USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 576 hydrogens (19 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 NoAdj-H: B 4 M3L H2 : B 4 M3L N : B 3 THR C :(H bumps) USER MOD NoAdj-H: B 4 M3L H : B 4 M3L N : B 3 THR C :(H bumps) USER MOD Set 1.1: A 284 SER OG : rot 180:sc= 0.436 USER MOD Set 1.2: A 287 GLN : amide:sc= 0.8 X(o=1.2,f=0.88) USER MOD Single : A 240 SER OG : rot 180:sc= 0 USER MOD Single : A 241 SER OG : rot -26:sc= 0.341 USER MOD Single : A 243 SER OG : rot 180:sc= 0.00302 USER MOD Single : A 244 SER OG : rot 180:sc= 0 USER MOD Single : A 248 SER OG : rot -43:sc= 0.125 USER MOD Single : A 252 GLN : amide:sc= -0.0258 X(o=-0.026,f=-0.026) USER MOD Single : A 253 CYS SG : rot 164:sc= 0.0718 USER MOD Single : A 258 GLN : amide:sc= 0.693 K(o=0.69,f=-1.4) USER MOD Single : A 260 SER OG : rot -170:sc= 0 USER MOD Single : A 263 ASN : amide:sc= 0.0455 K(o=0.046,f=-1.1) USER MOD Single : A 266 LYS NZ :NH3+ 145:sc= 1.4 (180deg=0.129) USER MOD Single : A 271 CYS SG : rot 180:sc= -0.0668 USER MOD Single : A 273 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.73) USER MOD Single : A 277 SER OG : rot 180:sc= 0 USER MOD Single : A 282 ASN : amide:sc= -0.026 X(o=-0.026,f=-0.08) USER MOD Single : A 288 ASN : amide:sc= -0.221 X(o=-0.22,f=-0.35) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 292 GLN : amide:sc= 0.318 K(o=0.32,f=-0.22) USER MOD Single : A 293 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 ASN : amide:sc= -0.357 K(o=-0.36,f=-1.2) USER MOD Single : A 302 THR OG1 : rot 180:sc= 0 USER MOD Single : A 304 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ 147:sc= 1.1 (180deg=0.423) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 GLN : amide:sc= -0.0755 K(o=-0.075,f=-0.89) USER MOD Single : B 6 THR OG1 : rot -5:sc= -0.86 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 SER OG : rot 180:sc= 0.00566 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 239 1.061 -21.074 -6.073 1.00 0.00 N ATOM 2 CA GLY A 239 2.339 -21.173 -6.812 1.00 0.00 C ATOM 3 C GLY A 239 2.667 -19.874 -7.533 1.00 0.00 C ATOM 4 O GLY A 239 2.467 -18.792 -6.982 1.00 0.00 O ATOM 0 HA2 GLY A 239 3.143 -21.419 -6.119 1.00 0.00 H new ATOM 0 HA3 GLY A 239 2.281 -21.987 -7.535 1.00 0.00 H new ATOM 10 N SER A 240 3.184 -19.954 -8.762 1.00 0.00 N ATOM 11 CA SER A 240 3.630 -18.774 -9.529 1.00 0.00 C ATOM 12 C SER A 240 2.466 -17.968 -10.143 1.00 0.00 C ATOM 13 O SER A 240 2.519 -16.739 -10.157 1.00 0.00 O ATOM 14 CB SER A 240 4.600 -19.236 -10.633 1.00 0.00 C ATOM 15 OG SER A 240 5.151 -18.153 -11.372 1.00 0.00 O ATOM 0 H SER A 240 3.308 -20.836 -9.259 1.00 0.00 H new ATOM 0 HA SER A 240 4.129 -18.099 -8.833 1.00 0.00 H new ATOM 0 HB2 SER A 240 5.409 -19.811 -10.182 1.00 0.00 H new ATOM 0 HB3 SER A 240 4.075 -19.905 -11.315 1.00 0.00 H new ATOM 0 HG SER A 240 5.759 -18.501 -12.057 1.00 0.00 H new ATOM 21 N SER A 241 1.432 -18.660 -10.649 1.00 0.00 N ATOM 22 CA SER A 241 0.192 -18.165 -11.302 1.00 0.00 C ATOM 23 C SER A 241 0.352 -17.263 -12.551 1.00 0.00 C ATOM 24 O SER A 241 -0.597 -17.124 -13.331 1.00 0.00 O ATOM 25 CB SER A 241 -0.807 -17.575 -10.283 1.00 0.00 C ATOM 26 OG SER A 241 -0.436 -16.308 -9.755 1.00 0.00 O ATOM 0 H SER A 241 1.436 -19.679 -10.611 1.00 0.00 H new ATOM 0 HA SER A 241 -0.228 -19.077 -11.725 1.00 0.00 H new ATOM 0 HB2 SER A 241 -1.782 -17.483 -10.762 1.00 0.00 H new ATOM 0 HB3 SER A 241 -0.922 -18.278 -9.458 1.00 0.00 H new ATOM 0 HG SER A 241 0.538 -16.208 -9.798 1.00 0.00 H new ATOM 32 N GLY A 242 1.548 -16.721 -12.817 1.00 0.00 N ATOM 33 CA GLY A 242 1.881 -15.848 -13.952 1.00 0.00 C ATOM 34 C GLY A 242 2.134 -16.607 -15.257 1.00 0.00 C ATOM 35 O GLY A 242 3.116 -16.344 -15.949 1.00 0.00 O ATOM 0 H GLY A 242 2.353 -16.889 -12.214 1.00 0.00 H new ATOM 0 HA2 GLY A 242 1.067 -15.140 -14.106 1.00 0.00 H new ATOM 0 HA3 GLY A 242 2.768 -15.265 -13.703 1.00 0.00 H new ATOM 39 N SER A 243 1.257 -17.549 -15.601 1.00 0.00 N ATOM 40 CA SER A 243 1.324 -18.379 -16.818 1.00 0.00 C ATOM 41 C SER A 243 0.762 -17.684 -18.081 1.00 0.00 C ATOM 42 O SER A 243 0.751 -18.258 -19.173 1.00 0.00 O ATOM 43 CB SER A 243 0.613 -19.717 -16.553 1.00 0.00 C ATOM 44 OG SER A 243 -0.726 -19.527 -16.103 1.00 0.00 O ATOM 0 H SER A 243 0.447 -17.769 -15.022 1.00 0.00 H new ATOM 0 HA SER A 243 2.378 -18.551 -17.037 1.00 0.00 H new ATOM 0 HB2 SER A 243 0.608 -20.313 -17.466 1.00 0.00 H new ATOM 0 HB3 SER A 243 1.170 -20.283 -15.806 1.00 0.00 H new ATOM 0 HG SER A 243 -1.145 -20.399 -15.947 1.00 0.00 H new ATOM 50 N SER A 244 0.327 -16.429 -17.955 1.00 0.00 N ATOM 51 CA SER A 244 -0.232 -15.571 -19.010 1.00 0.00 C ATOM 52 C SER A 244 -0.089 -14.084 -18.624 1.00 0.00 C ATOM 53 O SER A 244 0.426 -13.760 -17.545 1.00 0.00 O ATOM 54 CB SER A 244 -1.702 -15.952 -19.282 1.00 0.00 C ATOM 55 OG SER A 244 -2.538 -15.725 -18.151 1.00 0.00 O ATOM 0 H SER A 244 0.356 -15.950 -17.055 1.00 0.00 H new ATOM 0 HA SER A 244 0.327 -15.726 -19.932 1.00 0.00 H new ATOM 0 HB2 SER A 244 -2.074 -15.374 -20.128 1.00 0.00 H new ATOM 0 HB3 SER A 244 -1.756 -17.003 -19.566 1.00 0.00 H new ATOM 0 HG SER A 244 -3.459 -15.978 -18.369 1.00 0.00 H new ATOM 61 N GLY A 245 -0.528 -13.159 -19.491 1.00 0.00 N ATOM 62 CA GLY A 245 -0.448 -11.714 -19.241 1.00 0.00 C ATOM 63 C GLY A 245 -1.326 -11.286 -18.060 1.00 0.00 C ATOM 64 O GLY A 245 -2.523 -11.579 -18.030 1.00 0.00 O ATOM 0 H GLY A 245 -0.950 -13.395 -20.389 1.00 0.00 H new ATOM 0 HA2 GLY A 245 0.587 -11.437 -19.042 1.00 0.00 H new ATOM 0 HA3 GLY A 245 -0.756 -11.174 -20.136 1.00 0.00 H new ATOM 68 N GLU A 246 -0.731 -10.557 -17.113 1.00 0.00 N ATOM 69 CA GLU A 246 -1.359 -10.094 -15.867 1.00 0.00 C ATOM 70 C GLU A 246 -0.924 -8.650 -15.548 1.00 0.00 C ATOM 71 O GLU A 246 -0.330 -8.345 -14.514 1.00 0.00 O ATOM 72 CB GLU A 246 -1.128 -11.098 -14.719 1.00 0.00 C ATOM 73 CG GLU A 246 0.338 -11.488 -14.463 1.00 0.00 C ATOM 74 CD GLU A 246 0.526 -12.179 -13.102 1.00 0.00 C ATOM 75 OE1 GLU A 246 -0.343 -12.982 -12.686 1.00 0.00 O ATOM 76 OE2 GLU A 246 1.562 -11.930 -12.439 1.00 0.00 O ATOM 0 H GLU A 246 0.241 -10.259 -17.194 1.00 0.00 H new ATOM 0 HA GLU A 246 -2.441 -10.057 -15.997 1.00 0.00 H new ATOM 0 HB2 GLU A 246 -1.538 -10.675 -13.802 1.00 0.00 H new ATOM 0 HB3 GLU A 246 -1.694 -12.004 -14.933 1.00 0.00 H new ATOM 0 HG2 GLU A 246 0.679 -12.153 -15.256 1.00 0.00 H new ATOM 0 HG3 GLU A 246 0.962 -10.595 -14.505 1.00 0.00 H new ATOM 83 N ILE A 247 -1.194 -7.755 -16.502 1.00 0.00 N ATOM 84 CA ILE A 247 -0.810 -6.335 -16.500 1.00 0.00 C ATOM 85 C ILE A 247 -2.025 -5.498 -16.924 1.00 0.00 C ATOM 86 O ILE A 247 -2.612 -5.737 -17.981 1.00 0.00 O ATOM 87 CB ILE A 247 0.411 -6.115 -17.434 1.00 0.00 C ATOM 88 CG1 ILE A 247 1.589 -7.028 -17.010 1.00 0.00 C ATOM 89 CG2 ILE A 247 0.815 -4.628 -17.442 1.00 0.00 C ATOM 90 CD1 ILE A 247 2.912 -6.800 -17.752 1.00 0.00 C ATOM 0 H ILE A 247 -1.713 -8.012 -17.342 1.00 0.00 H new ATOM 0 HA ILE A 247 -0.508 -6.019 -15.502 1.00 0.00 H new ATOM 0 HB ILE A 247 0.135 -6.389 -18.452 1.00 0.00 H new ATOM 0 HG12 ILE A 247 1.764 -6.891 -15.943 1.00 0.00 H new ATOM 0 HG13 ILE A 247 1.289 -8.066 -17.152 1.00 0.00 H new ATOM 0 HG21 ILE A 247 1.672 -4.487 -18.101 1.00 0.00 H new ATOM 0 HG22 ILE A 247 -0.020 -4.026 -17.800 1.00 0.00 H new ATOM 0 HG23 ILE A 247 1.079 -4.317 -16.431 1.00 0.00 H new ATOM 0 HD11 ILE A 247 3.665 -7.492 -17.375 1.00 0.00 H new ATOM 0 HD12 ILE A 247 2.765 -6.969 -18.819 1.00 0.00 H new ATOM 0 HD13 ILE A 247 3.248 -5.776 -17.590 1.00 0.00 H new ATOM 102 N SER A 248 -2.411 -4.514 -16.110 1.00 0.00 N ATOM 103 CA SER A 248 -3.608 -3.675 -16.334 1.00 0.00 C ATOM 104 C SER A 248 -3.290 -2.327 -17.028 1.00 0.00 C ATOM 105 O SER A 248 -4.137 -1.430 -17.090 1.00 0.00 O ATOM 106 CB SER A 248 -4.336 -3.478 -14.992 1.00 0.00 C ATOM 107 OG SER A 248 -5.682 -3.052 -15.168 1.00 0.00 O ATOM 0 H SER A 248 -1.899 -4.267 -15.263 1.00 0.00 H new ATOM 0 HA SER A 248 -4.264 -4.197 -17.031 1.00 0.00 H new ATOM 0 HB2 SER A 248 -4.323 -4.414 -14.433 1.00 0.00 H new ATOM 0 HB3 SER A 248 -3.799 -2.742 -14.394 1.00 0.00 H new ATOM 0 HG SER A 248 -5.718 -2.357 -15.858 1.00 0.00 H new ATOM 113 N GLY A 249 -2.061 -2.164 -17.539 1.00 0.00 N ATOM 114 CA GLY A 249 -1.549 -0.930 -18.145 1.00 0.00 C ATOM 115 C GLY A 249 -0.864 -0.059 -17.094 1.00 0.00 C ATOM 116 O GLY A 249 0.282 -0.319 -16.721 1.00 0.00 O ATOM 0 H GLY A 249 -1.372 -2.917 -17.541 1.00 0.00 H new ATOM 0 HA2 GLY A 249 -0.843 -1.174 -18.939 1.00 0.00 H new ATOM 0 HA3 GLY A 249 -2.368 -0.377 -18.605 1.00 0.00 H new ATOM 120 N PHE A 250 -1.567 0.973 -16.622 1.00 0.00 N ATOM 121 CA PHE A 250 -1.130 1.852 -15.533 1.00 0.00 C ATOM 122 C PHE A 250 -1.099 1.118 -14.171 1.00 0.00 C ATOM 123 O PHE A 250 -1.688 0.045 -14.013 1.00 0.00 O ATOM 124 CB PHE A 250 -2.059 3.081 -15.518 1.00 0.00 C ATOM 125 CG PHE A 250 -1.633 4.201 -14.586 1.00 0.00 C ATOM 126 CD1 PHE A 250 -0.528 5.009 -14.917 1.00 0.00 C ATOM 127 CD2 PHE A 250 -2.340 4.443 -13.392 1.00 0.00 C ATOM 128 CE1 PHE A 250 -0.135 6.053 -14.061 1.00 0.00 C ATOM 129 CE2 PHE A 250 -1.948 5.488 -12.537 1.00 0.00 C ATOM 130 CZ PHE A 250 -0.846 6.296 -12.872 1.00 0.00 C ATOM 0 H PHE A 250 -2.481 1.228 -16.996 1.00 0.00 H new ATOM 0 HA PHE A 250 -0.103 2.174 -15.704 1.00 0.00 H new ATOM 0 HB2 PHE A 250 -2.126 3.478 -16.531 1.00 0.00 H new ATOM 0 HB3 PHE A 250 -3.061 2.756 -15.236 1.00 0.00 H new ATOM 0 HD1 PHE A 250 0.019 4.826 -15.830 1.00 0.00 H new ATOM 0 HD2 PHE A 250 -3.186 3.824 -13.132 1.00 0.00 H new ATOM 0 HE1 PHE A 250 0.714 6.669 -14.317 1.00 0.00 H new ATOM 0 HE2 PHE A 250 -2.493 5.671 -11.623 1.00 0.00 H new ATOM 0 HZ PHE A 250 -0.547 7.101 -12.217 1.00 0.00 H new ATOM 140 N GLY A 251 -0.406 1.699 -13.181 1.00 0.00 N ATOM 141 CA GLY A 251 -0.392 1.212 -11.790 1.00 0.00 C ATOM 142 C GLY A 251 0.677 0.158 -11.479 1.00 0.00 C ATOM 143 O GLY A 251 0.541 -0.567 -10.495 1.00 0.00 O ATOM 0 H GLY A 251 0.168 2.530 -13.323 1.00 0.00 H new ATOM 0 HA2 GLY A 251 -0.245 2.063 -11.125 1.00 0.00 H new ATOM 0 HA3 GLY A 251 -1.371 0.793 -11.559 1.00 0.00 H new ATOM 147 N GLN A 252 1.744 0.073 -12.284 1.00 0.00 N ATOM 148 CA GLN A 252 2.885 -0.834 -12.052 1.00 0.00 C ATOM 149 C GLN A 252 3.811 -0.361 -10.908 1.00 0.00 C ATOM 150 O GLN A 252 4.670 -1.116 -10.441 1.00 0.00 O ATOM 151 CB GLN A 252 3.688 -0.998 -13.356 1.00 0.00 C ATOM 152 CG GLN A 252 2.898 -1.629 -14.517 1.00 0.00 C ATOM 153 CD GLN A 252 2.476 -3.072 -14.238 1.00 0.00 C ATOM 154 OE1 GLN A 252 1.341 -3.361 -13.879 1.00 0.00 O ATOM 155 NE2 GLN A 252 3.365 -4.035 -14.380 1.00 0.00 N ATOM 0 H GLN A 252 1.844 0.638 -13.127 1.00 0.00 H new ATOM 0 HA GLN A 252 2.475 -1.795 -11.741 1.00 0.00 H new ATOM 0 HB2 GLN A 252 4.051 -0.019 -13.670 1.00 0.00 H new ATOM 0 HB3 GLN A 252 4.565 -1.613 -13.153 1.00 0.00 H new ATOM 0 HG2 GLN A 252 2.010 -1.028 -14.714 1.00 0.00 H new ATOM 0 HG3 GLN A 252 3.507 -1.603 -15.420 1.00 0.00 H new ATOM 0 HE21 GLN A 252 4.315 -3.812 -14.678 1.00 0.00 H new ATOM 0 HE22 GLN A 252 3.103 -5.003 -14.192 1.00 0.00 H new ATOM 164 N CYS A 253 3.631 0.877 -10.437 1.00 0.00 N ATOM 165 CA CYS A 253 4.247 1.428 -9.229 1.00 0.00 C ATOM 166 C CYS A 253 3.661 0.807 -7.939 1.00 0.00 C ATOM 167 O CYS A 253 2.723 0.005 -7.971 1.00 0.00 O ATOM 168 CB CYS A 253 4.107 2.961 -9.293 1.00 0.00 C ATOM 169 SG CYS A 253 2.361 3.434 -9.426 1.00 0.00 S ATOM 0 H CYS A 253 3.026 1.550 -10.908 1.00 0.00 H new ATOM 0 HA CYS A 253 5.305 1.170 -9.190 1.00 0.00 H new ATOM 0 HB2 CYS A 253 4.545 3.410 -8.401 1.00 0.00 H new ATOM 0 HB3 CYS A 253 4.661 3.347 -10.149 1.00 0.00 H new ATOM 0 HG CYS A 253 2.230 4.694 -9.136 1.00 0.00 H new ATOM 175 N LEU A 254 4.222 1.164 -6.779 1.00 0.00 N ATOM 176 CA LEU A 254 3.771 0.649 -5.484 1.00 0.00 C ATOM 177 C LEU A 254 2.488 1.381 -5.063 1.00 0.00 C ATOM 178 O LEU A 254 2.522 2.566 -4.724 1.00 0.00 O ATOM 179 CB LEU A 254 4.900 0.793 -4.450 1.00 0.00 C ATOM 180 CG LEU A 254 4.859 -0.217 -3.286 1.00 0.00 C ATOM 181 CD1 LEU A 254 5.867 0.191 -2.209 1.00 0.00 C ATOM 182 CD2 LEU A 254 3.505 -0.416 -2.619 1.00 0.00 C ATOM 0 H LEU A 254 5.002 1.818 -6.713 1.00 0.00 H new ATOM 0 HA LEU A 254 3.533 -0.412 -5.556 1.00 0.00 H new ATOM 0 HB2 LEU A 254 5.856 0.692 -4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 254 4.865 1.801 -4.036 1.00 0.00 H new ATOM 0 HG LEU A 254 5.105 -1.171 -3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 254 5.834 -0.526 -1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 254 6.870 0.207 -2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 254 5.617 1.183 -1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 254 3.599 -1.147 -1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 254 3.159 0.532 -2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 254 2.786 -0.776 -3.355 1.00 0.00 H new ATOM 194 N VAL A 255 1.364 0.668 -5.080 1.00 0.00 N ATOM 195 CA VAL A 255 0.056 1.173 -4.640 1.00 0.00 C ATOM 196 C VAL A 255 -0.102 0.921 -3.138 1.00 0.00 C ATOM 197 O VAL A 255 0.107 -0.195 -2.659 1.00 0.00 O ATOM 198 CB VAL A 255 -1.107 0.529 -5.431 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.462 1.156 -5.048 1.00 0.00 C ATOM 200 CG2 VAL A 255 -0.895 0.684 -6.947 1.00 0.00 C ATOM 0 H VAL A 255 1.332 -0.298 -5.406 1.00 0.00 H new ATOM 0 HA VAL A 255 0.015 2.244 -4.837 1.00 0.00 H new ATOM 0 HB VAL A 255 -1.119 -0.530 -5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -3.258 0.681 -5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.644 1.007 -3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.444 2.224 -5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -1.727 0.223 -7.480 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -0.844 1.743 -7.201 1.00 0.00 H new ATOM 0 HG23 VAL A 255 0.036 0.196 -7.236 1.00 0.00 H new ATOM 210 N TRP A 256 -0.495 1.966 -2.410 1.00 0.00 N ATOM 211 CA TRP A 256 -0.793 1.931 -0.979 1.00 0.00 C ATOM 212 C TRP A 256 -2.276 2.258 -0.738 1.00 0.00 C ATOM 213 O TRP A 256 -2.840 3.144 -1.384 1.00 0.00 O ATOM 214 CB TRP A 256 0.093 2.949 -0.247 1.00 0.00 C ATOM 215 CG TRP A 256 1.565 2.686 -0.182 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.454 2.929 -1.171 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.347 2.135 0.927 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.731 2.650 -0.733 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.724 2.129 0.542 1.00 0.00 C ATOM 220 CE3 TRP A 256 2.035 1.608 2.202 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.739 1.632 1.372 1.00 0.00 C ATOM 222 CZ3 TRP A 256 3.041 1.048 3.013 1.00 0.00 C ATOM 223 CH2 TRP A 256 4.388 1.070 2.610 1.00 0.00 C ATOM 0 H TRP A 256 -0.619 2.894 -2.816 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.589 0.931 -0.595 1.00 0.00 H new ATOM 0 HB2 TRP A 256 -0.051 3.919 -0.722 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.275 3.037 0.775 1.00 0.00 H new ATOM 0 HD1 TRP A 256 2.201 3.288 -2.158 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.575 2.809 -1.284 1.00 0.00 H new ATOM 0 HE3 TRP A 256 1.015 1.635 2.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.773 1.681 1.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.774 0.596 3.957 1.00 0.00 H new ATOM 0 HH2 TRP A 256 5.151 0.655 3.252 1.00 0.00 H new ATOM 234 N VAL A 257 -2.887 1.567 0.225 1.00 0.00 N ATOM 235 CA VAL A 257 -4.321 1.678 0.575 1.00 0.00 C ATOM 236 C VAL A 257 -4.500 2.011 2.048 1.00 0.00 C ATOM 237 O VAL A 257 -3.906 1.350 2.898 1.00 0.00 O ATOM 238 CB VAL A 257 -5.101 0.376 0.288 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.601 0.352 -1.152 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.291 -0.903 0.566 1.00 0.00 C ATOM 0 H VAL A 257 -2.391 0.891 0.806 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.717 2.478 -0.050 1.00 0.00 H new ATOM 0 HB VAL A 257 -5.943 0.381 0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -6.147 -0.574 -1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.262 1.202 -1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -4.752 0.410 -1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -4.903 -1.777 0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.400 -0.913 -0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -3.996 -0.926 1.615 1.00 0.00 H new ATOM 250 N GLN A 258 -5.329 3.016 2.344 1.00 0.00 N ATOM 251 CA GLN A 258 -5.678 3.390 3.712 1.00 0.00 C ATOM 252 C GLN A 258 -6.936 2.647 4.180 1.00 0.00 C ATOM 253 O GLN A 258 -7.954 2.625 3.482 1.00 0.00 O ATOM 254 CB GLN A 258 -5.866 4.908 3.835 1.00 0.00 C ATOM 255 CG GLN A 258 -5.911 5.338 5.313 1.00 0.00 C ATOM 256 CD GLN A 258 -5.913 6.854 5.516 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.636 7.600 4.871 1.00 0.00 O ATOM 258 NE2 GLN A 258 -5.123 7.372 6.434 1.00 0.00 N ATOM 0 H GLN A 258 -5.778 3.595 1.635 1.00 0.00 H new ATOM 0 HA GLN A 258 -4.852 3.098 4.360 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -5.050 5.422 3.327 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.789 5.206 3.337 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.803 4.918 5.777 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.052 4.913 5.832 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.513 6.766 6.982 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -5.122 8.379 6.596 1.00 0.00 H new ATOM 267 N CYS A 259 -6.866 2.089 5.391 1.00 0.00 N ATOM 268 CA CYS A 259 -7.983 1.468 6.094 1.00 0.00 C ATOM 269 C CYS A 259 -9.204 2.411 6.207 1.00 0.00 C ATOM 270 O CYS A 259 -9.072 3.595 6.533 1.00 0.00 O ATOM 271 CB CYS A 259 -7.469 1.056 7.477 1.00 0.00 C ATOM 272 SG CYS A 259 -8.659 -0.063 8.262 1.00 0.00 S ATOM 0 H CYS A 259 -5.997 2.058 5.925 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.336 0.601 5.535 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.500 0.565 7.384 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.321 1.939 8.099 1.00 0.00 H new ATOM 277 N SER A 260 -10.398 1.882 5.944 1.00 0.00 N ATOM 278 CA SER A 260 -11.659 2.644 6.012 1.00 0.00 C ATOM 279 C SER A 260 -12.019 3.094 7.445 1.00 0.00 C ATOM 280 O SER A 260 -12.668 4.130 