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= 0.449 USER MOD Set 1.2: A 287 GLN : amide:sc= 1 X(o=1.4,f=0.96) USER MOD Set 2.1: A 271 CYS SG : rot 180:sc= 0.00136 USER MOD Set 2.2: A 289 THR OG1 : rot 180:sc= 0.00972 USER MOD Single : A 240 SER OG : rot 180:sc= 0 USER MOD Single : A 241 SER OG : rot 180:sc= 0 USER MOD Single : A 243 SER OG : rot -8:sc= 0.203 USER MOD Single : A 244 SER OG : rot 180:sc= 0 USER MOD Single : A 248 SER OG : rot -43:sc= 0.0905 USER MOD Single : A 252 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 253 CYS SG : rot 180:sc= -0.315 USER MOD Single : A 258 GLN : amide:sc= 0.715 K(o=0.71,f=-1.5) USER MOD Single : A 260 SER OG : rot -170:sc= 0 USER MOD Single : A 263 ASN : amide:sc= 0.0513 K(o=0.051,f=-1.2) USER MOD Single : A 266 LYS NZ :NH3+ 145:sc= 1.4 (180deg=0.0997) USER MOD Single : A 273 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 277 SER OG : rot -31:sc= 0.00526 USER MOD Single : A 282 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 288 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.32) USER MOD Single : A 292 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 293 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 ASN : amide:sc= -0.26 K(o=-0.26,f=-1.1) USER MOD Single : A 302 THR OG1 : rot 180:sc= 0 USER MOD Single : A 304 THR OG1 : rot 180:sc= 0.00878 USER MOD Single : B 1 ALA N :NH3+ 147:sc= 1.1 (180deg=0.428) USER MOD Single : B 3 THR OG1 : rot -170:sc= 0 USER MOD Single : B 5 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : B 6 THR OG1 : rot 150:sc= 0.677 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 239 0.166 -17.904 -1.553 1.00 0.00 N ATOM 2 CA GLY A 239 1.602 -17.580 -1.430 1.00 0.00 C ATOM 3 C GLY A 239 2.450 -18.633 -2.124 1.00 0.00 C ATOM 4 O GLY A 239 2.477 -19.783 -1.686 1.00 0.00 O ATOM 0 HA2 GLY A 239 1.798 -16.601 -1.868 1.00 0.00 H new ATOM 0 HA3 GLY A 239 1.878 -17.519 -0.377 1.00 0.00 H new ATOM 10 N SER A 240 3.148 -18.256 -3.198 1.00 0.00 N ATOM 11 CA SER A 240 3.906 -19.170 -4.074 1.00 0.00 C ATOM 12 C SER A 240 5.172 -18.492 -4.634 1.00 0.00 C ATOM 13 O SER A 240 5.201 -17.279 -4.850 1.00 0.00 O ATOM 14 CB SER A 240 3.025 -19.650 -5.244 1.00 0.00 C ATOM 15 OG SER A 240 1.864 -20.346 -4.800 1.00 0.00 O ATOM 0 H SER A 240 3.207 -17.282 -3.495 1.00 0.00 H new ATOM 0 HA SER A 240 4.208 -20.025 -3.469 1.00 0.00 H new ATOM 0 HB2 SER A 240 2.723 -18.791 -5.844 1.00 0.00 H new ATOM 0 HB3 SER A 240 3.610 -20.302 -5.892 1.00 0.00 H new ATOM 0 HG SER A 240 1.336 -20.629 -5.575 1.00 0.00 H new ATOM 21 N SER A 241 6.230 -19.265 -4.890 1.00 0.00 N ATOM 22 CA SER A 241 7.564 -18.778 -5.296 1.00 0.00 C ATOM 23 C SER A 241 7.775 -18.704 -6.826 1.00 0.00 C ATOM 24 O SER A 241 8.912 -18.600 -7.297 1.00 0.00 O ATOM 25 CB SER A 241 8.629 -19.653 -4.608 1.00 0.00 C ATOM 26 OG SER A 241 8.460 -21.041 -4.895 1.00 0.00 O ATOM 0 H SER A 241 6.187 -20.282 -4.820 1.00 0.00 H new ATOM 0 HA SER A 241 7.656 -17.742 -4.969 1.00 0.00 H new ATOM 0 HB2 SER A 241 9.620 -19.336 -4.931 1.00 0.00 H new ATOM 0 HB3 SER A 241 8.581 -19.499 -3.530 1.00 0.00 H new ATOM 0 HG SER A 241 9.158 -21.557 -4.440 1.00 0.00 H new ATOM 32 N GLY A 242 6.695 -18.757 -7.621 1.00 0.00 N ATOM 33 CA GLY A 242 6.698 -18.855 -9.092 1.00 0.00 C ATOM 34 C GLY A 242 7.037 -17.552 -9.829 1.00 0.00 C ATOM 35 O GLY A 242 6.326 -17.179 -10.760 1.00 0.00 O ATOM 0 H GLY A 242 5.750 -18.732 -7.239 1.00 0.00 H new ATOM 0 HA2 GLY A 242 7.416 -19.620 -9.389 1.00 0.00 H new ATOM 0 HA3 GLY A 242 5.716 -19.195 -9.420 1.00 0.00 H new ATOM 39 N SER A 243 8.098 -16.867 -9.392 1.00 0.00 N ATOM 40 CA SER A 243 8.750 -15.694 -10.018 1.00 0.00 C ATOM 41 C SER A 243 7.851 -14.454 -10.252 1.00 0.00 C ATOM 42 O SER A 243 8.207 -13.543 -11.004 1.00 0.00 O ATOM 43 CB SER A 243 9.578 -16.102 -11.258 1.00 0.00 C ATOM 44 OG SER A 243 8.807 -16.580 -12.356 1.00 0.00 O ATOM 0 H SER A 243 8.566 -17.132 -8.525 1.00 0.00 H new ATOM 0 HA SER A 243 9.443 -15.329 -9.260 1.00 0.00 H new ATOM 0 HB2 SER A 243 10.161 -15.242 -11.588 1.00 0.00 H new ATOM 0 HB3 SER A 243 10.288 -16.876 -10.966 1.00 0.00 H new ATOM 0 HG SER A 243 7.874 -16.692 -12.077 1.00 0.00 H new ATOM 50 N SER A 244 6.692 -14.377 -9.589 1.00 0.00 N ATOM 51 CA SER A 244 5.752 -13.246 -9.654 1.00 0.00 C ATOM 52 C SER A 244 6.343 -11.927 -9.109 1.00 0.00 C ATOM 53 O SER A 244 7.172 -11.928 -8.190 1.00 0.00 O ATOM 54 CB SER A 244 4.473 -13.589 -8.868 1.00 0.00 C ATOM 55 OG SER A 244 3.916 -14.842 -9.255 1.00 0.00 O ATOM 0 H SER A 244 6.370 -15.122 -8.972 1.00 0.00 H new ATOM 0 HA SER A 244 5.530 -13.086 -10.709 1.00 0.00 H new ATOM 0 HB2 SER A 244 4.700 -13.609 -7.802 1.00 0.00 H new ATOM 0 HB3 SER A 244 3.734 -12.803 -9.022 1.00 0.00 H new ATOM 0 HG SER A 244 3.108 -15.017 -8.729 1.00 0.00 H new ATOM 61 N GLY A 245 5.894 -10.789 -9.661 1.00 0.00 N ATOM 62 CA GLY A 245 6.401 -9.440 -9.365 1.00 0.00 C ATOM 63 C GLY A 245 6.820 -8.707 -10.640 1.00 