD2 TRP A 72 -2.418 7.994 8.932 1.00 0.00 C ATOM 1087 NE1 TRP A 72 -0.360 8.720 8.428 1.00 0.00 N ATOM 1088 CE2 TRP A 72 -1.220 7.667 8.267 1.00 0.00 C ATOM 1089 CE3 TRP A 72 -3.469 7.073 8.917 1.00 0.00 C ATOM 1090 CZ2 TRP A 72 -1.048 6.460 7.594 1.00 0.00 C ATOM 1091 CZ3 TRP A 72 -3.297 5.876 8.250 1.00 0.00 C ATOM 1092 CH2 TRP A 72 -2.094 5.577 7.596 1.00 0.00 C ATOM 0 H TRP A 72 -3.731 11.691 7.619 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.761 10.105 8.785 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.725 10.777 10.945 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -3.778 9.376 10.969 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.534 10.637 9.454 1.00 0.00 H new ATOM 0 HE1 TRP A 72 0.588 8.773 8.055 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -4.400 7.294 9.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.122 6.229 7.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -4.103 5.158 8.232 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.990 4.632 7.084 1.00 0.00 H new ATOM 1103 N LYS A 73 -6.173 12.283 9.732 1.00 0.00 N ATOM 1104 CA LYS A 73 -7.230 12.966 10.468 1.00 0.00 C ATOM 1105 C LYS A 73 -8.606 12.554 9.954 1.00 0.00 C ATOM 1106 O LYS A 73 -9.526 12.318 10.737 1.00 0.00 O ATOM 1107 CB LYS A 73 -7.064 14.483 10.350 1.00 0.00 C ATOM 1108 CG LYS A 73 -5.896 15.031 11.151 1.00 0.00 C ATOM 1109 CD LYS A 73 -6.162 16.450 11.626 1.00 0.00 C ATOM 1110 CE LYS A 73 -5.857 17.468 10.538 1.00 0.00 C ATOM 1111 NZ LYS A 73 -4.404 17.789 10.470 1.00 0.00 N ATOM 0 H LYS A 73 -6.153 12.491 8.734 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.152 12.678 11.516 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.929 14.745 9.301 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.982 14.968 10.684 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.710 14.388 12.011 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.994 15.014 10.539 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.204 16.543 11.931 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.552 16.661 12.505 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.189 17.080 9.575 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.422 18.381 10.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.237 18.486 9.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.092 18.183 11.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.866 16.923 10.265 1.00 0.00 H new ATOM 1125 N SER A 74 -8.738 12.466 8.635 1.00 0.00 N ATOM 1126 CA SER A 74 -10.002 12.084 8.016 1.00 0.00 C ATOM 1127 C SER A 74 -9.803 10.920 7.049 1.00 0.00 C ATOM 1128 O SER A 74 -9.545 11.122 5.863 1.00 0.00 O ATOM 1129 CB SER A 74 -10.614 13.276 7.279 1.00 0.00 C ATOM 1130 OG SER A 74 -12.016 13.121 7.136 1.00 0.00 O ATOM 0 H SER A 74 -7.985 12.654 7.973 1.00 0.00 H new ATOM 0 HA SER A 74 -10.683 11.766 8.805 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.400 14.195 7.826 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.154 13.375 6.296 1.00 0.00 H new ATOM 0 HG SER A 74 -12.384 13.896 6.663 1.00 0.00 H new ATOM 1136 N TYR A 75 -9.926 9.703 7.566 1.00 0.00 N ATOM 1137 CA TYR A 75 -9.758 8.506 6.750 1.00 0.00 C ATOM 1138 C TYR A 75 -11.075 7.748 6.617 1.00 0.00 C ATOM 1139 O TYR A 75 -12.030 8.004 7.351 1.00 0.00 O ATOM 1140 CB TYR A 75 -8.692 7.594 7.359 1.00 0.00 C ATOM 1141 CG TYR A 75 -9.140 6.899 8.625 1.00 0.00 C ATOM 1142 CD1 TYR A 75 -9.861 5.713 8.572 1.00 0.00 C ATOM 1143 CD2 TYR A 75 -8.844 7.430 9.875 1.00 0.00 C ATOM 1144 CE1 TYR A 75 -10.273 5.075 9.726 1.00 0.00 C ATOM 1145 CE2 TYR A 75 -9.251 6.799 11.034 1.00 0.00 C ATOM 1146 CZ TYR A 75 -9.965 5.621 10.954 1.00 0.00 C ATOM 1147 OH TYR A 75 -10.374 4.990 12.107 1.00 0.00 O ATOM 0 H TYR A 75 -10.141 9.519 8.546 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.437 8.817 5.756 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -8.406 6.842 6.624 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.801 8.184 7.574 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -10.104 5.282 7.612 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -8.286 8.352 9.941 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -10.833 4.154 9.667 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -9.012 7.225 11.997 1.00 0.00 H new ATOM 0 HH TYR A 75 -10.075 5.505 12.885 1.00 0.00 H new ATOM 1157 N THR A 76 -11.120 6.812 5.673 1.00 0.00 N ATOM 1158 CA THR A 76 -12.318 6.017 5.442 1.00 0.00 C ATOM 1159 C THR A 76 -11.977 4.538 5.295 1.00 0.00 C ATOM 1160 O THR A 76 -11.027 4.177 4.601 1.00 0.00 O ATOM 1161 CB THR A 76 -13.070 6.486 4.182 1.00 0.00 C ATOM 1162 OG1 THR A 76 -13.297 7.899 4.245 1.00 0.00 O ATOM 1163 CG2 THR A 76 -14.398 5.759 4.041 1.00 0.00 C ATOM 0 H THR A 76 -10.339 6.587 5.056 1.00 0.00 H new ATOM 0 HA THR A 76 -12.960 6.155 6.312 1.00 0.00 H new ATOM 0 HB THR A 76 -12.455 6.255 3.312 1.00 0.00 H new ATOM 0 HG1 THR A 76 -13.774 8.190 3.440 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.910 6.107 3.144 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.219 4.687 3.963 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.018 5.961 4.914 1.00 0.00 H new ATOM 1171 N ASP A 77 -12.758 3.688 5.951 1.00 0.00 N ATOM 1172 CA ASP A 77 -12.539 2.247 5.892 1.00 0.00 C ATOM 1173 C ASP A 77 -13.099 1.665 4.597 1.00 0.00 C ATOM 1174 O ASP A 77 -14.308 1.477 4.461 1.00 0.00 O ATOM 1175 CB ASP A 77 -13.187 1.561 7.096 1.00 0.00 C ATOM 1176 CG ASP A 77 -12.259 1.494 8.293 1.00 0.00 C ATOM 1177 OD1 ASP A 77 -12.188 2.489 9.044 1.00 0.00 O ATOM 1178 OD2 ASP A 77 -11.604 0.448 8.478 1.00 0.00 O ATOM 0 H ASP A 77 -13.549 3.971 6.530 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.464 2.066 5.916 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -14.094 2.099 7.373 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.488 0.551 6.817 1.00 0.00 H new ATOM 1183 N PHE A 78 -12.212 1.383 3.649 1.00 0.00 N ATOM 1184 CA PHE A 78 -12.617 0.825 2.364 1.00 0.00 C ATOM 1185 C PHE A 78 -12.556 -0.699 2.390 1.00 0.00 C ATOM 1186 O PHE A 78 -11.505 -1.300 2.612 1.00 0.00 O ATOM 1187 CB PHE A 78 -11.723 1.363 1.245 1.00 0.00 C ATOM 1188 CG PHE A 78 -11.626 2.862 1.224 1.00 0.00 C ATOM 1189 CD1 PHE A 78 -12.692 3.632 0.788 1.00 0.00 C ATOM 1190 CD2 PHE A 78 -10.469 3.501 1.639 1.00 0.00 C ATOM 1191 CE1 PHE A 78 -12.607 5.011 0.767 1.00 