7.628 1.00 0.00 O ATOM 281 CB SER A 260 -12.804 1.867 5.348 1.00 0.00 C ATOM 282 OG SER A 260 -14.023 2.596 5.355 1.00 0.00 O ATOM 0 H SER A 260 -10.526 0.906 5.675 1.00 0.00 H new ATOM 0 HA SER A 260 -11.503 3.563 5.448 1.00 0.00 H new ATOM 0 HB2 SER A 260 -12.531 1.629 4.320 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.947 0.919 5.867 1.00 0.00 H new ATOM 0 HG SER A 260 -14.756 2.011 5.070 1.00 0.00 H new ATOM 288 N PHE A 261 -11.555 2.377 8.481 1.00 0.00 N ATOM 289 CA PHE A 261 -11.790 2.758 9.871 1.00 0.00 C ATOM 290 C PHE A 261 -10.938 3.970 10.297 1.00 0.00 C ATOM 291 O PHE A 261 -9.724 3.985 10.060 1.00 0.00 O ATOM 292 CB PHE A 261 -11.542 1.569 10.801 1.00 0.00 C ATOM 293 CG PHE A 261 -12.528 0.433 10.644 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.842 0.573 11.129 1.00 0.00 C ATOM 295 CD2 PHE A 261 -12.129 -0.771 10.036 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.755 -0.490 10.998 1.00 0.00 C ATOM 297 CE2 PHE A 261 -13.036 -1.836 9.917 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.353 -1.694 10.392 1.00 0.00 C ATOM 0 H PHE A 261 -11.010 1.522 8.373 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.835 3.059 9.952 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.537 1.188 10.622 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.572 1.919 11.833 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -14.149 1.495 11.601 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -11.122 -0.876 9.660 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.766 -0.381 11.363 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.723 -2.764 9.461 1.00 0.00 H new ATOM 0 HZ PHE A 261 -15.055 -2.509 10.291 1.00 0.00 H new ATOM 308 N PRO A 262 -11.549 4.960 10.978 1.00 0.00 N ATOM 309 CA PRO A 262 -10.891 6.194 11.395 1.00 0.00 C ATOM 310 C PRO A 262 -9.905 5.976 12.551 1.00 0.00 C ATOM 311 O PRO A 262 -8.866 6.631 12.607 1.00 0.00 O ATOM 312 CB PRO A 262 -12.042 7.111 11.816 1.00 0.00 C ATOM 313 CG PRO A 262 -13.126 6.156 12.312 1.00 0.00 C ATOM 314 CD PRO A 262 -12.945 4.956 11.393 1.00 0.00 C ATOM 0 HA PRO A 262 -10.285 6.614 10.592 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.733 7.803 12.600 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.396 7.714 10.980 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -12.986 5.891 13.360 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -14.122 6.590 12.223 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.193 4.030 11.911 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.607 5.025 10.530 1.00 0.00 H new ATOM 322 N ASN A 263 -10.198 5.020 13.440 1.00 0.00 N ATOM 323 CA ASN A 263 -9.313 4.587 14.529 1.00 0.00 C ATOM 324 C ASN A 263 -8.125 3.718 14.054 1.00 0.00 C ATOM 325 O ASN A 263 -7.235 3.401 14.848 1.00 0.00 O ATOM 326 CB ASN A 263 -10.152 3.862 15.593 1.00 0.00 C ATOM 327 CG ASN A 263 -10.791 2.582 15.058 1.00 0.00 C ATOM 328 OD1 ASN A 263 -11.803 2.620 14.369 1.00 0.00 O ATOM 329 ND2 ASN A 263 -10.214 1.426 15.335 1.00 0.00 N ATOM 0 H ASN A 263 -11.082 4.512 13.422 1.00 0.00 H new ATOM 0 HA ASN A 263 -8.854 5.478 14.959 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.520 3.620 16.447 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -10.933 4.531 15.954 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -10.611 0.558 14.974 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -9.371 1.401 15.909 1.00 0.00 H new ATOM 336 N CYS A 264 -8.102 3.352 12.766 1.00 0.00 N ATOM 337 CA CYS A 264 -6.993 2.690 12.085 1.00 0.00 C ATOM 338 C CYS A 264 -6.198 3.746 11.304 1.00 0.00 C ATOM 339 O CYS A 264 -5.142 4.196 11.756 1.00 0.00 O ATOM 340 CB CYS A 264 -7.560 1.582 11.182 1.00 0.00 C ATOM 341 SG CYS A 264 -6.590 0.056 11.259 1.00 0.00 S ATOM 0 H CYS A 264 -8.895 3.519 12.146 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.309 2.219 12.791 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.588 1.370 11.476 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.590 1.938 10.152 1.00 0.00 H new ATOM 346 N GLY A 265 -6.715 4.138 10.130 1.00 0.00 N ATOM 347 CA GLY A 265 -6.070 5.059 9.201 1.00 0.00 C ATOM 348 C GLY A 265 -4.743 4.532 8.646 1.00 0.00 C ATOM 349 O GLY A 265 -3.954 5.311 8.112 1.00 0.00 O ATOM 0 H GLY A 265 -7.621 3.809 9.797 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.748 5.261 8.372 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -5.893 6.008 9.706 1.00 0.00 H new ATOM 353 N LYS A 266 -4.488 3.228 8.783 1.00 0.00 N ATOM 354 CA LYS A 266 -3.222 2.586 8.432 1.00 0.00 C ATOM 355 C LYS A 266 -3.069 2.399 6.924 1.00 0.00 C ATOM 356 O LYS A 266 -4.040 2.059 6.247 1.00 0.00 O ATOM 357 CB LYS A 266 -3.129 1.222 9.122 1.00 0.00 C ATOM 358 CG LYS A 266 -3.039 1.346 10.637 1.00 0.00 C ATOM 359 CD LYS A 266 -2.917 -0.067 11.198 1.00 0.00 C ATOM 360 CE LYS A 266 -2.907 -0.059 12.719 1.00 0.00 C ATOM 361 NZ LYS A 266 -4.219 0.360 13.282 1.00 0.00 N ATOM 0 H LYS A 266 -5.177 2.573 9.152 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.419 3.240 8.770 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -4.002 0.624 8.860 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.254 0.688 8.751 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.178 1.949 10.923 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.923 1.843 11.036 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.748 -0.675 10.841 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -2.002 -0.529 10.829 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.656 -1.055 13.085 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -2.128 0.616 13.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -4.403 -0.165 14.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -4.200 1.380 13.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -4.972 0.159 12.594 1.00 0.00 H new ATOM 375 N TRP A 267 -1.849 2.542 6.409 1.00 0.00 N ATOM 376 CA TRP A 267 -1.523 2.309 5.009 1.00 0.00 C ATOM 377 C TRP A 267 -0.823 0.955 4.849 1.00 0.00 C ATOM 378 O TRP A 267 0.216 0.707 5.465 1.00 0.00 O ATOM 379 CB TRP A 267 -0.684 3.478 4.479 1.00 0.00 C ATOM 380 CG TRP A 267 -1.391 4.798 4.431 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.467 5.691 5.442 1.00 0.00 C ATOM 382 CD2 TRP A 267 -2.121 5.402 3.320 1.00 0.00 C ATOM 383 NE1 TRP A 267 -2.155 6.815 5.023 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.569 6.698 3.714 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.446 4.982 2.013 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.271 7.548 2.843 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -3.156 5.820 1.137 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.552 7.107 1.539 1.00 0.00 C ATOM 0 H TRP A 267 -1.045 2.829 6.967 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.434 2.264 4.412 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.203 3.581 5.104 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.339 3.231 3.475 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -1.053 5.548 6.429 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -2.334 7.630 5.610 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -2.144 4.000 1.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.590 8.526 3.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.400 5.471 0.144 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -4.071 7.755 0.848 1.00 0.00 H new ATOM 399 N ARG A 268 -1.402 0.081 4.016 1.00 0.00 N ATOM 400 CA ARG A 268 -0.852 -1.234 3.667 1.00 0.00 C ATOM 401 C ARG A 268 -0.413 -1.237 2.193 1.00 0.00 C ATOM 402 O ARG A 268 -1.034 -0.564 1.359 1.00 0.00 O ATOM 403 CB ARG A 268 -1.884 -2.351 3.932 1.00 0.00 C ATOM 404 CG ARG A 268 -2.640 -2.307 5.277 1.00 0.00 C ATOM 405 CD ARG A 268 -1.779 -2.361 6.540 1.00 0.00 C ATOM 406 NE ARG A 268 -2.637 -2.565 7.723 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.244 -2.750 8.973 1.00 0.00 C ATOM 408 NH1 ARG A 268 -0.996 -2.601 9.354 1.00 0.00 N ATOM 409 NH2 ARG A 268 -3.128 -3.076 9.877 1.00 0.00 N ATOM 0 H ARG A 268 -2.290 0.275 3.554 1.00 0.00 H new ATOM 0 HA ARG A 268 0.016 -1.429 4.296 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -2.621 -2.328 3.129 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.369 -3.310 3.865 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.233 -1.393 5.306 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.340 -3.142 5.304 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -1.053 -3.171 6.462 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.213 -1.435 6.645 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.644 -2.563 7.559 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.284 -2.332 8.675 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.739 -2.754 10.329 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -4.108 -3.185 9.616 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.839 -3.222 10.844 1.00 0.00 H new ATOM 423 N ARG A 269 0.651 -1.988 1.888 1.00 0.00 N ATOM 424 CA ARG A 269 1.173 -2.205 0.528 1.00 0.00 C ATOM 425 C ARG A 269 