0.00 C ATOM 64 O GLY A 245 6.091 -8.729 -11.633 1.00 0.00 O ATOM 0 H GLY A 245 5.142 -10.783 -10.350 1.00 0.00 H new ATOM 0 HA2 GLY A 245 5.631 -8.866 -8.850 1.00 0.00 H new ATOM 0 HA3 GLY A 245 7.252 -9.510 -8.688 1.00 0.00 H new ATOM 68 N GLU A 246 7.978 -8.041 -10.609 1.00 0.00 N ATOM 69 CA GLU A 246 8.557 -7.368 -11.780 1.00 0.00 C ATOM 70 C GLU A 246 9.009 -8.369 -12.863 1.00 0.00 C ATOM 71 O GLU A 246 9.380 -9.506 -12.563 1.00 0.00 O ATOM 72 CB GLU A 246 9.685 -6.404 -11.359 1.00 0.00 C ATOM 73 CG GLU A 246 10.940 -7.032 -10.723 1.00 0.00 C ATOM 74 CD GLU A 246 11.894 -7.740 -11.705 1.00 0.00 C ATOM 75 OE1 GLU A 246 11.999 -7.322 -12.883 1.00 0.00 O ATOM 76 OE2 GLU A 246 12.592 -8.692 -11.281 1.00 0.00 O ATOM 0 H GLU A 246 8.545 -7.952 -9.766 1.00 0.00 H new ATOM 0 HA GLU A 246 7.771 -6.767 -12.238 1.00 0.00 H new ATOM 0 HB2 GLU A 246 9.996 -5.842 -12.239 1.00 0.00 H new ATOM 0 HB3 GLU A 246 9.270 -5.685 -10.652 1.00 0.00 H new ATOM 0 HG2 GLU A 246 11.494 -6.250 -10.205 1.00 0.00 H new ATOM 0 HG3 GLU A 246 10.623 -7.752 -9.968 1.00 0.00 H new ATOM 83 N ILE A 247 8.985 -7.936 -14.129 1.00 0.00 N ATOM 84 CA ILE A 247 9.393 -8.737 -15.301 1.00 0.00 C ATOM 85 C ILE A 247 10.306 -7.890 -16.212 1.00 0.00 C ATOM 86 O ILE A 247 10.019 -7.654 -17.386 1.00 0.00 O ATOM 87 CB ILE A 247 8.173 -9.373 -16.032 1.00 0.00 C ATOM 88 CG1 ILE A 247 7.092 -9.926 -15.067 1.00 0.00 C ATOM 89 CG2 ILE A 247 8.675 -10.506 -16.955 1.00 0.00 C ATOM 90 CD1 ILE A 247 5.870 -10.551 -15.755 1.00 0.00 C ATOM 0 H ILE A 247 8.675 -6.997 -14.378 1.00 0.00 H new ATOM 0 HA ILE A 247 9.979 -9.593 -14.967 1.00 0.00 H new ATOM 0 HB ILE A 247 7.695 -8.580 -16.607 1.00 0.00 H new ATOM 0 HG12 ILE A 247 7.551 -10.676 -14.422 1.00 0.00 H new ATOM 0 HG13 ILE A 247 6.753 -9.115 -14.422 1.00 0.00 H new ATOM 0 HG21 ILE A 247 7.828 -10.957 -17.471 1.00 0.00 H new ATOM 0 HG22 ILE A 247 9.370 -10.097 -17.688 1.00 0.00 H new ATOM 0 HG23 ILE A 247 9.182 -11.264 -16.358 1.00 0.00 H new ATOM 0 HD11 ILE A 247 5.171 -10.909 -14.999 1.00 0.00 H new ATOM 0 HD12 ILE A 247 5.380 -9.802 -16.377 1.00 0.00 H new ATOM 0 HD13 ILE A 247 6.191 -11.386 -16.377 1.00 0.00 H new ATOM 102 N SER A 248 11.385 -7.359 -15.636 1.00 0.00 N ATOM 103 CA SER A 248 12.448 -6.575 -16.300 1.00 0.00 C ATOM 104 C SER A 248 12.028 -5.139 -16.701 1.00 0.00 C ATOM 105 O SER A 248 12.764 -4.444 -17.411 1.00 0.00 O ATOM 106 CB SER A 248 13.050 -7.362 -17.483 1.00 0.00 C ATOM 107 OG SER A 248 