0.00 C ATOM 1192 CE2 PHE A 78 -10.378 4.880 1.621 1.00 0.00 C ATOM 1193 CZ PHE A 78 -11.448 5.636 1.183 1.00 0.00 C ATOM 0 H PHE A 78 -11.208 1.532 3.746 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.647 1.127 2.174 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.723 0.944 1.356 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.108 1.018 0.285 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.601 3.149 0.461 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.629 2.915 1.980 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -13.446 5.599 0.426 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -9.471 5.366 1.949 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.378 6.714 1.166 1.00 0.00 H new ATOM 1203 N PRO A 79 -13.711 -1.341 2.158 1.00 0.00 N ATOM 1204 CA PRO A 79 -13.816 -2.803 2.150 1.00 0.00 C ATOM 1205 C PRO A 79 -13.115 -3.428 0.949 1.00 0.00 C ATOM 1206 O PRO A 79 -13.296 -2.986 -0.187 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.325 -3.050 2.075 1.00 0.00 C ATOM 1208 CG PRO A 79 -15.878 -1.824 1.433 1.00 0.00 C ATOM 1209 CD PRO A 79 -15.003 -0.689 1.886 1.00 0.00 C ATOM 0 HA PRO A 79 -13.339 -3.250 3.022 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.552 -3.941 1.489 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -15.751 -3.204 3.067 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.869 -1.914 0.347 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.914 -1.661 1.731 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.912 0.079 1.118 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.403 -0.204 2.776 1.00 0.00 H new ATOM 1217 N CYS A 80 -12.314 -4.456 1.206 1.00 0.00 N ATOM 1218 CA CYS A 80 -11.585 -5.141 0.145 1.00 0.00 C ATOM 1219 C CYS A 80 -12.420 -6.272 -0.447 1.00 0.00 C ATOM 1220 O CYS A 80 -13.436 -6.669 0.123 1.00 0.00 O ATOM 1221 CB CYS A 80 -10.263 -5.694 0.681 1.00 0.00 C ATOM 1222 SG CYS A 80 -9.001 -4.434 0.975 1.00 0.00 S ATOM 0 H CYS A 80 -12.153 -4.833 2.140 1.00 0.00 H new ATOM 0 HA CYS A 80 -11.376 -4.418 -0.643 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -10.455 -6.225 1.613 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -9.873 -6.425 -0.028 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.930 -4.180 2.248 1.00 0.00 H new ATOM 1228 N GLN A 81 -11.986 -6.784 -1.594 1.00 0.00 N ATOM 1229 CA GLN A 81 -12.696 -7.867 -2.264 1.00 0.00 C ATOM 1230 C GLN A 81 -11.779 -9.067 -2.480 1.00 0.00 C ATOM 1231 O GLN A 81 -10.580 -9.000 -2.212 1.00 0.00 O ATOM 1232 CB GLN A 81 -13.253 -7.387 -3.605 1.00 0.00 C ATOM 1233 CG GLN A 81 -12.186 -6.867 -4.556 1.00 0.00 C ATOM 1234 CD GLN A 81 -12.644 -6.865 -6.001 1.00 0.00 C ATOM 1235 OE1 GLN A 81 -13.270 -7.818 -6.468 1.00 0.00 O ATOM 1236 NE2 GLN A 81 -12.333 -5.792 -6.719 1.00 0.00 N ATOM 0 H GLN A 81 -11.147 -6.466 -2.079 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.523 -8.176 -1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -13.785 -8.209 -4.083 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.983 -6.598 -3.424 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -11.908 -5.854 -4.265 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -11.291 -7.482 -4.463 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.813 -5.026 -6.292 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.614 -5.734 -7.698 1.00 0.00 H new ATOM 1245 N TYR A 82 -12.352 -10.162 -2.965 1.00 0.00 N ATOM 1246 CA TYR A 82 -11.588 -11.379 -3.215 1.00 0.00 C ATOM 1247 C TYR A 82 -11.225 -11.501 -4.692 1.00 0.00 C ATOM 1248 O TYR A 82 -12.088 -11.405 -5.565 1.00 0.00 O ATOM 1249 CB TYR A 82 -12.383 -12.607 -2.770 1.00 0.00 C ATOM 1250 CG TYR A 82 -11.589 -13.892 -2.816 1.00 0.00 C ATOM 1251 CD1 TYR A 82 -11.159 -14.424 -4.026 1.00 0.00 C ATOM 1252 CD2 TYR A 82 -11.267 -14.575 -1.650 1.00 0.00 C ATOM 1253 CE1 TYR A 82 -10.433 -15.598 -4.073 1.00 0.00 C ATOM 1254 CE2 TYR A 82 -10.540 -15.750 -1.687 1.00 0.00 C ATOM 1255 CZ TYR A 82 -10.126 -16.257 -2.901 1.00 0.00 C ATOM 1256 OH TYR A 82 -9.402 -17.427 -2.943 1.00 0.00 O ATOM 0 H TYR A 82 -13.344 -10.233 -3.193 1.00 0.00 H new ATOM 0 HA TYR A 82 -10.666 -11.323 -2.636 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.742 -12.448 -1.753 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.262 -12.710 -3.406 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.397 -13.910 -4.946 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -11.590 -14.181 -0.698 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.108 -15.998 -5.022 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.298 -16.268 -0.771 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.270 -17.763 -2.032 1.00 0.00 H new ATOM 1266 N VAL A 83 -9.942 -11.714 -4.964 1.00 0.00 N ATOM 1267 CA VAL A 83 -9.463 -11.851 -6.334 1.00 0.00 C ATOM 1268 C VAL A 83 -9.416 -13.316 -6.755 1.00 0.00 C ATOM 1269 O VAL A 83 -8.543 -14.069 -6.324 1.00 0.00 O ATOM 1270 CB VAL A 83 -8.062 -11.234 -6.504 1.00 0.00 C ATOM 1271 CG1 VAL A 83 -7.583 -11.384 -7.940 1.00 0.00 C ATOM 1272 CG2 VAL A 83 -8.071 -9.771 -6.087 1.00 0.00 C ATOM 0 H VAL A 83 -9.215 -11.796 -4.253 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.167 -11.315 -6.971 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.367 -11.769 -5.857 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.592 -10.942 -8.041 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.537 -12.442 -8.200 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.277 -10.876 -8.610 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.073 -9.350 -6.213 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.778 -9.220 -6.707 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.368 -9.693 -5.041 1.00 0.00 H new ATOM 1415 N ASP A 93 -5.434 -16.590 0.133 1.00 0.00 N ATOM 1416 CA ASP A 93 -6.477 -15.606 -0.131 1.00 0.00 C ATOM 1417 C ASP A 93 -5.869 -14.254 -0.493 1.00 0.00 C ATOM 1418 O ASP A 93 -5.315 -13.561 0.361 1.00 0.00 O ATOM 1419 CB ASP A 93 -7.390 -15.459 1.087 1.00 0.00 C ATOM 1420 CG ASP A 93 -8.730 -14.843 0.734 1.00 0.00 C ATOM 1421 OD1 ASP A 93 -8.763 -13.957 -0.146 1.00 0.00 O ATOM 1422 OD2 ASP A 93 -9.745 -15.247 1.339 1.00 0.00 O ATOM 0 HA ASP A 93 -7.068 -15.957 -0.977 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.551 -16.438 1.537 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.895 -14.841 1.836 