0.338 -3.228 -0.248 1.00 0.00 C ATOM 426 O ARG A 269 -0.248 -4.132 0.347 1.00 0.00 O ATOM 427 CB ARG A 269 2.624 -2.709 0.584 1.00 0.00 C ATOM 428 CG ARG A 269 3.592 -1.659 1.112 1.00 0.00 C ATOM 429 CD ARG A 269 5.058 -2.085 0.948 1.00 0.00 C ATOM 430 NE ARG A 269 5.416 -3.179 1.864 1.00 0.00 N ATOM 431 CZ ARG A 269 6.047 -4.311 1.582 1.00 0.00 C ATOM 432 NH1 ARG A 269 6.359 -4.671 0.352 1.00 0.00 N ATOM 433 NH2 ARG A 269 6.384 -5.109 2.567 1.00 0.00 N ATOM 0 H ARG A 269 1.192 -2.478 2.601 1.00 0.00 H new ATOM 0 HA ARG A 269 1.123 -1.245 0.015 1.00 0.00 H new ATOM 0 HB2 ARG A 269 2.673 -3.594 1.219 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.936 -3.016 -0.414 1.00 0.00 H new ATOM 0 HG2 ARG A 269 3.428 -0.719 0.585 1.00 0.00 H new ATOM 0 HG3 ARG A 269 3.385 -1.474 2.166 1.00 0.00 H new ATOM 0 HD2 ARG A 269 5.232 -2.401 -0.081 1.00 0.00 H new ATOM 0 HD3 ARG A 269 5.708 -1.229 1.132 1.00 0.00 H new ATOM 0 HE ARG A 269 5.145 -3.051 2.839 1.00 0.00 H new ATOM 0 HH11 ARG A 269 6.114 -4.068 -0.433 1.00 0.00 H new ATOM 0 HH12 ARG A 269 6.845 -5.552 0.186 1.00 0.00 H new ATOM 0 HH21 ARG A 269 6.160 -4.854 3.529 1.00 0.00 H new ATOM 0 HH22 ARG A 269 6.870 -5.984 2.371 1.00 0.00 H new ATOM 447 N LEU A 270 0.351 -3.114 -1.578 1.00 0.00 N ATOM 448 CA LEU A 270 -0.338 -4.015 -2.519 1.00 0.00 C ATOM 449 C LEU A 270 0.591 -4.568 -3.611 1.00 0.00 C ATOM 450 O LEU A 270 1.677 -4.039 -3.863 1.00 0.00 O ATOM 451 CB LEU A 270 -1.514 -3.267 -3.177 1.00 0.00 C ATOM 452 CG LEU A 270 -2.641 -2.822 -2.233 1.00 0.00 C ATOM 453 CD1 LEU A 270 -3.714 -2.138 -3.086 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.284 -3.984 -1.460 1.00 0.00 C ATOM 0 H LEU A 270 0.858 -2.366 -2.051 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.696 -4.868 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -1.121 -2.385 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -1.943 -3.910 -3.946 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.211 -2.153 -1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.532 -1.808 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.281 -1.276 -3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -4.094 -2.842 -3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -4.072 -3.599 -0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.710 -4.698 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.527 -4.481 -0.854 1.00 0.00 H new ATOM 466 N CYS A 271 0.120 -5.621 -4.287 1.00 0.00 N ATOM 467 CA CYS A 271 0.735 -6.205 -5.484 1.00 0.00 C ATOM 468 C CYS A 271 0.619 -5.261 -6.703 1.00 0.00 C ATOM 469 O CYS A 271 -0.345 -4.499 -6.819 1.00 0.00 O ATOM 470 CB CYS A 271 0.054 -7.564 -5.731 1.00 0.00 C ATOM 471 SG CYS A 271 0.887 -8.472 -7.067 1.00 0.00 S ATOM 0 H CYS A 271 -0.731 -6.108 -4.006 1.00 0.00 H new ATOM 0 HA CYS A 271 1.805 -6.349 -5.332 1.00 0.00 H new ATOM 0 HB2 CYS A 271 0.073 -8.156 -4.816 1.00 0.00 H new ATOM 0 HB3 CYS A 271 -0.994 -7.409 -5.989 1.00 0.00 H new ATOM 0 HG CYS A 271 0.293 -9.614 -7.251 1.00 0.00 H new ATOM 477 N GLY A 272 1.568 -5.350 -7.643 1.00 0.00 N ATOM 478 CA GLY A 272 1.583 -4.557 -8.885 1.00 0.00 C ATOM 479 C GLY A 272 0.468 -4.915 -9.877 1.00 0.00 C ATOM 480 O GLY A 272 0.155 -4.112 -10.752 1.00 0.00 O ATOM 0 H GLY A 272 2.362 -5.985 -7.563 1.00 0.00 H new ATOM 0 HA2 GLY A 272 1.500 -3.501 -8.629 1.00 0.00 H new ATOM 0 HA3 GLY A 272 2.547 -4.691 -9.376 1.00 0.00 H new ATOM 484 N ASN A 273 -0.176 -6.077 -9.719 1.00 0.00 N ATOM 485 CA ASN A 273 -1.347 -6.512 -10.499 1.00 0.00 C ATOM 486 C ASN A 273 -2.684 -5.997 -9.899 1.00 0.00 C ATOM 487 O ASN A 273 -3.736 -6.627 -10.032 1.00 0.00 O ATOM 488 CB ASN A 273 -1.286 -8.045 -10.648 1.00 0.00 C ATOM 489 CG ASN A 273 -2.325 -8.618 -11.619 1.00 0.00 C ATOM 490 OD1 ASN A 273 -2.759 -7.978 -12.571 1.00 0.00 O ATOM 491 ND2 ASN A 273 -2.767 -9.845 -11.394 1.00 0.00 N ATOM 0 H ASN A 273 0.111 -6.765 -9.023 1.00 0.00 H new ATOM 0 HA ASN A 273 -1.315 -6.066 -11.493 1.00 0.00 H new ATOM 0 HB2 ASN A 273 -0.290 -8.327 -10.989 1.00 0.00 H new ATOM 0 HB3 ASN A 273 -1.429 -8.501 -9.668 1.00 0.00 H new ATOM 0 HD21 ASN A 273 -3.467 -10.256 -12.012 1.00 0.00 H new ATOM 0 HD22 ASN A 273 -2.408 -10.379 -10.603 1.00 0.00 H new ATOM 498 N ILE A 274 -2.658 -4.862 -9.189 1.00 0.00 N ATOM 499 CA ILE A 274 -3.818 -4.222 -8.546 1.00 0.00 C ATOM 500 C ILE A 274 -3.766 -2.711 -8.815 1.00 0.00 C ATOM 501 O ILE A 274 -2.687 -2.119 -8.842 1.00 0.00 O ATOM 502 CB ILE A 274 -3.864 -4.529 -7.024 1.00 0.00 C ATOM 503 CG1 ILE A 274 -3.772 -6.049 -6.737 1.00 0.00 C ATOM 504 CG2 ILE A 274 -5.158 -3.941 -6.430 1.00 0.00 C ATOM 505 CD1 ILE A 274 -3.777 -6.441 -5.256 1.00 0.00 C ATOM 0 H ILE A 274 -1.794 -4.341 -9.039 1.00 0.00 H new ATOM 0 HA ILE A 274 -4.735 -4.629 -8.972 1.00 0.00 H new ATOM 0 HB ILE A 274 -2.998 -4.066 -6.552 1.00 0.00 H new ATOM 0 HG12 ILE A 274 -4.608 -6.545 -7.229 1.00 0.00 H new ATOM 0 HG13 ILE A 274 -2.860 -6.433 -7.194 1.00 0.00 H new ATOM 0 HG21 ILE A 274 -5.197 -4.153 -5.361 1.00 0.00 H new ATOM 0 HG22 ILE A 274 -5.173 -2.862 -6.587 1.00 0.00 H new ATOM 0 HG23 ILE A 274 -6.021 -4.391 -6.921 1.00 0.00 H new ATOM 0 HD11 ILE A 274 -3.709 -7.525 -5.166 1.00 0.00 H new ATOM 0 HD12 ILE A 274 -2.925 -5.981 -4.755 1.00 0.00 H new ATOM 0 HD13 ILE A 274 -4.701 -6.096 -4.791 1.00 0.00 H new ATOM 517 N ASP A 275 -4.929 -2.088 -9.013 1.00 0.00 N ATOM 518 CA ASP A 275 -5.076 -0.669 -9.344 1.00 0.00 C ATOM 519 C ASP A 275 -6.110 0.002 -8.418 1.00 0.00 C ATOM 520 O ASP A 275 -7.181 -0.573 -8.190 1.00 0.00 O ATOM 521 CB ASP A 275 -5.498 -0.565 -10.815 1.00 0.00 C ATOM 522 CG ASP A 275 -5.503 0.883 -11.320 1.00 0.00 C ATOM 523 OD1 ASP A 275 -6.433 1.627 -10.935 1.00 0.00 O ATOM 524 OD2 ASP A 275 -4.583 1.268 -12.076 1.00 0.00 O ATOM 0 H ASP A 275 -5.824 -2.573 -8.945 1.00 0.00 H new ATOM 0 HA ASP A 275 -4.130 -0.148 -9.196 1.00 0.00 H new ATOM 0 HB2 ASP A 275 -4.819 -1.158 -11.428 1.00 0.00 H new ATOM 0 HB3 ASP A 275 -6.493 -0.993 -10.936 1.00 0.00 H new ATOM 529 N PRO A 276 -5.837 1.209 -7.889 1.00 0.00 N ATOM 530 CA PRO A 276 -6.723 1.855 -6.928 1.00 0.00 C ATOM 531 C PRO A 276 -8.097 2.248 -7.493 1.00 0.00 C ATOM 532 O PRO A 276 -9.021 2.469 -6.713 1.00 0.00 O ATOM 533 CB PRO A 276 -5.934 3.040 -6.374 1.00 0.00 C ATOM 534 CG PRO A 276 -4.936 3.369 -7.476 1.00 0.00 C ATOM 535 CD PRO A 276 -4.640 2.012 -8.102 1.00 0.00 C ATOM 0 HA PRO A 276 -6.997 1.155 -6.138 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.585 3.887 -6.160 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.429 2.783 -5.443 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.355 4.064 -8.203 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -4.034 3.832 -7.076 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.419 2.111 -9.165 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.770 1.548 -7.638 1.00 0.00 H new ATOM 543 N SER A 277 -8.289 2.259 -8.819 1.00 0.00 N ATOM 544 CA SER A 277 -9.597 2.463 -9.452 1.00 0.00 C ATOM 545 C SER A 277 -10.456 1.180 -9.524 1.00 0.00 C ATOM 546 O SER A 277 -11.618 1.266 -9.927 1.00 0.00 O ATOM 547 CB SER A 277 -9.411 3.068 -10.852 1.00 0.00 C ATOM 548 OG SER A 277 -8.788 4.349 -10.794 1.00 0.00 O ATOM 0 H SER A 277 -7.531 2.125 -9.489 1.00 0.00 H new ATOM 0 HA SER A 277 -10.148 3.157 -8.817 1.00 0.00 H new ATOM 0 HB2 SER A 277 -8.806 2.396 -11.461 1.00 0.00 H new ATOM 0 HB3 SER A 277 -10.381 3.157 -11.342 1.00 0.00 H new ATOM 0 HG SER A 277 -8.684 4.703 -11.702 1.00 0.00 H new ATOM 554 N VAL A 278 -9.937 0.011 -9.107 1.00 0.00 N ATOM 555 CA VAL A 278 -10.706 -1.256 -9.002 1.00 0.00 C ATOM 556 C VAL A 278 -10.843 -1.769 -7.553 1.00 0.00 C ATOM 557 O VAL A 278 -11.163 -2.940 -7.338 1.00 0.00 O ATOM 558 CB VAL A 278 -10.214 -2.361 -9.977 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.228 -1.869 -11.435 1.00 0.00 C ATOM 560 CG2 VAL A 278 -8.825 -2.934 -9.651 1.00 0.00 C ATOM 0 H VAL A 278 -8.961 -0.088 -8.829 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.714 -0.998 -9.327 1.00 0.00 H new ATOM 0 HB VAL A 278 -10.928 -3.174 -9.844 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -9.878 -2.666 -12.091 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.243 -1.588 -11.714 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -9.572 -1.004 -11.533 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -8.565 -3.698 -10.384 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -8.085 -2.134 -9.683 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -8.839 -3.377 -8.655 1.00 0.00 H new ATOM 570 N LEU A 279 -10.623 -0.902 -6.554 1.00 0.00 N ATOM 571 CA LEU A 279 -10.727 -1.228 -5.122 1.00 0.00 C ATOM 572 C LEU A 279 -11.986 -0.614 -4.465 1.00 0.00 C ATOM 573 O LEU A 279 -12.484 0.415 -4.939 1.00 0.00 O ATOM 574 CB LEU A 279 -9.434 -0.787 -4.405 1.00 0.00 C ATOM 575 CG LEU A 279 -8.198 -1.615 -4.806 1.00 0.00 C ATOM 576 CD1 LEU A 279 -6.941 -0.994 -4.193 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.318 -3.065 -4.305 1.00 0.00 C ATOM 0 H LEU A 279 -10.361 0.069 -6.722 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.840 -2.308 -5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.245 0.264 -4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.580 -0.865 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.133 -1.616 -5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -6.069 -1.582 -4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.825 0.027 -4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -7.033 -0.984 -3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.432 -3.627 -4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.403 -3.069 -3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.204 -3.528 -4.740 1.00 0.00 H new ATOM 589 N PRO A 280 -12.507 -1.245 -3.390 1.00 0.00 N ATOM 590 CA PRO A 280 -13.755 -0.864 -2.735 1.00 0.00 C ATOM 591 C PRO A 280 -13.597 0.405 -1.891 1.00 0.00 C ATOM 592 O PRO A 280 -12.549 0.646 -1.295 1.00 0.00 O ATOM 593 CB PRO A 280 -14.144 -2.072 -1.871 1.00 0.00 C ATOM 594 CG PRO A 280 -12.820 -2.763 -1.566 1.00 0.00 C ATOM 595 CD PRO A 280 -11.970 -2.458 -2.788 1.00 0.00 C ATOM 0 HA PRO A 280 -14.528 -0.623 -3.465 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.649 -1.760 -0.957 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.826 -2.737 -2.401 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.366 -2.375 -0.654 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -12.950 -3.836 -1.426 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -10.926 -2.319 -2.506 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -12.002 -3.286 -3.496 1.00 0.00 H new ATOM 603 N ASP A 281 -14.669 1.196 -1.792 1.00 0.00 N ATOM 604 CA ASP A 281 -14.722 2.417 -0.967 1.00 0.00 C ATOM 605 C ASP A 281 -14.686 2.129 0.550 1.00 0.00 C ATOM 606 O ASP A 281 -14.430 3.029 1.350 1.00 0.00 O ATOM 607 CB ASP A 281 -15.982 3.219 -1.323 1.00 0.00 C ATOM 608 CG ASP A 281 -15.952 3.752 -2.765 1.00 0.00 C ATOM 609 OD1 ASP A 281 -15.259 4.768 -3.014 1.00 0.00 O ATOM 610 OD2 ASP A 281 -16.640 3.166 -3.637 1.00 0.00 O ATOM 0 H ASP A 281 -15.540 1.008 -2.288 1.00 0.00 H new ATOM 0 HA ASP A 281 -13.826 2.996 -1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -16.860 2.587 -1.191 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -16.084 4.056 -0.632 1.00 0.00 H new ATOM 615 N ASN A 282 -14.895 0.868 0.933 1.00 0.00 N ATOM 616 CA ASN A 282 -14.874 0.348 2.305 1.00 0.00 C ATOM 617 C ASN A 282 -13.694 -0.616 2.554 1.00 0.00 C ATOM 618 O ASN A 282 -13.730 -1.410 3.496 1.00 0.00 O ATOM 619 CB ASN A 282 -16.248 -0.280 2.608 1.00 0.00 C ATOM 620 CG ASN A 282 -16.579 -1.464 1.698 1.00 0.00 C ATOM 621 OD1 ASN A 282 -16.074 -2.567 1.863 1.00 0.00 O ATOM 622 ND2 ASN A 282 -17.429 -1.269 0.704 1.00 0.00 N ATOM 0 H ASN A 282 -15.096 0.136 0.252 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.703 1.168 3.003 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -16.269 -0.610 3.647 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -17.021 0.481 2.500 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -17.664 -2.037 0.075 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -17.850 -0.350 0.566 1.00 0.00 H new ATOM 629 N TRP A 283 -12.642 -0.549 1.723 1.00 0.00 N ATOM 630 CA TRP A 283 -11.394 -1.294 1.921 1.00 0.00 C ATOM 631 C TRP A 283 -10.843 -1.120 3.347 1.00 0.00 C ATOM 632 O TRP A 283 -10.808 -0.017 3.886 1.00 0.00 O ATOM 633 CB TRP A 283 -10.345 -0.862 0.888 1.00 0.00 C ATOM 634 CG TRP A 283 -9.161 -1.768 0.869 1.00 0.00 C ATOM 635 CD1 TRP A 283 -9.002 -2.830 0.050 1.00 0.00 C ATOM 636 CD2 TRP A 283 -8.018 -1.778 1.778 1.00 0.00 C ATOM 637 NE1 TRP A 283 -7.854 -3.516 0.404 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.225 -2.926 1.482 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.600 -0.964 2.856 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.085 -3.249 2.228 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.462 -1.283 3.613 1.00 0.00 C ATOM 642 CH2 TRP A 283 -5.710 -2.425 3.299 1.00 0.00 C ATOM 0 H TRP A 283 -12.637 0.032 0.885 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.618 -2.352 1.782 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.800 -0.842 -0.102 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -10.018 0.154 1.109 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.668 -3.102 -0.756 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.515 -4.352 -0.072 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.168 -0.079 3.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.501 -4.123 1.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.166 -0.650 4.436 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -4.837 -2.671 3.886 1.00 0.00 H new ATOM 653 N SER A 284 -10.382 -2.200 3.960 1.00 0.00 N ATOM 654 CA SER A 284 -9.843 -2.227 5.323 1.00 0.00 C ATOM 655 C SER A 284 -8.683 -3.221 5.412 1.00 0.00 C ATOM 656 O SER A 284 -8.480 -4.020 4.494 1.00 0.00 O ATOM 657 CB SER A 284 -10.957 -2.595 6.319 1.00 0.00 C ATOM 658 OG SER A 284 -11.496 -3.887 6.056 1.00 0.00 O ATOM 0 H SER A 284 -10.370 -3.116 3.512 1.00 0.00 H new ATOM 0 HA SER A 284 -9.464 -1.237 5.578 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.561 -2.566 7.334 1.00 0.00 H new ATOM 0 HB3 SER A 284 -11.752 -1.852 6.266 1.00 0.00 H new ATOM 0 HG SER A 284 -12.199 -4.087 6.709 1.00 0.00 H new ATOM 664 N CYS A 285 -7.940 -3.208 6.522 1.00 0.00 N ATOM 665 CA CYS A 285 -6.842 -4.154 6.762 1.00 0.00 C ATOM 666 C CYS A 285 -7.253 -5.635 6.537 1.00 0.00 C ATOM 667 O CYS A 285 -6.446 -6.444 6.084 1.00 0.00 O ATOM 668 CB CYS A 285 -6.309 -3.994 8.195 1.00 0.00 C ATOM 669 SG CYS A 285 -5.812 -2.298 8.596 1.00 0.00 S ATOM 0 H CYS A 285 -8.081 -2.542 7.281 1.00 0.00 H new ATOM 0 HA CYS A 285 -6.066 -3.915 6.035 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -7.078 -4.315 8.898 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.455 -4.657 8.333 1.00 0.00 H new ATOM 674 N ASP A 286 -8.516 -5.990 6.806 1.00 0.00 N ATOM 675 CA ASP A 286 -9.096 -7.327 6.578 1.00 0.00 C ATOM 676 C ASP A 286 -9.172 -7.727 5.086 1.00 0.00 C ATOM 677 O ASP A 286 -9.335 -8.903 4.759 1.00 0.00 O ATOM 678 CB ASP A 286 -10.485 -7.360 7.232 1.00 0.00 C ATOM 679 CG ASP A 286 -11.127 -8.759 7.218 1.00 0.00 C ATOM 680 OD1 ASP A 286 -10.631 -9.656 7.939 1.00 0.00 O ATOM 681 OD2 ASP A 286 -12.153 -8.942 6.519 1.00 0.00 O ATOM 0 H ASP A 286 -9.189 -5.334 7.202 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.435 -8.066 7.031 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.403 -7.015 8.263 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -11.141 -6.661 6.713 1.00 0.00 H new ATOM 686 N GLN A 287 -9.020 -6.759 4.177 1.00 0.00 N ATOM 687 CA GLN A 287 -9.059 -6.907 2.721 1.00 0.00 C ATOM 688 C GLN A 287 -7.649 -6.832 2.092 1.00 0.00 C ATOM 689 O GLN A 287 -7.513 -6.720 0.871 1.00 0.00 O ATOM 690 CB GLN A 287 -10.027 -5.844 2.159 1.00 0.00 C ATOM 691 CG GLN A 287 -11.484 -6.128 2.564 1.00 0.00 C ATOM 692 CD GLN A 287 -12.404 -4.932 2.341 1.00 0.00 C ATOM 693 OE1 GLN A 287 -12.850 -4.654 1.237 1.00 0.00 O ATOM 694 NE2 GLN A 287 -12.717 -4.172 3.370 1.00 0.00 N ATOM 0 H GLN A 287 -8.856 -5.792 4.457 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.428 -7.898 2.457 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -9.735 -4.858 2.521 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -9.950 -5.820 1.072 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -11.856 -6.978 1.992 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.515 -6.413 3.616 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.352 -4.392 4.297 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.325 -3.363 3.240 1.00 0.00 H new ATOM 703 N ASN A 288 -6.587 -6.909 2.906 1.00 0.00 N ATOM 704 CA ASN A 288 -5.195 -6.915 2.446 1.00 0.00 C ATOM 705 C ASN A 288 -4.777 -8.252 1.807 1.00 0.00 C ATOM 706 O ASN A 288 -5.271 -9.320 2.185 1.00 0.00 O ATOM 707 CB ASN A 288 -4.267 -6.570 3.624 1.00 0.00 C ATOM 708 CG ASN A 288 -2.920 -6.031 3.157 1.00 0.00 C ATOM 709 OD1 ASN A 288 -2.845 -5.181 2.283 1.00 0.00 O ATOM 710 ND2 ASN A 288 -1.820 -6.530 3.687 1.00 0.00 N ATOM 0 H ASN A 288 -6.675 -6.970 3.920 1.00 0.00 H new ATOM 0 HA ASN A 288 -5.107 -6.161 1.664 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -4.751 -5.830 4.261 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.109 -7.460 4.233 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -0.907 -6.206 3.367 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -1.882 -7.240 4.417 1.00 0.00 H new ATOM 717 N THR A 289 -3.817 -8.192 0.874 1.00 0.00 N ATOM 718 CA THR A 289 -3.221 -9.368 0.213 1.00 0.00 C ATOM 719 C THR A 289 -2.094 -10.002 1.021 1.00 0.00 C ATOM 720 O THR A 289 -1.785 -11.174 0.811 1.00 0.00 O ATOM 721 CB THR A 289 -2.702 -8.994 -1.179 1.00 0.00 C ATOM 722 OG1 THR A 289 -1.856 -7.867 -1.072 1.00 0.00 O ATOM 723 CG2 THR A 289 -3.844 -8.650 -2.133 1.00 0.00 C ATOM 0 H THR A 289 -3.423 -7.309 0.549 1.00 0.00 H new ATOM 0 HA THR A 289 -4.017 -10.108 0.131 1.00 0.00 H new ATOM 0 HB THR A 