1.00 0.00 H new ATOM 1427 N THR A 94 -5.974 -13.885 -1.766 1.00 0.00 N ATOM 1428 CA THR A 94 -5.434 -12.618 -2.241 1.00 0.00 C ATOM 1429 C THR A 94 -6.531 -11.569 -2.381 1.00 0.00 C ATOM 1430 O THR A 94 -7.352 -11.632 -3.296 1.00 0.00 O ATOM 1431 CB THR A 94 -4.723 -12.784 -3.598 1.00 0.00 C ATOM 1432 OG1 THR A 94 -3.755 -13.836 -3.518 1.00 0.00 O ATOM 1433 CG2 THR A 94 -4.041 -11.490 -4.014 1.00 0.00 C ATOM 0 H THR A 94 -6.428 -14.446 -2.486 1.00 0.00 H new ATOM 0 HA THR A 94 -4.710 -12.285 -1.497 1.00 0.00 H new ATOM 0 HB THR A 94 -5.473 -13.037 -4.348 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.309 -13.936 -4.385 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.546 -11.632 -4.975 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.785 -10.699 -4.103 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.302 -11.210 -3.263 1.00 0.00 H new ATOM 1441 N PHE A 95 -6.541 -10.605 -1.467 1.00 0.00 N ATOM 1442 CA PHE A 95 -7.539 -9.542 -1.487 1.00 0.00 C ATOM 1443 C PHE A 95 -7.037 -8.341 -2.284 1.00 0.00 C ATOM 1444 O PHE A 95 -5.851 -8.015 -2.256 1.00 0.00 O ATOM 1445 CB PHE A 95 -7.887 -9.112 -0.061 1.00 0.00 C ATOM 1446 CG PHE A 95 -8.517 -10.203 0.757 1.00 0.00 C ATOM 1447 CD1 PHE A 95 -7.730 -11.124 1.430 1.00 0.00 C ATOM 1448 CD2 PHE A 95 -9.895 -10.308 0.852 1.00 0.00 C ATOM 1449 CE1 PHE A 95 -8.307 -12.129 2.184 1.00 0.00 C ATOM 1450 CE2 PHE A 95 -10.477 -11.311 1.604 1.00 0.00 C ATOM 1451 CZ PHE A 95 -9.682 -12.223 2.270 1.00 0.00 C ATOM 0 H PHE A 95 -5.869 -10.538 -0.703 1.00 0.00 H new ATOM 0 HA PHE A 95 -8.436 -9.929 -1.971 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.980 -8.772 0.439 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.567 -8.261 -0.102 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.654 -11.056 1.365 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.522 -9.598 0.333 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.683 -12.840 2.705 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.553 -11.382 1.671 1.00 0.00 H new ATOM 0 HZ PHE A 95 -10.135 -13.008 2.857 1.00 0.00 H new ATOM 1461 N SER A 96 -7.951 -7.687 -2.995 1.00 0.00 N ATOM 1462 CA SER A 96 -7.602 -6.525 -3.804 1.00 0.00 C ATOM 1463 C SER A 96 -8.332 -5.280 -3.309 1.00 0.00 C ATOM 1464 O SER A 96 -9.406 -5.371 -2.714 1.00 0.00 O ATOM 1465 CB SER A 96 -7.941 -6.779 -5.274 1.00 0.00 C ATOM 1466 OG SER A 96 -9.277 -7.228 -5.418 1.00 0.00 O ATOM 0 H SER A 96 -8.938 -7.942 -3.027 1.00 0.00 H new ATOM 0 HA SER A 96 -6.529 -6.357 -3.711 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.798 -5.863 -5.847 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.258 -7.522 -5.685 1.00 0.00 H new ATOM 0 HG SER A 96 -9.521 -7.229 -6.367 1.00 0.00 H new ATOM 1472 N PHE A 97 -7.741 -4.116 -3.561 1.00 0.00 N ATOM 1473 CA PHE A 97 -8.334 -2.852 -3.141 1.00 0.00 C ATOM 1474 C PHE A 97 -8.212 -1.802 -4.242 1.00 0.00 C ATOM 1475 O PHE A 97 -7.165 -1.671 -4.876 1.00 0.00 O ATOM 1476 CB PHE A 97 -7.660 -2.347 -1.863 1.00 0.00 C ATOM 1477 CG PHE A 97 -6.252 -1.871 -2.076 1.00 0.00 C ATOM 1478 CD1 PHE A 97 -6.004 -0.628 -2.635 1.00 0.00 C ATOM 1479 CD2 PHE A 97 -5.176 -2.667 -1.717 1.00 0.00 C ATOM 1480 CE1 PHE A 97 -4.708 -0.188 -2.832 1.00 0.00 C ATOM 1481 CE2 PHE A 97 -3.878 -2.232 -1.912 1.00 0.00 C ATOM 1482 CZ PHE A 97 -3.644 -0.990 -2.470 1.00 0.00 C ATOM 0 H PHE A 97 -6.853 -4.022 -4.054 1.00 0.00 H new ATOM 0 HA PHE A 97 -9.392 -3.024 -2.942 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -8.252 -1.531 -1.448 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -7.656 -3.147 -1.123 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.832 0.004 -2.920 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -5.353 -3.639 -1.280 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.528 0.783 -3.269 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.048 -2.862 -1.628 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.631 -0.647 -2.623 1.00 0.00 H new ATOM 1492 N ASP A 98 -9.290 -1.058 -4.463 1.00 0.00 N ATOM 1493 CA ASP A 98 -9.306 -0.019 -5.486 1.00 0.00 C ATOM 1494 C ASP A 98 -9.848 1.291 -4.923 1.00 0.00 C ATOM 1495 O ASP A 98 -11.060 1.482 -4.826 1.00 0.00 O ATOM 1496 CB ASP A 98 -10.150 -0.463 -6.681 1.00 0.00 C ATOM 1497 CG ASP A 98 -11.616 -0.619 -6.328 1.00 0.00 C ATOM 1498 OD1 ASP A 98 -11.911 -1.147 -5.235 1.00 0.00 O ATOM 1499 OD2 ASP A 98 -12.470 -0.213 -7.144 1.00 0.00 O ATOM 0 H ASP A 98 -10.165 -1.155 -3.947 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.281 0.146 -5.817 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -10.048 0.266 -7.485 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.768 -1.411 -7.060 1.00 0.00 H new ATOM 1504 N ILE A 99 -8.942 2.189 -4.552 1.00 0.00 N ATOM 1505 CA ILE A 99 -9.329 3.481 -3.999 1.00 0.00 C ATOM 1506 C ILE A 99 -9.257 4.577 -5.057 1.00 0.00 C ATOM 1507 O ILE A 99 -8.375 4.568 -5.915 1.00 0.00 O ATOM 1508 CB ILE A 99 -8.436 3.874 -2.807 1.00 0.00 C ATOM 1509 CG1 ILE A 99 -8.593 2.863 -1.669 1.00 0.00 C ATOM 1510 CG2 ILE A 99 -8.779 5.277 -2.328 1.00 0.00 C ATOM 1511 CD1 ILE A 99 -7.358 2.731 -0.805 1.00 0.00 C ATOM 0 H ILE A 99 -7.935 2.046 -4.624 1.00 0.00 H new ATOM 0 HA ILE A 99 -10.358 3.380 -3.654 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.396 3.867 -3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.435 3.160 -1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.838 1.888 -2.091 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.140 5.540 -1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.621 5.987 -3.139 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -9.823 5.310 -2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.540 1.998 -0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -6.518 2.404 -1.418 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.124 3.696 -0.354 1.00 0.00 H new ATOM 1523 N SER A 100 -10.191 5.520 -4.989 1.00 0.00 N ATOM 1524 CA SER A 100 -10.235 6.622 -5.942 1.00 0.00 C ATOM 1525 C SER A 100 -9.630 7.886 -5.339 1.00 0.00 C ATOM 1526 O SER A 100 -10.045 8.340 -4.272 1.00 0.00 O ATOM 1527 CB SER A 100 -11.677 6.891 -6.377 1.00 0.00 C ATOM 1528 OG SER A 100 -12.516 7.109 -5.256 1.00 0.00 O ATOM 0 H SER A 100 -10.927 5.543 -4.284 1.00 0.00 H new ATOM 0 HA SER A 100 -9.647 6.339 -6.815 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.706 7.762 -7.032 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.050 6.045 -6.955 1.00 0.00 H new ATOM 0 HG SER A 100 -11.980 7.444 -4.507 1.00 0.00 H new ATOM 1534 N LEU A 101 -8.646 8.451 -6.030 1.00 0.00 N ATOM 1535 CA LEU A 101 -7.982 9.664 -5.565 1.00 0.00 C ATOM 1536 C LEU A 101 -8.906 10.872 -5.687 1.00 0.00 C ATOM 1537 O LEU A 101 -9.805 10.914 -6.527 1.00 0.00 O ATOM 1538 CB LEU A 101 -6.700 9.905 -6.363 1.00 0.00 C ATOM 1539 CG LEU A 101 -5.641 8.805 -6.281 1.00 0.00 C ATOM 1540 CD1 LEU A 101 -4.537 9.050 -7.297 1.00 0.00 C ATOM 1541 CD2 LEU A 101 -5.065 8.724 -4.874 1.00 0.00 C ATOM 0 H LEU A 101 -8.290 8.089 -6.915 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.728 9.529 -4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.969 10.046 -7.410 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.253 10.838 -6.021 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.116 7.852 -6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.793 8.257 -7.224 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.962 9.058 -8.301 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.064 10.011 -7.096 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.313 7.936 -4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.606 9.678 -4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.863 8.500 -4.166 1.00 0.00 H new ATOM 1553 N PRO A 102 -8.680 11.879 -4.830 1.00 0.00 N ATOM 1554 CA PRO A 102 -9.479 13.107 -4.824 1.00 0.00 C ATOM 1555 C PRO A 102 -9.227 13.969 -6.057 1.00 0.00 C ATOM 1556 O PRO A 102 -8.214 13.813 -6.737 1.00 0.00 O ATOM 1557 CB PRO A 102 -9.008 13.831 -3.560 1.00 0.00 C ATOM 1558 CG PRO A 102 -7.628 13.322 -3.324 1.00 0.00 C ATOM 1559 CD PRO A 102 -7.626 11.896 -3.802 1.00 0.00 C ATOM 0 HA PRO A 102 -10.549 12.897 -4.838 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.013 14.912 -3.698 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.660 13.615 -2.714 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.894 13.917 -3.868 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.366 13.380 -2.268 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.658 11.612 -4.214 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.844 11.200 -2.992 1.00 0.00 H new ATOM 1687 N ARG A 110 -0.753 15.771 4.399 1.00 0.00 N ATOM 1688 CA ARG A 110 -0.103 14.533 3.987 1.00 0.00 C ATOM 1689 C ARG A 110 -1.135 13.499 3.546 1.00 0.00 C ATOM 1690 O ARG A 110 -2.326 13.641 3.818 1.00 0.00 O ATOM 1691 CB ARG A 110 0.742 13.970 5.131 1.00 0.00 C ATOM 1692 CG ARG A 110 1.946 13.169 4.663 1.00 0.00 C ATOM 1693 CD ARG A 110 2.912 12.897 5.804 1.00 0.00 C ATOM 1694 NE ARG A 110 3.669 11.664 5.599 1.00 0.00 N ATOM 1695 CZ ARG A 110 4.802 11.383 6.232 1.00 0.00 C ATOM 1696 NH1 ARG A 110 5.308 12.243 7.106 1.00 0.00 N ATOM 1697 NH2 ARG A 110 5.432 10.241 5.991 1.00 0.00 N ATOM 0 HA ARG A 110 0.547 14.757 3.141 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.085 14.794 5.757 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.115 13.335 5.756 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.611 12.224 4.235 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.461 13.713 3.871 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.603 13.734 5.901 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.358 12.831 6.740 1.00 0.00 H new ATOM 0 HE ARG A 110 3.307 10.982 4.933 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.827 13.123 7.293 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.178 12.025 7.591 1.00 0.00 H new ATOM 0 HH21 ARG A 110 5.046 9.578 5.319 1.00 0.00 H new ATOM 0 HH22 ARG A 110 6.302 10.026 6.478 1.00 0.00 H new ATOM 1711 N MET A 111 -0.667 12.458 2.863 1.00 0.00 N ATOM 1712 CA MET A 111 -1.549 11.400 2.385 1.00 0.00 C ATOM 1713 C MET A 111 -0.871 10.038 2.492 1.00 0.00 C ATOM 1714 O MET A 111 0.125 9.777 1.818 1.00 0.00 O ATOM 1715 CB MET A 111 -1.961 11.666 0.936 1.00 0.00 C ATOM 1716 CG MET A 111 -2.660 10.488 0.277 1.00 0.00 C ATOM 1717 SD MET A 111 -3.342 10.901 -1.340 1.00 0.00 S ATOM 1718 CE MET A 111 -1.856 11.371 -2.223 1.00 0.00 C ATOM 0 H MET A 111 0.317 12.325 2.629 1.00 0.00 H new ATOM 0 HA MET A 111 -2.440 11.393 3.012 1.00 0.00 H new ATOM 0 HB2 MET A 111 -2.622 12.532 0.908 1.00 0.00 H new ATOM 0 HB3 MET A 111 -1.074 11.923 0.356 1.00 0.00 H new ATOM 0 HG2 MET A 111 -1.953 9.665 0.170 1.00 0.00 H new ATOM 0 HG3 MET A 111 -3.462 10.137 0.926 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.900 10.985 -3.241 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.777 12.458 -2.250 1.00 0.00 H new ATOM 0 HE3 MET A 111 -0.985 10.957 -1.715 1.00 0.00 H new ATOM 1728 N GLU A 112 -1.417 9.174 3.342 1.00 0.00 N ATOM 1729 CA GLU A 112 -0.863 7.840 3.536 1.00 0.00 C ATOM 1730 C GLU A 112 -1.975 6.802 3.661 1.00 0.00 C ATOM 1731 O GLU A 112 -3.149 7.146 3.791 1.00 0.00 O ATOM 1732 CB GLU A 112 0.022 7.808 4.784 1.00 0.00 C ATOM 1733 CG GLU A 112 1.074 8.904 4.812 1.00 0.00 C ATOM 1734 CD GLU A 112 0.567 10.181 5.454 1.00 0.00 C ATOM 1735 OE1 GLU A 112 -0.186 10.922 4.788 1.00 0.00 O ATOM 1736 OE2 GLU A 112 0.925 10.440 6.622 1.00 0.00 O ATOM 0 H GLU A 112 -2.242 9.374 3.907 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.257 7.595 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.608 7.898 5.669 1.00 0.00 H new ATOM 0 HB3 GLU A 112 0.517 6.839 4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.949 8.550 5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.399 9.117 3.794 1.00 0.00 H new ATOM 1743 N PHE A 113 -1.595 5.529 3.620 1.00 0.00 N ATOM 1744 CA PHE A 113 -2.558 4.440 3.727 1.00 0.00 C ATOM 1745 C PHE A 113 -1.923 3.213 4.374 1.00 0.00 C ATOM 1746 O PHE A 113 -0.769 2.882 4.103 1.00 0.00 O ATOM 1747 CB PHE A 113 -3.104 4.076 2.345 1.00 0.00 C ATOM 1748 CG PHE A 113 -2.265 3.066 1.616 1.00 0.00 C ATOM 1749 CD1 PHE A 113 -2.299 1.729 1.975 1.00 0.00 C ATOM 1750 CD2 PHE A 113 -1.443 3.455 0.570 1.00 0.00 C ATOM 1751 CE1 PHE A 113 -1.528 0.797 1.306 1.00 0.00 C ATOM 1752 CE2 PHE A 113 -0.670 2.527 -0.103 1.00 0.00 C ATOM 1753 CZ PHE A 113 -0.712 1.197 0.266 1.00 0.00 C ATOM 0 H PHE A 113 -0.627 5.227 3.513 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.380 4.777 4.358 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.116 3.685 2.454 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.175 4.981 1.741 