289 -2.163 -9.854 -1.576 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.520 -7.625 -1.960 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.436 -8.390 -3.110 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.506 -9.510 -2.233 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.406 -7.804 -1.738 1.00 0.00 H new ATOM 731 N ASP A 290 -1.497 -9.259 1.956 1.00 0.00 N ATOM 732 CA ASP A 290 -0.336 -9.683 2.741 1.00 0.00 C ATOM 733 C ASP A 290 -0.739 -10.066 4.171 1.00 0.00 C ATOM 734 O ASP A 290 -1.181 -9.220 4.950 1.00 0.00 O ATOM 735 CB ASP A 290 0.723 -8.563 2.753 1.00 0.00 C ATOM 736 CG ASP A 290 2.145 -9.051 2.441 1.00 0.00 C ATOM 737 OD1 ASP A 290 2.444 -10.251 2.644 1.00 0.00 O ATOM 738 OD2 ASP A 290 2.976 -8.200 2.054 1.00 0.00 O ATOM 0 H ASP A 290 -1.817 -8.320 2.194 1.00 0.00 H new ATOM 0 HA ASP A 290 0.091 -10.570 2.274 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.442 -7.802 2.025 1.00 0.00 H new ATOM 0 HB3 ASP A 290 0.720 -8.084 3.732 1.00 0.00 H new ATOM 743 N VAL A 291 -0.548 -11.340 4.525 1.00 0.00 N ATOM 744 CA VAL A 291 -0.974 -11.926 5.817 1.00 0.00 C ATOM 745 C VAL A 291 -0.232 -11.348 7.028 1.00 0.00 C ATOM 746 O VAL A 291 -0.702 -11.455 8.159 1.00 0.00 O ATOM 747 CB VAL A 291 -0.832 -13.467 5.848 1.00 0.00 C ATOM 748 CG1 VAL A 291 -1.678 -14.111 4.742 1.00 0.00 C ATOM 749 CG2 VAL A 291 0.634 -13.925 5.723 1.00 0.00 C ATOM 0 H VAL A 291 -0.084 -12.014 3.915 1.00 0.00 H new ATOM 0 HA VAL A 291 -2.027 -11.654 5.893 1.00 0.00 H new ATOM 0 HB VAL A 291 -1.197 -13.797 6.821 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -1.564 -15.194 4.781 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -2.726 -13.851 4.888 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.345 -13.746 3.770 1.00 0.00 H new ATOM 0 HG21 VAL A 291 0.679 -15.014 5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 291 1.047 -13.568 4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.214 -13.517 6.551 1.00 0.00 H new ATOM 759 N GLN A 292 0.919 -10.715 6.784 1.00 0.00 N ATOM 760 CA GLN A 292 1.706 -10.015 7.796 1.00 0.00 C ATOM 761 C GLN A 292 1.021 -8.744 8.319 1.00 0.00 C ATOM 762 O GLN A 292 1.367 -8.286 9.404 1.00 0.00 O ATOM 763 CB GLN A 292 3.120 -9.727 7.264 1.00 0.00 C ATOM 764 CG GLN A 292 3.223 -9.319 5.783 1.00 0.00 C ATOM 765 CD GLN A 292 4.549 -8.624 5.442 1.00 0.00 C ATOM 766 OE1 GLN A 292 5.575 -8.803 6.089 1.00 0.00 O ATOM 767 NE2 GLN A 292 4.591 -7.787 4.426 1.00 0.00 N ATOM 0 H GLN A 292 1.337 -10.676 5.854 1.00 0.00 H new ATOM 0 HA GLN A 292 1.787 -10.677 8.658 1.00 0.00 H new ATOM 0 HB2 GLN A 292 3.558 -8.933 7.869 1.00 0.00 H new ATOM 0 HB3 GLN A 292 3.731 -10.617 7.417 1.00 0.00 H new ATOM 0 HG2 GLN A 292 3.113 -10.206 5.159 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.396 -8.652 5.537 1.00 0.00 H new ATOM 0 HE21 GLN A 292 3.753 -7.618 3.869 1.00 0.00 H new ATOM 0 HE22 GLN A 292 5.461 -7.308 4.196 1.00 0.00 H new ATOM 776 N TYR A 293 0.029 -8.210 7.593 1.00 0.00 N ATOM 777 CA TYR A 293 -0.702 -6.981 7.951 1.00 0.00 C ATOM 778 C TYR A 293 -2.201 -7.040 7.579 1.00 0.00 C ATOM 779 O TYR A 293 -2.838 -6.010 7.355 1.00 0.00 O ATOM 780 CB TYR A 293 0.015 -5.761 7.348 1.00 0.00 C ATOM 781 CG TYR A 293 1.430 -5.541 7.853 1.00 0.00 C ATOM 782 CD1 TYR A 293 1.643 -4.826 9.045 1.00 0.00 C ATOM 783 CD2 TYR A 293 2.532 -6.082 7.165 1.00 0.00 C ATOM 784 CE1 TYR A 293 2.940 -4.665 9.565 1.00 0.00 C ATOM 785 CE2 TYR A 293 3.830 -5.945 7.683 1.00 0.00 C ATOM 786 CZ TYR A 293 4.041 -5.238 8.890 1.00 0.00 C ATOM 787 OH TYR A 293 5.299 -5.118 9.400 1.00 0.00 O ATOM 0 H TYR A 293 -0.296 -8.628 6.721 1.00 0.00 H new ATOM 0 HA TYR A 293 -0.692 -6.883 9.037 1.00 0.00 H new ATOM 0 HB2 TYR A 293 0.044 -5.873 6.264 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.574 -4.869 7.560 1.00 0.00 H new ATOM 0 HD1 TYR A 293 0.801 -4.396 9.567 1.00 0.00 H new ATOM 0 HD2 TYR A 293 2.379 -6.606 6.233 1.00 0.00 H new ATOM 0 HE1 TYR A 293 3.094 -4.106 10.476 1.00 0.00 H new ATOM 0 HE2 TYR A 293 4.668 -6.380 7.159 1.00 0.00 H new ATOM 0 HH TYR A 293 5.936 -5.572 8.809 1.00 0.00 H new ATOM 797 N ASN A 294 -2.784 -8.244 7.520 1.00 0.00 N ATOM 798 CA ASN A 294 -4.172 -8.477 7.089 1.00 0.00 C ATOM 799 C ASN A 294 -5.233 -8.317 8.204 1.00 0.00 C ATOM 800 O ASN A 294 -6.334 -8.866 8.105 1.00 0.00 O ATOM 801 CB ASN A 294 -4.284 -9.823 6.351 1.00 0.00 C ATOM 802 CG ASN A 294 -4.261 -11.051 7.264 1.00 0.00 C ATOM 803 OD1 ASN A 294 -3.866 -11.002 8.424 1.00 0.00 O ATOM 804 ND2 ASN A 294 -4.698 -12.194 6.765 1.00 0.00 N ATOM 0 H ASN A 294 -2.296 -9.102 7.775 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.413 -7.676 6.391 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.209 -9.831 5.775 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -3.464 -9.901 5.637 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -4.706 -13.033 7.344 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -5.027 -12.237 5.800 1.00 0.00 H new ATOM 811 N ARG A 295 -4.898 -7.592 9.279 1.00 0.00 N ATOM 812 CA ARG A 295 -5.761 -7.334 10.437 1.00 0.00 C ATOM 813 C ARG A 295 -5.568 -5.923 10.985 1.00 0.00 C ATOM 814 O ARG A 295 -4.443 -5.454 11.156 1.00 0.00 O ATOM 815 CB ARG A 295 -5.441 -8.340 11.552 1.00 0.00 C ATOM 816 CG ARG A 295 -6.292 -9.610 11.480 1.00 0.00 C ATOM 817 CD ARG A 295 -5.863 -10.554 12.607 1.00 0.00 C ATOM 818 NE ARG A 295 -6.783 -11.698 12.740 1.00 0.00 N ATOM 819 CZ ARG A 295 -6.763 -12.611 13.705 1.00 0.00 C ATOM 820 NH1 ARG A 295 -5.869 -12.588 14.672 1.00 0.00 N ATOM 821 NH2 ARG A 295 -7.659 -13.574 13.711 1.00 0.00 N ATOM 0 H ARG A 295 -3.982 -7.152 9.369 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.794 -7.439 10.106 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.387 -8.613 11.495 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.595 -7.862 12.519 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.349 -9.362 11.577 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.165 -10.095 10.512 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -4.855 -10.919 12.412 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -5.827 -10.005 13.548 1.00 0.00 H new ATOM 0 HE ARG A 295 -7.503 -11.798 12.024 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -5.162 -11.853 14.696 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -5.883 -13.305 15.397 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -8.366 -13.618 12.977 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -7.647 -14.277 14.450 1.00 0.00 H new ATOM 835 N CYS A 296 -6.677 -5.305 11.380 1.00 0.00 N ATOM 836 CA CYS A 296 -6.743 -4.001 12.038 1.00 0.00 C ATOM 837 C CYS A 296 -6.070 -3.932 13.426 1.00 0.00 C ATOM 838 O CYS A 296 -5.801 -2.845 13.941 1.00 0.00 O ATOM 839 CB CYS A 296 -8.231 -3.660 12.151 1.00 0.00 C ATOM 840 SG CYS A 296 -8.773 -2.796 10.656 1.00 0.00 S ATOM 0 H CYS A 296 -7.599 -5.719 11.244 1.00 0.00 H new ATOM 0 HA CYS A 296 -6.180 -3.285 11.439 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.814 -4.571 12.288 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -8.406 -3.036 13.027 1.00 0.00 H new ATOM 845 N ASP A 297 -5.773 -5.088 14.019 1.00 0.00 N ATOM 846 CA ASP A 297 -5.113 -5.223 15.318 1.00 0.00 C ATOM 847 C ASP A 297 -3.584 -5.325 15.155 1.00 0.00 C ATOM 848 O ASP A 297 -2.848 -5.430 16.136 1.00 0.00 O ATOM 849 CB ASP A 297 -5.739 -6.433 16.021 1.00 0.00 C ATOM 850 CG ASP A 297 -5.320 -6.566 17.496 1.00 0.00 C ATOM 851 OD1 ASP A 297 -5.602 -5.635 18.290 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.754 -7.622 17.867 1.00 0.00 O ATOM 0 H ASP A 297 -5.993 -5.988 13.593 1.00 0.00 H new ATOM 0 HA ASP A 297 -5.267 -4.339 15.937 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.825 -6.355 15.965 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -5.457 -7.340 15.487 1.00 0.00 H new ATOM 857 N ILE A 298 -3.102 -5.261 13.908 1.00 0.00 N ATOM 858 CA ILE A 298 -1.683 -5.259 13.553 1.00 0.00 C ATOM 859 C ILE A 298 -1.242 -3.813 13.283 1.00 0.00 C ATOM 860 O ILE A 298 -1.904 -3.123 12.496 1.00 0.00 O ATOM 861 CB ILE A 298 -1.391 -6.163 12.335 1.00 0.00 C ATOM 862 CG1 ILE A 298 -1.927 -7.583 12.609 1.00 0.00 C ATOM 863 CG2 ILE A 298 0.118 -6.193 12.059 1.00 0.00 C ATOM 864 CD1 ILE A 298 -1.662 -8.596 11.489 1.00 0.00 C ATOM 0 H ILE A 298 -3.712 -5.207 13.093 1.00 0.00 H new ATOM 0 HA ILE A 298 -1.113 -5.669 14.386 1.00 0.00 H new ATOM 0 HB ILE A 298 -1.892 -5.765 11.453 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.478 -7.955 13.530 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -3.002 -7.524 12.780 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.318 -6.832 11.199 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.470 -5.183 11.850 1.00 0.00 H new ATOM 0 HG23 ILE A 298 0.640 -6.586 12.932 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -2.074 -9.565 11.770 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -2.135 -8.253 10.569 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.588 -8.691 11.331 1.00 0.00 H new ATOM 876 