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.935 1.411 2.787 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.406 4.494 0.278 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.564 -0.243 1.596 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.034 2.842 -0.917 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.108 0.471 -0.258 1.00 0.00 H new ATOM 1763 N ALA A 114 -2.685 2.542 5.232 1.00 0.00 N ATOM 1764 CA ALA A 114 -2.197 1.351 5.917 1.00 0.00 C ATOM 1765 C ALA A 114 -3.146 0.174 5.713 1.00 0.00 C ATOM 1766 O ALA A 114 -4.319 0.358 5.390 1.00 0.00 O ATOM 1767 CB ALA A 114 -2.014 1.633 7.400 1.00 0.00 C ATOM 0 H ALA A 114 -3.642 2.803 5.469 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.231 1.084 5.488 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.649 0.735 7.899 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.292 2.439 7.531 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.969 1.927 7.835 1.00 0.00 H new ATOM 1773 N VAL A 115 -2.629 -1.036 5.904 1.00 0.00 N ATOM 1774 CA VAL A 115 -3.430 -2.243 5.741 1.00 0.00 C ATOM 1775 C VAL A 115 -3.957 -2.738 7.084 1.00 0.00 C ATOM 1776 O VAL A 115 -3.232 -2.752 8.080 1.00 0.00 O ATOM 1777 CB VAL A 115 -2.619 -3.370 5.074 1.00 0.00 C ATOM 1778 CG1 VAL A 115 -3.477 -4.613 4.898 1.00 0.00 C ATOM 1779 CG2 VAL A 115 -2.061 -2.903 3.737 1.00 0.00 C ATOM 0 H VAL A 115 -1.660 -1.206 6.172 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.270 -1.981 5.098 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.781 -3.626 5.723 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.887 -5.398 4.425 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -3.824 -4.957 5.873 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.336 -4.376 4.270 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.491 -3.711 3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -2.882 -2.620 3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.410 -2.043 3.895 1.00 0.00 H new ATOM 1789 N TYR A 116 -5.221 -3.145 7.104 1.00 0.00 N ATOM 1790 CA TYR A 116 -5.846 -3.639 8.325 1.00 0.00 C ATOM 1791 C TYR A 116 -6.414 -5.040 8.118 1.00 0.00 C ATOM 1792 O TYR A 116 -7.508 -5.204 7.576 1.00 0.00 O ATOM 1793 CB TYR A 116 -6.955 -2.688 8.777 1.00 0.00 C ATOM 1794 CG TYR A 116 -8.086 -3.379 9.505 1.00 0.00 C ATOM 1795 CD1 TYR A 116 -7.838 -4.442 10.365 1.00 0.00 C ATOM 1796 CD2 TYR A 116 -9.402 -2.968 9.334 1.00 0.00 C ATOM 1797 CE1 TYR A 116 -8.868 -5.076 11.032 1.00 0.00 C ATOM 1798 CE2 TYR A 116 -10.438 -3.596 9.998 1.00 0.00 C ATOM 1799 CZ TYR A 116 -10.166 -4.649 10.846 1.00 0.00 C ATOM 1800 OH TYR A 116 -11.195 -5.278 11.509 1.00 0.00 O ATOM 0 H TYR A 116 -5.833 -3.143 6.288 1.00 0.00 H new ATOM 0 HA TYR A 116 -5.081 -3.688 9.100 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -6.526 -1.927 9.429 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -7.357 -2.172 7.905 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.823 -4.778 10.514 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.619 -2.144 8.671 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.658 -5.902 11.696 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.456 -3.264 9.854 1.00 0.00 H new ATOM 0 HH TYR A 116 -11.242 -6.215 11.226 1.00 0.00 H new ATOM 1810 N TYR A 117 -5.664 -6.046 8.553 1.00 0.00 N ATOM 1811 CA TYR A 117 -6.091 -7.433 8.414 1.00 0.00 C ATOM 1812 C TYR A 117 -6.608 -7.980 9.742 1.00 0.00 C ATOM 1813 O TYR A 117 -5.967 -7.824 10.780 1.00 0.00 O ATOM 1814 CB TYR A 117 -4.934 -8.297 7.910 1.00 0.00 C ATOM 1815 CG TYR A 117 -5.274 -9.767 7.809 1.00 0.00 C ATOM 1816 CD1 TYR A 117 -6.423 -10.190 7.153 1.00 0.00 C ATOM 1817 CD2 TYR A 117 -4.446 -10.732 8.369 1.00 0.00 C ATOM 1818 CE1 TYR A 117 -6.739 -11.532 7.059 1.00 0.00 C ATOM 1819 CE2 TYR A 117 -4.752 -12.076 8.278 1.00 0.00 C ATOM 1820 CZ TYR A 117 -5.900 -12.471 7.623 1.00 0.00 C ATOM 1821 OH TYR A 117 -6.210 -13.808 7.530 1.00 0.00 O ATOM 0 H TYR A 117 -4.757 -5.927 9.005 1.00 0.00 H new ATOM 0 HA TYR A 117 -6.903 -7.465 7.688 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.623 -7.937 6.929 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.082 -8.175 8.579 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -7.081 -9.458 6.709 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.548 -10.426 8.884 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -7.637 -11.844 6.547 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -4.096 -12.813 8.717 1.00 0.00 H new ATOM 0 HH TYR A 117 -6.668 -14.095 8.348 1.00 0.00 H new ATOM 1831 N GLU A 118 -7.771 -8.621 9.697 1.00 0.00 N ATOM 1832 CA GLU A 118 -8.374 -9.191 10.897 1.00 0.00 C ATOM 1833 C GLU A 118 -8.521 -10.704 10.765 1.00 0.00 C ATOM 1834 O GLU A 118 -8.914 -11.211 9.714 1.00 0.00 O ATOM 1835 CB GLU A 118 -9.742 -8.556 11.158 1.00 0.00 C ATOM 1836 CG GLU A 118 -10.101 -8.470 12.631 1.00 0.00 C ATOM 1837 CD GLU A 118 -11.586 -8.259 12.858 1.00 0.00 C ATOM 1838 OE1 GLU A 118 -12.264 -7.773 11.929 1.00 0.00 O ATOM 1839 OE2 GLU A 118 -12.069 -8.578 13.965 1.00 0.00 O ATOM 0 H GLU A 118 -8.314 -8.759 8.845 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.716 -8.979 11.740 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.756 -7.554 10.730 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.507 -9.134 10.639 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.787 -9.386 13.132 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.547 -7.650 13.089 1.00 0.00 H new ATOM 1846 N CYS A 119 -8.203 -11.419 11.839 1.00 0.00 N ATOM 1847 CA CYS A 119 -8.298 -12.874 11.844 1.00 0.00 C ATOM 1848 C CYS A 119 -7.996 -13.434 13.230 1.00 0.00 C ATOM 1849 O CYS A 119 -7.070 -12.983 13.904 1.00 0.00 O ATOM 1850 CB CYS A 119 -7.335 -13.473 10.817 1.00 0.00 C ATOM 1851 SG CYS A 119 -7.815 -15.112 10.223 1.00 0.00 S ATOM 0 H CYS A 119 -7.877 -11.015 12.717 1.00 0.00 H new ATOM 0 HA CYS A 119 -9.319 -13.147 11.576 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -7.262 -12.797 9.965 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -6.341 -13.536 11.260 1.00 0.00 H new ATOM 0 HG CYS A 119 -7.457 -16.010 11.092 1.00 0.00 H new ATOM 1857 N ASN A 120 -8.784 -14.418 13.650 1.00 0.00 N ATOM 1858 CA ASN A 120 -8.601 -15.038 14.957 1.00 0.00 C ATOM 1859 C ASN A 120 -8.720 -14.003 16.072 1.00 0.00 C ATOM 1860 O ASN A 120 -7.878 -13.940 16.967 1.00 0.00 O ATOM 1861 CB ASN A 120 -7.238 -15.730 15.031 1.00 0.00 C ATOM 1862 CG ASN A 120 -7.161 -16.952 14.136 1.00 0.00 C ATOM 1863 OD1 ASN A 120 -6.573 -16.785 12.957 1.00 0.00 O flip ATOM 1864 ND2 ASN A 120 -7.624 -18.033 14.501 1.00 0.00 N flip ATOM 0 H ASN A 120 -9.555 -14.803 13.105 1.00 0.00 H new ATOM 0 HA ASN A 120 -9.386 -15.782 15.091 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.459 -15.024 14.745 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -7.038 -16.024 16.061 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.067 -18.115 15.416 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -7.564 -18.846 13.888 1.00 0.00 H new ATOM 1871 N GLY A 121 -9.771 -13.192 16.010 1.00 0.00 N ATOM 1872 CA GLY A 121 -9.981 -12.171 17.019 1.00 0.00 C ATOM 1873 C GLY A 121 -8.773 -11.272 17.195 1.00 0.00 C ATOM 1874 O GLY A 121 -8.517 -10.775 18.290 1.00 0.00 O ATOM 0 H GLY A 121 -10.481 -13.224 15.279 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.844 -11.565 16.744 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -10.217 -12.648 17.970 1.00 0.00 H new ATOM 1878 N GLN A 122 -8.029 -11.066 16.113 1.00 0.00 N ATOM 1879 CA GLN A 122 -6.840 -10.223 16.154 1.00 0.00 C ATOM 1880 C GLN A 122 -6.911 -9.129 15.094 1.00 0.00 C ATOM 1881 O GLN A 122 -7.703 -9.210 14.155 1.00 0.00 O ATOM 1882 CB GLN A 122 -5.582 -11.069 15.948 1.00 0.00 C ATOM 1883 CG GLN A 122 -5.246 -11.959 17.134 1.00 0.00 C ATOM 1884 CD GLN A 122 -3.830 -12.496 17.077 1.00 0.00 C ATOM 1885 OE1 GLN A 122 -3.597 -13.621 16.634 1.00 0.00 O ATOM 1886 NE2 GLN A 122 -2.873 -11.692 17.527 1.00 0.00 N ATOM 0 H GLN A 122 -8.228 -11.471 15.198 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.795 -9.750 17.135 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -5.714 -11.692 15.063 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -4.738 -10.408 15.750 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -5.380 -11.394 18.057 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -5.946 -12.794 17.167 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -3.111 -10.767 17.886 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -1.901 -11.999 17.514 1.00 0.00 H new ATOM 1895 N THR A 123 -6.077 -8.105 15.250 1.00 0.00 N ATOM 1896 CA THR A 123 -6.046 -6.994 14.307 1.00 0.00 C ATOM 1897 C THR A 123 -4.617 -6.665 13.893 1.00 0.00 C ATOM 1898 O THR A 123 -3.903 -5.954 14.600 1.00 0.00 O ATOM 1899 CB THR A 123 -6.699 -5.734 14.903 1.00 0.00 C ATOM 1900 OG1 THR A 123 -7.987 -6.056 15.440 1.00 0.00 O ATOM 1901 CG2 THR A 123 -6.842 -4.647 13.848 1.00 0.00 C ATOM 0 H THR A 123 -5.414 -8.022 16.021 1.00 0.00 H new ATOM 0 HA THR A 123 -6.612 -7.307 13.430 1.00 0.00 H new ATOM 0 HB THR A 123 -6.056 -5.362 15.701 1.00 0.00 H new ATOM 0 HG1 THR A 123 -8.395 -5.249 15.819 1.00 0.00 H new ATOM 0 HG21 THR A 123 -7.306 -3.767 14.293 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.857 -4.382 13.462 1.00 0.00 H new ATOM 0 HG23 THR A 123 -7.465 -5.012 13.032 1.00 0.00 H new ATOM 1909 N TYR A 124 -4.205 -7.185 12.742 1.00 0.00 N ATOM 1910 CA TYR A 124 -2.859 -6.947 12.234 1.00 0.00 C ATOM 1911 C TYR A 124 -2.802 -5.653 11.428 1.00 0.00 C ATOM 1912 O TYR A 124 -3.559 -5.468 10.475 1.00 0.00 O ATOM 1913 CB TYR A 124 -2.403 -8.121 11.367 1.00 0.00 C ATOM 1914 CG TYR A 124 -2.587 -9.469 12.028 1.00 0.00 C ATOM 1915 CD1 TYR A 124 -1.793 -9.853 13.101 1.00 0.00 C ATOM 1916 CD2 TYR A 124 -3.556 -10.358 11.579 1.00 0.00 C ATOM 1917 CE1 TYR A 124 -1.957 -11.083 13.707 1.00 0.00 C ATOM 1918 CE2 TYR A 124 -3.728 -11.590 12.180 1.00 0.00 C ATOM 1919 CZ TYR A 124 -2.926 -11.948 13.243 1.00 0.00 C ATOM 1920 OH TYR A 124 -3.094 -13.174 13.845 1.00 0.00 O ATOM 0 H TYR A 124 -4.784 -7.774 12.143 1.00 0.00 H new ATOM 0 HA TYR A 124 -2.188 -6.852 13.088 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -2.958 -8.107 10.429 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -1.350 -7.989 11.116 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -1.034 -9.178 13.468 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -4.185 -10.081 10.746 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -1.330 -11.366 14.540 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -4.486 -12.269 11.819 1.00 0.00 H new ATOM 0 HH TYR A 124 -2.908 -13.096 14.804 1.00 0.00 H new ATOM 1930 N TRP A 125 -1.898 -4.761 11.817 1.00 0.00 N ATOM 1931 CA TRP A 125 -1.741 -3.483 11.130 1.00 0.00 C ATOM 1932 C TRP A 125 -0.381 -3.397 10.445 1.00 0.00 C ATOM 1933 O TRP A 125 0.659 -3.460 11.101 1.00 0.00 O ATOM 1934 CB TRP A 125 -1.902 -2.327 12.118 1.00 0.00 C ATOM 1935 CG TRP A 125 -3.329 -2.056 12.488 1.00 0.00 C ATOM 1936 CD1 TRP A 125 -3.979 -2.480 13.612 1.00 0.00 C ATOM 1937 CD2 TRP A 125 -4.283 -1.304 11.731 1.00 0.00 C ATOM 1938 NE1 TRP A 125 -5.279 -2.036 13.599 1.00 0.00 N ATOM 1939 CE2 TRP A 125 -5.491 -1.311 12.456 1.00 0.00 C ATOM 1940 CE3 TRP A 125 -4.234 -0.622 10.512 1.00 0.00 C ATOM 1941 CZ2 TRP A 125 -6.636 -0.665 12.000 1.00 0.00 C ATOM 1942 CZ3 TRP A 125 -5.373 0.018 10.061 1.00 0.00 C ATOM 1943 CH2 TRP A 125 -6.560 -0.006 10.804 1.00 0.00 C ATOM 0 H TRP A 125 -1.263 -4.898 12.603 1.00 0.00 H new ATOM 0 HA TRP A 125 -2.516 -3.411 10.367 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -1.336 -2.550 13.022 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -1.469 -1.425 11.685 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -3.536 -3.077 14.396 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -5.974 -2.217 14.323 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -3.323 -0.596 9.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -7.553 -0.683 12.