N PRO A 299 -0.124 -3.368 13.886 1.00 0.00 N ATOM 877 CA PRO A 299 0.406 -2.018 13.735 1.00 0.00 C ATOM 878 C PRO A 299 0.800 -1.713 12.289 1.00 0.00 C ATOM 879 O PRO A 299 0.998 -2.615 11.478 1.00 0.00 O ATOM 880 CB PRO A 299 1.610 -1.957 14.679 1.00 0.00 C ATOM 881 CG PRO A 299 2.070 -3.405 14.815 1.00 0.00 C ATOM 882 CD PRO A 299 0.762 -4.178 14.712 1.00 0.00 C ATOM 0 HA PRO A 299 -0.341 -1.264 13.982 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.401 -1.327 14.272 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.334 -1.537 15.646 1.00 0.00 H new ATOM 0 HG2 PRO A 299 2.769 -3.684 14.027 1.00 0.00 H new ATOM 0 HG3 PRO A 299 2.573 -3.583 15.765 1.00 0.00 H new ATOM 0 HD2 PRO A 299 0.923 -5.159 14.264 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.330 -4.345 15.699 1.00 0.00 H new ATOM 890 N GLU A 300 0.912 -0.425 11.956 1.00 0.00 N ATOM 891 CA GLU A 300 1.323 0.037 10.641 1.00 0.00 C ATOM 892 C GLU A 300 2.780 -0.373 10.335 1.00 0.00 C ATOM 893 O GLU A 300 3.666 -0.246 11.186 1.00 0.00 O ATOM 894 CB GLU A 300 1.131 1.563 10.587 1.00 0.00 C ATOM 895 CG GLU A 300 0.845 1.985 9.152 1.00 0.00 C ATOM 896 CD GLU A 300 0.856 3.505 8.945 1.00 0.00 C ATOM 897 OE1 GLU A 300 1.818 4.188 9.370 1.00 0.00 O ATOM 898 OE2 GLU A 300 -0.106 4.013 8.327 1.00 0.00 O ATOM 0 H GLU A 300 0.715 0.334 12.608 1.00 0.00 H new ATOM 0 HA GLU A 300 0.709 -0.431 9.871 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.308 1.860 11.236 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.025 2.067 10.955 1.00 0.00 H new ATOM 0 HG2 GLU A 300 1.587 1.532 8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 300 -0.127 1.593 8.854 1.00 0.00 H new ATOM 905 N GLU A 301 3.029 -0.874 9.118 1.00 0.00 N ATOM 906 CA GLU A 301 4.358 -1.296 8.659 1.00 0.00 C ATOM 907 C GLU A 301 5.325 -0.103 8.597 1.00 0.00 C ATOM 908 O GLU A 301 4.965 0.989 8.147 1.00 0.00 O ATOM 909 CB GLU A 301 4.234 -1.978 7.287 1.00 0.00 C ATOM 910 CG GLU A 301 5.562 -2.523 6.743 1.00 0.00 C ATOM 911 CD GLU A 301 5.394 -3.284 5.424 1.00 0.00 C ATOM 912 OE1 GLU A 301 4.650 -2.818 4.533 1.00 0.00 O ATOM 913 OE2 GLU A 301 6.059 -4.328 5.233 1.00 0.00 O ATOM 0 H GLU A 301 2.301 -0.999 8.414 1.00 0.00 H new ATOM 0 HA GLU A 301 4.769 -2.010 9.373 1.00 0.00 H new ATOM 0 HB2 GLU A 301 3.519 -2.798 7.363 1.00 0.00 H new ATOM 0 HB3 GLU A 301 3.825 -1.264 6.572 1.00 0.00 H new ATOM 0 HG2 GLU A 301 6.256 -1.695 6.594 1.00 0.00 H new ATOM 0 HG3 GLU A 301 6.009 -3.185 7.485 1.00 0.00 H new ATOM 920 N THR A 302 6.572 -0.334 9.026 1.00 0.00 N ATOM 921 CA THR A 302 7.669 0.644 8.953 1.00 0.00 C ATOM 922 C THR A 302 8.043 0.868 7.489 1.00 0.00 C ATOM 923 O THR A 302 8.367 -0.083 6.778 1.00 0.00 O ATOM 924 CB THR A 302 8.886 0.164 9.757 1.00 0.00 C ATOM 925 OG1 THR A 302 8.480 -0.195 11.062 1.00 0.00 O ATOM 926 CG2 THR A 302 9.962 1.248 9.875 1.00 0.00 C ATOM 0 H THR A 302 6.854 -1.222 9.442 1.00 0.00 H new ATOM 0 HA THR A 302 7.338 1.586 9.390 1.00 0.00 H new ATOM 0 HB THR A 302 9.307 -0.690 9.226 1.00 0.00 H new ATOM 0 HG1 THR A 302 9.257 -0.503 11.573 1.00 0.00 H new ATOM 0 HG21 THR A 302 10.804 0.864 10.451 1.00 0.00 H new ATOM 0 HG22 THR A 302 10.303 1.532 8.879 1.00 0.00 H new ATOM 0 HG23 THR A 302 9.546 2.121 10.378 1.00 0.00 H new ATOM 934 N TRP A 303 8.000 2.128 7.052 1.00 0.00 N ATOM 935 CA TRP A 303 8.221 2.547 5.657 1.00 0.00 C ATOM 936 C TRP A 303 9.170 3.761 5.540 1.00 0.00 C ATOM 937 O TRP A 303 9.201 4.441 4.509 1.00 0.00 O ATOM 938 CB TRP A 303 6.851 2.787 4.991 1.00 0.00 C ATOM 939 CG TRP A 303 6.099 4.011 5.434 1.00 0.00 C ATOM 940 CD1 TRP A 303 5.413 4.138 6.591 1.00 0.00 C ATOM 941 CD2 TRP A 303 5.951 5.297 4.748 1.00 0.00 C ATOM 942 NE1 TRP A 303 4.875 5.407 6.686 1.00 0.00 N ATOM 943 CE2 TRP A 303 5.197 6.174 5.586 1.00 0.00 C ATOM 944 CE3 TRP A 303 6.382 5.816 3.505 1.00 0.00 C ATOM 945 CZ2 TRP A 303 4.920 7.504 5.231 1.00 0.00 C ATOM 946 CZ3 TRP A 303 6.111 7.150 3.139 1.00 0.00 C ATOM 947 CH2 TRP A 303 5.394 7.997 4.005 1.00 0.00 C ATOM 0 H TRP A 303 7.805 2.913 7.674 1.00 0.00 H new ATOM 0 HA TRP A 303 8.737 1.749 5.123 1.00 0.00 H new ATOM 0 HB2 TRP A 303 7.001 2.849 3.913 1.00 0.00 H new ATOM 0 HB3 TRP A 303 6.224 1.915 5.176 1.00 0.00 H new ATOM 0 HD1 TRP A 303 5.302 3.361 7.333 1.00 0.00 H new ATOM 0 HE1 TRP A 303 4.311 5.735 7.470 1.00 0.00 H new ATOM 0 HE3 TRP A 303 6.928 5.179 2.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 4.350 8.139 5.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 6.456 7.525 2.187 1.00 0.00 H new ATOM 0 HH2 TRP A 303 5.209 9.024 3.727 1.00 0.00 H new ATOM 958 N THR A 304 9.927 4.049 6.611 1.00 0.00 N ATOM 959 CA THR A 304 10.788 5.231 6.773 1.00 0.00 C ATOM 960 C THR A 304 12.192 4.818 7.217 1.00 0.00 C ATOM 961 O THR A 304 12.359 4.009 8.134 1.00 0.00 O ATOM 962 CB THR A 304 10.130 6.248 7.718 1.00 0.00 C ATOM 963 OG1 THR A 304 10.943 7.401 7.762 1.00 0.00 O ATOM 964 CG2 THR A 304 9.918 5.757 9.155 1.00 0.00 C ATOM 0 H THR A 304 9.957 3.435 7.425 1.00 0.00 H new ATOM 0 HA THR A 304 10.904 5.729 5.810 1.00 0.00 H new ATOM 0 HB THR A 304 9.136 6.438 7.313 1.00 0.00 H new ATOM 0 HG1 THR A 304 10.538 8.064 8.360 1.00 0.00 H new ATOM 0 HG21 THR A 304 9.448 6.545 9.743 1.00 0.00 H new ATOM 0 HG22 THR A 304 9.274 4.877 9.148 1.00 0.00 H new ATOM 0 HG23 THR A 304 10.880 5.499 9.597 1.00 0.00 H new ATOM 972 N GLY A 305 13.198 5.381 6.539 1.00 0.00 N ATOM 973 CA GLY A 305 14.629 5.087 6.711 1.00 0.00 C ATOM 974 C GLY A 305 15.488 6.333 6.931 1.00 0.00 C ATOM 975 O GLY A 305 16.669 6.327 6.578 1.00 0.00 O ATOM 0 H GLY A 305 13.031 6.087 5.822 1.00 0.00 H new ATOM 0 HA2 GLY A 305 14.754 4.415 7.560 1.00 0.00 H new ATOM 0 HA3 GLY A 305 14.991 4.557 5.830 1.00 0.00 H new ATOM 979 N LEU A 306 14.899 7.408 7.469 1.00 0.00 N ATOM 980 CA LEU A 306 15.499 8.743 7.571 1.00 0.00 C ATOM 981 C LEU A 306 15.099 9.377 8.917 1.00 0.00 C ATOM 982 O LEU A 306 13.912 9.551 9.203 1.00 0.00 O ATOM 983 CB LEU A 306 15.052 9.547 6.327 1.00 0.00 C ATOM 984 CG LEU A 306 15.904 10.785 5.974 1.00 0.00 C ATOM 985 CD1 LEU A 306 15.508 11.284 4.575 1.00 0.00 C ATOM 986 CD2 LEU A 306 15.747 11.940 6.971 1.00 0.00 C ATOM 0 H LEU A 306 13.957 7.370 7.859 1.00 0.00 H new ATOM 0 HA LEU A 306 16.589 8.719 7.571 1.00 0.00 H new ATOM 0 HB2 LEU A 306 15.050 8.876 5.468 1.00 0.00 H new ATOM 0 HB3 LEU A 306 14.023 9.872 6.480 1.00 0.00 H new ATOM 0 HG LEU A 306 16.947 10.470 6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 306 16.106 12.159 4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 306 15.686 10.496 3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 306 14.451 11.552 4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 306 16.374 12.776 6.661 1.00 0.00 H new ATOM 0 HD22 LEU A 306 14.705 12.258 6.998 1.00 0.00 H new ATOM 0 HD23 LEU A 306 16.051 11.608 7.964 1.00 0.00 H new ATOM 998 N GLU A 307 16.097 9.673 9.759 1.00 0.00 N ATOM 999 CA GLU A 307 15.934 10.158 11.147 1.00 0.00 C ATOM 1000 C GLU A 307 15.366 11.591 11.254 1.00 0.00 C ATOM 1001 O GLU A 307 15.948 12.531 10.664 1.00 0.00 O ATOM 1002 CB GLU A 307 17.278 10.057 11.895 1.00 0.00 C ATOM 1003 CG GLU A 307 17.819 8.627 12.069 1.00 0.00 C ATOM 1004 CD GLU A 307 16.934 7.760 12.996 1.00 0.00 C ATOM 1005 OE1 GLU A 307 16.958 7.965 14.236 1.00 0.00 O ATOM 1006 OE2 GLU A 307 16.227 6.845 12.503 1.00 0.00 O ATOM 1007 OXT GLU A 307 14.350 11.770 11.963 1.00 0.00 O ATOM 0 H GLU A 307 17.076 9.580 9.489 1.00 0.00 H new ATOM 0 HA GLU A 307 15.190 9.511 11.612 1.00 0.00 H new ATOM 0 HB2 GLU A 307 18.021 10.648 11.358 1.00 0.00 H new ATOM 0 HB3 GLU A 307 17.163 10.508 12.880 1.00 0.00 H new ATOM 0 HG2 GLU A 307 17.891 8.149 11.092 1.00 0.00 H new ATOM 0 HG3 GLU A 307 18.829 8.673 12.477 1.00 0.00 H new TER 1014 GLU A 307 ATOM 1015 N ALA B 1 -12.284 4.913 1.319 1.00 0.00 N ATOM 1016 CA ALA B 1 -10.927 4.316 1.365 1.00 0.00 C ATOM 1017 C ALA B 1 -9.954 5.174 0.546 1.00 0.00 C ATOM 1018 O ALA B 1 -10.066 5.213 -0.681 1.00 0.00 O ATOM 1019 CB ALA B 1 -10.938 2.855 0.864 1.00 0.00 C ATOM 0 H1 ALA B 1 -12.997 4.157 1.349 1.00 0.00 H new ATOM 0 H2 ALA B 1 -12.414 5.543 2.136 1.00 0.00 H new ATOM 0 H3 ALA B 1 -12.394 5.458 0.440 1.00 0.00 H new ATOM 0 HA ALA B 1 -10.591 4.298 2.402 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -9.928 2.447 0.910 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -11.599 2.260 1.493 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -11.294 2.826 -0.166 1.00 0.00 H new ATOM 1027 N ARG B 2 -9.012 5.882 1.194 1.00 0.00 N ATOM 1028 CA ARG B 2 -7.974 6.648 0.480 1.00 0.00 C ATOM 1029 C ARG B 2 -6.926 5.727 -0.153 1.00 0.00 C ATOM 1030 O ARG B 2 -6.654 4.628 0.339 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.271 7.677 1.381 1.00 0.00 C ATOM 1032 CG ARG B 2 -8.137 8.915 1.649 1.00 0.00 C ATOM 1033 CD ARG B 2 -7.342 9.974 2.422 1.00 0.00 C ATOM 1034 NE ARG B 2 -8.125 11.208 2.609 1.00 0.00 N ATOM 1035 CZ ARG B 2 -7.772 12.255 3.348 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -6.648 12.278 4.035 