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -5.347 0.546 9.119 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -7.432 0.506 10.425 1.00 0.00 H new ATOM 1954 N ASP A 126 -0.397 -3.253 9.125 1.00 0.00 N ATOM 1955 CA ASP A 126 0.836 -3.157 8.352 1.00 0.00 C ATOM 1956 C ASP A 126 1.000 -1.759 7.762 1.00 0.00 C ATOM 1957 O ASP A 126 0.411 -1.438 6.729 1.00 0.00 O ATOM 1958 CB ASP A 126 0.844 -4.200 7.234 1.00 0.00 C ATOM 1959 CG ASP A 126 2.075 -4.096 6.354 1.00 0.00 C ATOM 1960 OD1 ASP A 126 2.460 -2.961 6.003 1.00 0.00 O ATOM 1961 OD2 ASP A 126 2.653 -5.150 6.017 1.00 0.00 O ATOM 0 H ASP A 126 -1.250 -3.200 8.568 1.00 0.00 H new ATOM 0 HA ASP A 126 1.673 -3.349 9.023 1.00 0.00 H new ATOM 0 HB2 ASP A 126 0.797 -5.197 7.671 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -0.049 -4.078 6.621 1.00 0.00 H new ATOM 1966 N SER A 127 1.802 -0.933 8.425 1.00 0.00 N ATOM 1967 CA SER A 127 2.039 0.432 7.968 1.00 0.00 C ATOM 1968 C SER A 127 3.364 0.531 7.219 1.00 0.00 C ATOM 1969 O SER A 127 4.416 0.743 7.821 1.00 0.00 O ATOM 1970 CB SER A 127 2.039 1.396 9.156 1.00 0.00 C ATOM 1971 OG SER A 127 3.238 1.287 9.903 1.00 0.00 O ATOM 0 H SER A 127 2.299 -1.184 9.280 1.00 0.00 H new ATOM 0 HA SER A 127 1.234 0.706 7.286 1.00 0.00 H new ATOM 0 HB2 SER A 127 1.922 2.419 8.798 1.00 0.00 H new ATOM 0 HB3 SER A 127 1.185 1.184 9.800 1.00 0.00 H new ATOM 0 HG SER A 127 4.003 1.484 9.324 1.00 0.00 H new ATOM 1977 N ASN A 128 3.304 0.377 5.900 1.00 0.00 N ATOM 1978 CA ASN A 128 4.499 0.449 5.067 1.00 0.00 C ATOM 1979 C ASN A 128 5.661 -0.294 5.718 1.00 0.00 C ATOM 1980 O ASN A 128 6.792 0.194 5.735 1.00 0.00 O ATOM 1981 CB ASN A 128 4.886 1.908 4.819 1.00 0.00 C ATOM 1982 CG ASN A 128 6.201 2.039 4.075 1.00 0.00 C ATOM 1983 OD1 ASN A 128 6.555 1.185 3.261 1.00 0.00 O ATOM 1984 ND2 ASN A 128 6.934 3.111 4.353 1.00 0.00 N ATOM 0 H ASN A 128 2.441 0.202 5.385 1.00 0.00 H new ATOM 0 HA ASN A 128 4.276 -0.028 4.112 1.00 0.00 H new ATOM 0 HB2 ASN A 128 4.098 2.398 4.247 1.00 0.00 H new ATOM 0 HB3 ASN A 128 4.958 2.429 5.774 1.00 0.00 H new ATOM 0 HD21 ASN A 128 7.829 3.252 3.885 1.00 0.00 H new ATOM 0 HD22 ASN A 128 6.602 3.793 5.035 1.00 0.00 H new ATOM 1991 N ARG A 129 5.376 -1.477 6.252 1.00 0.00 N ATOM 1992 CA ARG A 129 6.397 -2.287 6.905 1.00 0.00 C ATOM 1993 C ARG A 129 7.416 -1.404 7.620 1.00 0.00 C ATOM 1994 O ARG A 129 8.616 -1.675 7.591 1.00 0.00 O ATOM 1995 CB ARG A 129 7.106 -3.175 5.881 1.00 0.00 C ATOM 1996 CG ARG A 129 7.615 -2.417 4.666 1.00 0.00 C ATOM 1997 CD ARG A 129 8.155 -3.363 3.605 1.00 0.00 C ATOM 1998 NE ARG A 129 9.577 -3.640 3.791 1.00 0.00 N ATOM 1999 CZ ARG A 129 10.532 -2.734 3.614 1.00 0.00 C ATOM 2000 NH1 ARG A 129 10.218 -1.499 3.249 1.00 0.00 N ATOM 2001 NH2 ARG A 129 11.803 -3.063 3.803 1.00 0.00 N ATOM 0 H ARG A 129 4.446 -1.896 6.245 1.00 0.00 H new ATOM 0 HA ARG A 129 5.906 -2.919 7.645 1.00 0.00 H new ATOM 0 HB2 ARG A 129 7.945 -3.674 6.365 1.00 0.00 H new ATOM 0 HB3 ARG A 129 6.419 -3.954 5.551 1.00 0.00 H new ATOM 0 HG2 ARG A 129 6.807 -1.819 4.244 1.00 0.00 H new ATOM 0 HG3 ARG A 129 8.399 -1.724 4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 129 7.596 -4.299 3.635 1.00 0.00 H new ATOM 0 HD3 ARG A 129 7.996 -2.929 2.618 1.00 0.00 H new ATOM 0 HE ARG A 129 9.852 -4.581 4.072 1.00 0.00 H new ATOM 0 HH11 ARG A 129 9.241 -1.243 3.104 1.00 0.00 H new ATOM 0 HH12 ARG A 129 10.953 -0.805 3.114 1.00 0.00 H new ATOM 0 HH21 ARG A 129 12.048 -4.012 4.084 1.00 0.00 H new ATOM 0 HH22 ARG A 129 12.536 -2.367 3.667 1.00 0.00 H new ATOM 2015 N GLY A 130 6.929 -0.346 8.261 1.00 0.00 N ATOM 2016 CA GLY A 130 7.810 0.560 8.974 1.00 0.00 C ATOM 2017 C GLY A 130 7.082 1.780 9.503 1.00 0.00 C ATOM 2018 O GLY A 130 6.636 1.797 10.650 1.00 0.00 O ATOM 0 H GLY A 130 5.940 -0.100 8.299 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.276 0.030 9.805 1.00 0.00 H new ATOM 0 HA3 GLY A 130 8.613 0.879 8.309 1.00 0.00 H new ATOM 2022 N LYS A 131 6.964 2.805 8.667 1.00 0.00 N ATOM 2023 CA LYS A 131 6.286 4.036 9.056 1.00 0.00 C ATOM 2024 C LYS A 131 4.945 4.169 8.339 1.00 0.00 C ATOM 2025 O LYS A 131 3.887 4.063 8.958 1.00 0.00 O ATOM 2026 CB LYS A 131 7.166 5.248 8.742 1.00 0.00 C ATOM 2027 CG LYS A 131 8.513 5.219 9.443 1.00 0.00 C ATOM 2028 CD LYS A 131 8.396 5.652 10.895 1.00 0.00 C ATOM 2029 CE LYS A 131 8.457 7.165 11.032 1.00 0.00 C ATOM 2030 NZ LYS A 131 8.132 7.610 12.416 1.00 0.00 N ATOM 0 H LYS A 131 7.329 2.808 7.715 1.00 0.00 H new ATOM 0 HA LYS A 131 6.102 3.996 10.130 1.00 0.00 H new ATOM 0 HB2 LYS A 131 7.327 5.300 7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 131 6.636 6.156 9.029 1.00 0.00 H new ATOM 0 HG2 LYS A 131 8.927 4.212 9.395 1.00 0.00 H new ATOM 0 HG3 LYS A 131 9.210 5.876 8.922 1.00 0.00 H new ATOM 0 HD2 LYS A 131 7.457 5.286 11.310 1.00 0.00 H new ATOM 0 HD3 LYS A 131 9.200 5.200 11.476 1.00 0.00 H new ATOM 0 HE2 LYS A 131 9.454 7.514 10.763 1.00 0.00 H new ATOM 0 HE3 LYS A 131 7.759 7.622 10.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 8.184 8.647 12.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 7.171 7.299 12.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 8.813 7.195 13.083 1.00 0.00 H new ATOM 2044 N ASN A 132 4.999 4.399 7.031 1.00 0.00 N ATOM 2045 CA ASN A 132 3.789 4.545 6.231 1.00 0.00 C ATOM 2046 C ASN A 132 4.129 4.679 4.750 1.00 0.00 C ATOM 2047 O ASN A 132 5.260 5.004 4.389 1.00 0.00 O ATOM 2048 CB ASN A 132 2.990 5.765 6.694 1.00 0.00 C ATOM 2049 CG ASN A 132 3.883 6.904 7.146 1.00 0.00 C ATOM 2050 OD1 ASN A 132 5.040 7.000 6.737 1.00 0.00 O ATOM 2051 ND2 ASN A 132 3.349 7.774 7.995 1.00 0.00 N ATOM 0 H ASN A 132 5.867 4.488 6.503 1.00 0.00 H new ATOM 0 HA ASN A 132 3.183 3.649 6.367 1.00 0.00 H new ATOM 0 HB2 ASN A 132 2.352 6.108 5.880 1.00 0.00 H new ATOM 0 HB3 ASN A 132 2.332 5.475 7.514 1.00 0.00 H new ATOM 0 HD21 ASN A 132 3.902 8.561 8.334 1.00 0.00 H new ATOM 0 HD22 ASN A 132 2.385 7.656 8.308 1.00 0.00 H new ATOM 2058 N TYR A 133 3.142 4.428 3.897 1.00 0.00 N ATOM 2059 CA TYR A 133 3.337 4.519 2.454 1.00 0.00 C ATOM 2060 C TYR A 133 3.170 5.956 1.972 1.00 0.00 C ATOM 2061 O TYR A 133 2.082 6.363 1.563 1.00 0.00 O ATOM 2062 CB TYR A 133 2.348 3.606 1.727 1.00 0.00 C ATOM 2063 CG TYR A 133 2.711 2.140 1.800 1.00 0.00 C ATOM 2064 CD1 TYR A 133 3.919 1.677 1.293 1.00 0.00 C ATOM 2065 CD2 TYR A 133 1.846 1.218 2.375 1.00 0.00 C ATOM 2066 CE1 TYR A 133 4.254 0.339 1.356 1.00 0.00 C ATOM 2067 CE2 TYR A 133 2.174 -0.122 2.445 1.00 0.00 C ATOM 2068 CZ TYR A 133 3.379 -0.557 1.934 1.00 0.00 C ATOM 2069 OH TYR A 133 3.708 -1.891 2.000 1.00 0.00 O ATOM 0 H TYR A 133 2.199 4.160 4.179 1.00 0.00 H new ATOM 0 HA TYR A 133 4.353 4.196 2.228 1.00 0.00 H new ATOM 0 HB2 TYR A 133 1.355 3.747 2.153 1.00 0.00 H new ATOM 0 HB3 TYR A 133 2.291 3.906 0.681 1.00 0.00 H new ATOM 0 HD1 TYR A 133 4.608 2.376 0.842 1.00 0.00 H new ATOM 0 HD2 TYR A 133 0.901 1.555 2.774 1.00 0.00 H new ATOM 0 HE1 TYR A 133 5.196 -0.004 0.955 1.00 0.00 H new ATOM 0 HE2 TYR A 133 1.491 -0.825 2.897 1.00 0.00 H new ATOM 0 HH TYR A 133 2.984 -2.385 2.438 