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -8.556 13.310 3.402 1.00 0.00 N ATOM 0 H ARG B 2 -8.948 5.940 2.210 1.00 0.00 H new ATOM 0 HA ARG B 2 -8.498 7.189 -0.308 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -7.012 7.207 2.330 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.336 7.986 0.913 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -8.486 9.332 0.705 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -9.022 8.630 2.218 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -7.052 9.575 3.394 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.422 10.204 1.885 1.00 0.00 H new ATOM 0 HE ARG B 2 -9.022 11.264 2.126 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -6.018 11.476 4.010 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -6.407 13.098 4.592 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -9.431 13.322 2.878 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -8.289 14.115 3.968 1.00 0.00 H new ATOM 1051 N THR B 3 -6.312 6.228 -1.224 1.00 0.00 N ATOM 1052 CA THR B 3 -5.321 5.552 -2.067 1.00 0.00 C ATOM 1053 C THR B 3 -4.241 6.539 -2.483 1.00 0.00 C ATOM 1054 O THR B 3 -4.510 7.720 -2.714 1.00 0.00 O ATOM 1055 CB THR B 3 -5.982 4.930 -3.307 1.00 0.00 C ATOM 1056 OG1 THR B 3 -6.934 5.820 -3.857 1.00 0.00 O ATOM 1057 CG2 THR B 3 -6.678 3.616 -2.954 1.00 0.00 C ATOM 0 H THR B 3 -6.504 7.176 -1.548 1.00 0.00 H new ATOM 0 HA THR B 3 -4.868 4.746 -1.489 1.00 0.00 H new ATOM 0 HB THR B 3 -5.197 4.734 -4.037 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.346 5.411 -4.647 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.138 3.196 -3.849 1.00 0.00 H new ATOM 0 HG22 THR B 3 -5.947 2.912 -2.557 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.447 3.802 -2.204 1.00 0.00 H new HETATM 1065 N M3L B 4 -3.012 6.036 -2.577 1.00 0.00 N HETATM 1066 CA M3L B 4 -1.822 6.759 -3.056 1.00 0.00 C HETATM 1067 CB M3L B 4 -1.181 7.567 -1.903 1.00 0.00 C HETATM 1068 CG M3L B 4 -0.375 6.688 -0.934 1.00 0.00 C HETATM 1069 CD M3L B 4 0.221 7.458 0.247 1.00 0.00 C HETATM 1070 CE M3L B 4 1.268 6.532 0.900 1.00 0.00 C HETATM 1071 NZ M3L B 4 1.892 7.023 2.139 1.00 0.00 N HETATM 1072 C M3L B 4 -0.823 5.819 -3.741 1.00 0.00 C HETATM 1073 O M3L B 4 -0.983 4.598 -3.728 1.00 0.00 O HETATM 1074 CM1 M3L B 4 0.918 7.190 3.211 1.00 0.00 C HETATM 1075 CM2 M3L B 4 2.593 8.288 1.942 1.00 0.00 C HETATM 1076 CM3 M3L B 4 2.864 6.020 2.565 1.00 0.00 C HETATM 0 HM33 M3L B 4 2.355 5.073 2.743 1.00 0.00 H new HETATM 0 HM32 M3L B 4 3.615 5.887 1.786 1.00 0.00 H new HETATM 0 HM31 M3L B 4 3.349 6.350 3.484 1.00 0.00 H new HETATM 0 HM23 M3L B 4 3.378 8.157 1.198 1.00 0.00 H new HETATM 0 HM22 M3L B 4 1.888 9.044 1.596 1.00 0.00 H new HETATM 0 HM21 M3L B 4 3.036 8.609 2.885 1.00 0.00 H new HETATM 0 HM13 M3L B 4 0.159 7.909 2.904 1.00 0.00 H new HETATM 0 HM12 M3L B 4 0.445 6.232 3.425 1.00 0.00 H new HETATM 0 HM11 M3L B 4 1.422 7.554 4.107 1.00 0.00 H new HETATM 0 HG3 M3L B 4 -1.021 5.898 -0.552 1.00 0.00 H new HETATM 0 HG2 M3L B 4 0.431 6.202 -1.484 1.00 0.00 H new HETATM 0 HE3 M3L B 4 0.792 5.575 1.113 1.00 0.00 H new HETATM 0 HE2 M3L B 4 2.057 6.341 0.172 1.00 0.00 H new HETATM 0 HD3 M3L B 4 0.683 8.386 -0.090 1.00 0.00 H new HETATM 0 HD2 M3L B 4 -0.555 7.729 0.963 1.00 0.00 H new HETATM 0 HB3 M3L B 4 -0.527 8.332 -2.322 1.00 0.00 H new HETATM 0 HB2 M3L B 4 -1.964 8.085 -1.350 1.00 0.00 H new HETATM 0 HA M3L B 4 -2.137 7.471 -3.819 1.00 0.00 H new ATOM 1096 N GLN B 5 0.231 6.405 -4.299 1.00 0.00 N ATOM 1097 CA GLN B 5 1.317 5.698 -4.979 1.00 0.00 C ATOM 1098 C GLN B 5 2.635 6.405 -4.619 1.00 0.00 C ATOM 1099 O GLN B 5 2.830 7.566 -4.994 1.00 0.00 O ATOM 1100 CB GLN B 5 1.063 5.669 -6.503 1.00 0.00 C ATOM 1101 CG GLN B 5 -0.297 5.050 -6.897 1.00 0.00 C ATOM 1102 CD GLN B 5 -0.540 4.949 -8.408 1.00 0.00 C ATOM 1103 OE1 GLN B 5 -1.009 3.943 -8.922 1.00 0.00 O ATOM 1104 NE2 GLN B 5 -0.281 5.985 -9.182 1.00 0.00 N ATOM 0 H GLN B 5 0.360 7.417 -4.292 1.00 0.00 H new ATOM 0 HA GLN B 5 1.373 4.659 -4.656 1.00 0.00 H new ATOM 0 HB2 GLN B 5 1.114 6.687 -6.890 1.00 0.00 H new ATOM 0 HB3 GLN B 5 1.862 5.105 -6.984 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -0.366 4.052 -6.464 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -1.095 5.646 -6.453 1.00 0.00 H new ATOM 0 HE21 GLN B 5 0.110 6.837 -8.780 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -0.472 5.934 -10.183 1.00 0.00 H new ATOM 1113 N THR B 6 3.513 5.733 -3.857 1.00 0.00 N ATOM 1114 CA THR B 6 4.723 6.320 -3.241 1.00 0.00 C ATOM 1115 C THR B 6 5.890 5.331 -3.229 1.00 0.00 C ATOM 1116 O THR B 6 5.686 4.122 -3.326 1.00 0.00 O ATOM 1117 CB THR B 6 4.458 6.876 -1.831 1.00 0.00 C ATOM 1118 OG1 THR B 6 3.899 5.887 -1.002 1.00 0.00 O ATOM 1119 CG2 THR B 6 3.506 8.073 -1.843 1.00 0.00 C ATOM 0 H THR B 6 3.402 4.742 -3.645 1.00 0.00 H new ATOM 0 HA THR B 6 5.005 7.165 -3.870 1.00 0.00 H new ATOM 0 HB THR B 6 5.427 7.198 -1.449 1.00 0.00 H new ATOM 0 HG1 THR B 6 3.723 5.079 -1.529 1.00 0.00 H new ATOM 0 HG21 THR B 6 3.353 8.426 -0.823 1.00 0.00 H new ATOM 0 HG22 THR B 6 3.936 8.874 -2.444 1.00 0.00 H new ATOM 0 HG23 THR B 6 2.549 7.773 -2.270 1.00 0.00 H new ATOM 1127 N ALA B 7 7.117 5.854 -3.129 1.00 0.00 N ATOM 1128 CA ALA B 7 8.374 5.103 -3.263 1.00 0.00 C ATOM 1129 C ALA B 7 8.502 3.899 -2.305 1.00 0.00 C ATOM 1130 O ALA B 7 8.009 3.921 -1.173 1.00 0.00 O ATOM 1131 CB ALA B 7 9.540 6.088 -3.084 1.00 0.00 C ATOM 0 H ALA B 7 7.269 6.846 -2.946 1.00 0.00 H new ATOM 0 HA ALA B 7 8.390 4.657 -4.257 1.00 0.00 H new ATOM 0 HB1 ALA B 7 10.485 5.554 -3.179 1.00 0.00 H new ATOM 0 HB2 ALA B 7 9.482 6.863 -3.848 1.00 0.00 H new ATOM 0 HB3 ALA B 7 9.480 6.547 -2.097 1.00 0.00 H new ATOM 1137 N ARG B 8 9.215 2.856 -2.758 1.00 0.00 N ATOM 1138 CA ARG B 8 9.292 1.536 -2.102 1.00 0.00 C ATOM 1139 C ARG B 8 10.385 1.429 -1.014 1.00 0.00 C ATOM 1140 O ARG B 8 10.784 0.325 -0.635 1.00 0.00 O ATOM 1141 CB ARG B 8 9.402 0.390 -3.143 1.00 0.00 C ATOM 1142 CG ARG B 8 8.814 0.663 -4.542 1.00 0.00 C ATOM 1143 CD ARG B 8 8.558 -0.644 -5.309 1.00 0.00 C ATOM 1144 NE ARG B 8 8.137 -0.381 -6.702 1.00 0.00 N ATOM 1145 CZ ARG B 8 7.194 -1.007 -7.403 1.00 0.00 C ATOM 1146 NH1 ARG B 8 6.433 -1.950 -6.888 1.00 0.00 N ATOM 1147 NH2 ARG B 8 7.003 -0.684 -8.663 1.00 0.00 N ATOM 0 H ARG B 8 9.769 2.906 -3.613 1.00 0.00 H new ATOM 0 HA ARG B 8 8.349 1.423 -1.567 1.00 0.00 H new ATOM 0 HB2 ARG B 8 10.456 0.138 -3.261 1.00 0.00 H new ATOM 0 HB3 ARG B 8 8.908 -0.490 -2.733 1.00 0.00 H new ATOM 0 HG2 ARG B 8 7.881 1.218 -4.444 1.00 0.00 H new ATOM 0 HG3 ARG B 8 9.500 1.291 -5.110 1.00 0.00 H new ATOM 0 HD2 ARG B 8 9.464 -1.250 -5.310 1.00 0.00 H new ATOM 0 HD3 ARG B 8 7.788 -1.222 -4.798 1.00 0.00 H new ATOM 0 HE ARG B 8 8.629 0.371 -7.184 1.00 0.00 H new ATOM 0 HH11 ARG B 8 6.554 -2.228 -5.914 1.00 0.00 H new ATOM 0 HH12 ARG B 8 5.722 -2.403 -7.463 1.00 0.00 H new ATOM 0 HH21 ARG B 8 7.575 0.041 -9.096 1.00 0.00 H new ATOM 0 HH22 ARG B 8 6.283 -1.158 -9.208 1.00 0.00 H new ATOM 1161 N LYS B 9 10.910 2.562 -0.534 1.00 0.00 N ATOM 1162 CA LYS B 9 12.009 2.641 0.442 1.00 0.00 C ATOM 1163 C LYS B 9 11.694 1.907 1.768 1.00 0.00 C ATOM 1164 O LYS B 9 10.572 1.978 2.282 1.00 0.00 O ATOM 1165 CB LYS B 9 12.351 4.131 0.648 1.00 0.00 C ATOM 1166 CG LYS B 9 13.610 4.341 1.509 1.00 0.00 C ATOM 1167 CD LYS B 9 14.037 5.813 1.609 1.00 0.00 C ATOM 1168 CE LYS B 9 14.562 6.353 0.269 1.00 0.00 C ATOM 1169 NZ LYS B 9 15.060 7.748 0.393 1.00 0.00 N ATOM 0 H LYS B 9 10.572 3.480 -0.822 1.00 0.00 H new ATOM 0 HA LYS B 9 12.881 2.117 0.051 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.498 4.603 -0.323 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.506 4.631 1.121 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.425 3.954 2.511 1.00 0.00 H new ATOM 0 HG3 LYS B 9 14.431 3.759 1.089 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.189 6.415 1.935 1.00 0.00 H new ATOM 0 HD3 LYS B 9 14.811 5.915 2.369 1.00 0.00 H new ATOM 0 HE2 LYS B 9 15.366 5.711 -0.092 1.00 0.00 H new ATOM 0 HE3 LYS B 9 13.766 6.316 -0.475 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 15.406 8.077 -0.531 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 14.287 8.365 0.713 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 15.837 7.779 1.084 1.00 0.00 H new ATOM 1183 N SER B 10 12.695 1.196 2.306 1.00 0.00 N ATOM 1184 CA SER B 10 12.650 0.462 3.587 1.00 0.00 C ATOM 1185 C SER B 10 12.396 1.362 4.805 1.00 0.00 C ATOM 1186 O SER B 10 11.650 0.926 5.709 1.00 0.00 O ATOM 1187 CB SER B 10 13.940 -0.347 3.773 1.00 0.00 C ATOM 1188 OG SER B 10 15.080 0.472 3.557 1.00 0.00 O ATOM 1189 OXT SER B 10 12.959 2.478 4.855 1.00 0.00 O ATOM 0 H SER B 10 13.600 1.111 1.843 1.00 0.00 H new ATOM 0 HA SER B 10 11.795 -0.211 3.530 1.00 0.00 H new ATOM 0 HB2 SER B 10 13.971 -0.765 4.779 1.00 0.00 H new ATOM 0 HB3 SER B 10 13.952 -1.187 3.078 1.00 0.00 H new ATOM 0 HG SER B 10 15.893 -0.060 3.682 1.00 0.00 H new TER 1195 SER B 10 HETATM 1196 ZN ZN A 501 -7.459 -1.273 9.700 1.00 0.00 ZN