1.00 0.00 H new ATOM 2079 N ARG A 134 4.256 6.721 2.022 1.00 0.00 N ATOM 2080 CA ARG A 134 4.231 8.113 1.590 1.00 0.00 C ATOM 2081 C ARG A 134 4.010 8.211 0.084 1.00 0.00 C ATOM 2082 O ARG A 134 4.850 7.779 -0.706 1.00 0.00 O ATOM 2083 CB ARG A 134 5.537 8.811 1.972 1.00 0.00 C ATOM 2084 CG ARG A 134 5.534 10.305 1.691 1.00 0.00 C ATOM 2085 CD ARG A 134 6.946 10.870 1.669 1.00 0.00 C ATOM 2086 NE ARG A 134 6.972 12.292 2.003 1.00 0.00 N ATOM 2087 CZ ARG A 134 8.068 13.039 1.950 1.00 0.00 C ATOM 2088 NH1 ARG A 134 9.223 12.503 1.578 1.00 0.00 N ATOM 2089 NH2 ARG A 134 8.012 14.326 2.270 1.00 0.00 N ATOM 0 H ARG A 134 5.164 6.400 2.357 1.00 0.00 H new ATOM 0 HA ARG A 134 3.401 8.609 2.094 1.00 0.00 H new ATOM 0 HB2 ARG A 134 5.728 8.650 3.033 1.00 0.00 H new ATOM 0 HB3 ARG A 134 6.359 8.349 1.426 1.00 0.00 H new ATOM 0 HG2 ARG A 134 5.050 10.495 0.733 1.00 0.00 H new ATOM 0 HG3 ARG A 134 4.947 10.819 2.453 1.00 0.00 H new ATOM 0 HD2 ARG A 134 7.567 10.320 2.376 1.00 0.00 H new ATOM 0 HD3 ARG A 134 7.380 10.722 0.680 1.00 0.00 H new ATOM 0 HE ARG A 134 6.100 12.735 2.293 1.00 0.00 H new ATOM 0 HH11 ARG A 134 9.271 11.514 1.332 1.00 0.00 H new ATOM 0 HH12 ARG A 134 10.063 13.080 1.538 1.00 0.00 H new ATOM 0 HH21 ARG A 134 7.126 14.742 2.557 1.00 0.00 H new ATOM 0 HH22 ARG A 134 8.855 14.899 2.229 1.00 0.00 H new ATOM 2103 N ILE A 135 2.875 8.782 -0.307 1.00 0.00 N ATOM 2104 CA ILE A 135 2.545 8.938 -1.718 1.00 0.00 C ATOM 2105 C ILE A 135 2.810 10.363 -2.191 1.00 0.00 C ATOM 2106 O ILE A 135 2.133 11.302 -1.771 1.00 0.00 O ATOM 2107 CB ILE A 135 1.072 8.582 -1.994 1.00 0.00 C ATOM 2108 CG1 ILE A 135 0.806 7.115 -1.652 1.00 0.00 C ATOM 2109 CG2 ILE A 135 0.723 8.864 -3.448 1.00 0.00 C ATOM 2110 CD1 ILE A 135 -0.664 6.760 -1.615 1.00 0.00 C ATOM 0 H ILE A 135 2.169 9.144 0.334 1.00 0.00 H new ATOM 0 HA ILE A 135 3.186 8.250 -2.270 1.00 0.00 H new ATOM 0 HB ILE A 135 0.439 9.203 -1.361 1.00 0.00 H new ATOM 0 HG12 ILE A 135 1.306 6.483 -2.386 1.00 0.00 H new ATOM 0 HG13 ILE A 135 1.250 6.890 -0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.321 8.608 -3.628 1.00 0.00 H new ATOM 0 HG22 ILE A 135 0.879 9.922 -3.661 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.361 8.265 -4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -0.777 5.705 -1.366 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.166 7.366 -0.861 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.110 6.953 -2.591 1.00 0.00 H new ATOM 2122 N ILE A 136 3.796 10.516 -3.068 1.00 0.00 N ATOM 2123 CA ILE A 136 4.148 11.827 -3.600 1.00 0.00 C ATOM 2124 C ILE A 136 3.776 11.939 -5.075 1.00 0.00 C ATOM 2125 O ILE A 136 3.440 10.945 -5.718 1.00 0.00 O ATOM 2126 CB ILE A 136 5.652 12.115 -3.438 1.00 0.00 C ATOM 2127 CG1 ILE A 136 6.477 11.087 -4.216 1.00 0.00 C ATOM 2128 CG2 ILE A 136 6.037 12.108 -1.967 1.00 0.00 C ATOM 2129 CD1 ILE A 136 7.861 11.575 -4.582 1.00 0.00 C ATOM 0 H ILE A 136 4.365 9.749 -3.425 1.00 0.00 H new ATOM 0 HA ILE A 136 3.582 12.562 -3.028 1.00 0.00 H new ATOM 0 HB ILE A 136 5.863 13.104 -3.844 1.00 0.00 H new ATOM 0 HG12 ILE A 136 6.567 10.179 -3.620 1.00 0.00 H new ATOM 0 HG13 ILE A 136 5.942 10.819 -5.127 1.00 0.00 H new ATOM 0 HG21 ILE A 136 7.103 12.313 -1.869 1.00 0.00 H new ATOM 0 HG22 ILE A 136 5.470 12.875 -1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 136 5.814 11.131 -1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 136 8.388 10.795 -5.131 1.00 0.00 H new ATOM 0 HD12 ILE A 136 7.780 12.466 -5.205 1.00 0.00 H new ATOM 0 HD13 ILE A 136 8.414 11.816 -3.674 1.00 0.00 H new ATOM 2141 N ARG A 137 3.839 13.157 -5.604 1.00 0.00 N ATOM 2142 CA ARG A 137 3.509 13.399 -7.004 1.00 0.00 C ATOM 2143 C ARG A 137 4.659 12.977 -7.914 1.00 0.00 C ATOM 2144 O ARG A 137 5.798 12.840 -7.469 1.00 0.00 O ATOM 2145 CB ARG A 137 3.187 14.878 -7.225 1.00 0.00 C ATOM 2146 CG ARG A 137 2.180 15.122 -8.337 1.00 0.00 C ATOM 2147 CD ARG A 137 1.340 16.360 -8.066 1.00 0.00 C ATOM 2148 NE ARG A 137 2.163 17.552 -7.886 1.00 0.00 N ATOM 2149 CZ ARG A 137 1.729 18.665 -7.304 1.00 0.00 C ATOM 2150 NH1 ARG A 137 0.485 18.737 -6.849 1.00 0.00 N ATOM 2151 NH2 ARG A 137 2.538 19.708 -7.177 1.00 0.00 N ATOM 0 H ARG A 137 4.115 13.991 -5.085 1.00 0.00 H new ATOM 0 HA ARG A 137 2.632 12.801 -7.254 1.00 0.00 H new ATOM 0 HB2 ARG A 137 2.800 15.300 -6.297 1.00 0.00 H new ATOM 0 HB3 ARG A 137 4.109 15.411 -7.458 1.00 0.00 H new ATOM 0 HG2 ARG A 137 2.705 15.237 -9.285 1.00 0.00 H new ATOM 0 HG3 ARG A 137 1.529 14.254 -8.437 1.00 0.00 H new ATOM 0 HD2 ARG A 137 0.650 16.518 -8.895 1.00 0.00 H new ATOM 0 HD3 ARG A 137 0.735 16.199 -7.174 1.00 0.00 H new ATOM 0 HE ARG A 137 3.124 17.529 -8.226 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -0.140 17.937 -6.946 1.00 0.00 H new ATOM 0 HH12 ARG A 137 0.154 19.592 -6.403 1.00 0.00 H new ATOM 0 HH21 ARG A 137 3.495 19.657 -7.526 1.00 0.00 H new ATOM 0 HH22 ARG A 137 2.203 20.562 -6.730 1.00 0.00 H new ATOM 2165 N ALA A 138 4.351 12.771 -9.190 1.00 0.00 N ATOM 2166 CA ALA A 138 5.358 12.366 -10.163 1.00 0.00 C ATOM 2167 C ALA A 138 6.281 13.527 -10.514 1.00 0.00 C ATOM 2168 O ALA A 138 7.440 13.324 -10.873 1.00 0.00 O ATOM 2169 CB ALA A 138 4.690 11.821 -11.418 1.00 0.00 C ATOM 0 H ALA A 138 3.412 12.878 -9.574 1.00 0.00 H new ATOM 0 HA ALA A 138 5.964 11.578 -9.716 1.00 0.00 H new ATOM 0 HB1 ALA A 138 5.454 11.522 -12.136 1.00 0.00 H new ATOM 0 HB2 ALA A 138 4.078 10.957 -11.159 1.00 0.00 H new ATOM 0 HB3 ALA A 138 4.059 12.593 -11.859 1.00 0.00 H new ATOM 2175 N GLU A 139 5.759 14.745 -10.409 1.00 0.00 N ATOM 2176 CA GLU A 139 6.537 15.939 -10.717 1.00 0.00 C ATOM 2177 C GLU A 139 7.477 16.287 -9.567 1.00 0.00 C ATOM 2178 O GLU A 139 8.484 16.971 -9.758 1.00 0.00 O ATOM 2179 CB GLU A 139 5.608 17.120 -11.007 1.00 0.00 C ATOM 2180 CG GLU A 139 4.730 17.507 -9.828 1.00 0.00 C ATOM 2181 CD GLU A 139 3.873 18.725 -10.115 1.00 0.00 C ATOM 2182 OE1 GLU A 139 2.784 18.558 -10.702 1.00 0.00 O ATOM 2183 OE2 GLU A 139 4.292 19.844 -9.752 1.00 0.00 O ATOM 0 H GLU A 139 4.801 14.931 -10.113 1.00 0.00 H new ATOM 0 HA GLU A 139 7.137 15.732 -11.604 1.00 0.00 H new ATOM 0 HB2 GLU A 139 6.209 17.981 -11.300 1.00 0.00 H new ATOM 0 HB3 GLU A 139 4.972 16.871 -11.857 1.00 0.00 H new ATOM 0 HG2 GLU A 139 4.086 16.667 -9.568 1.00 0.00 H new ATOM 0 HG3 GLU A 139 5.359 17.706 -8.961 1.00 0.00 H new