14.359 -6.914 -17.818 1.00 0.00 O ATOM 0 H SER A 248 11.558 -7.466 -14.637 1.00 0.00 H new ATOM 0 HA SER A 248 13.227 -6.428 -15.552 1.00 0.00 H new ATOM 0 HB2 SER A 248 13.084 -8.422 -17.232 1.00 0.00 H new ATOM 0 HB3 SER A 248 12.400 -7.261 -18.352 1.00 0.00 H new ATOM 0 HG SER A 248 14.382 -5.934 -17.809 1.00 0.00 H new ATOM 113 N GLY A 249 10.856 -4.669 -16.249 1.00 0.00 N ATOM 114 CA GLY A 249 10.339 -3.318 -16.514 1.00 0.00 C ATOM 115 C GLY A 249 11.025 -2.256 -15.652 1.00 0.00 C ATOM 116 O GLY A 249 11.207 -2.446 -14.447 1.00 0.00 O ATOM 0 H GLY A 249 10.227 -5.231 -15.676 1.00 0.00 H new ATOM 0 HA2 GLY A 249 10.482 -3.076 -17.567 1.00 0.00 H new ATOM 0 HA3 GLY A 249 9.266 -3.298 -16.326 1.00 0.00 H new ATOM 120 N PHE A 250 11.377 -1.119 -16.264 1.00 0.00 N ATOM 121 CA PHE A 250 12.147 -0.039 -15.627 1.00 0.00 C ATOM 122 C PHE A 250 11.276 1.012 -14.910 1.00 0.00 C ATOM 123 O PHE A 250 11.790 1.786 -14.097 1.00 0.00 O ATOM 124 CB PHE A 250 13.045 0.619 -16.688 1.00 0.00 C ATOM 125 CG PHE A 250 13.956 -0.347 -17.427 1.00 0.00 C ATOM 126 CD1 PHE A 250 15.061 -0.918 -16.766 1.00 0.00 C ATOM 127 CD2 PHE A 250 13.694 -0.690 -18.768 1.00 0.00 C ATOM 128 CE1 PHE A 250 15.898 -1.825 -17.441 1.00 0.00 C ATOM 129 CE2 PHE A 250 14.531 -1.596 -19.442 1.00 0.00 C ATOM 130 CZ PHE A 250 15.632 -2.166 -18.779 1.00 0.00 C ATOM 0 H PHE A 250 11.131 -0.918 -17.233 1.00 0.00 H new ATOM 0 HA PHE A 250 12.751 -0.489 -14.839 1.00 0.00 H new ATOM 0 HB2 PHE A 250 12.413 1.131 -17.414 1.00 0.00 H new ATOM 0 HB3 PHE A 250 13.658 1.380 -16.206 1.00 0.00 H new ATOM 0 HD1 PHE A 250 15.266 -0.659 -15.738 1.00 0.00 H new ATOM 0 HD2 PHE A 250 12.848 -0.256 -19.280 1.00 0.00 H new ATOM 0 HE1 PHE A 250 16.745 -2.260 -16.931 1.00 0.00 H new ATOM 0 HE2 PHE A 250 14.328 -1.855 -20.471 1.00 0.00 H new ATOM 0 HZ PHE A 250 16.273 -2.865 -19.297 1.00 0.00 H new ATOM 140 N GLY A 251 9.963 1.037 -15.176 1.00 0.00 N ATOM 141 CA GLY A 251 8.998 1.960 -14.563 1.00 0.00 C ATOM 142 C GLY A 251 8.527 1.446 -13.205 1.00 0.00 C ATOM 143 O GLY A 251 7.479 0.804 -13.114 1.00 0.00 O ATOM 0 H GLY A 251 9.531 0.397 -15.843 1.00 0.00 H new ATOM 0 HA2 GLY A 251 9.456 2.942 -14.444 1.00 0.00 H new ATOM 0 HA3 GLY A 251 8.141 2.086 -15.224 1.00 0.00 H new ATOM 147 N GLN A 252 9.310 1.712 -12.156 1.00 0.00 N ATOM 148 CA GLN A 252 9.013 1.274 -10.788 1.00 0.00 C ATOM 149 C GLN A 252 7.807 2.016 -10.181 1.00 0.00 C ATOM 150 O GLN A 252 7.577 3.197 -10.454 1.00 0.00 O ATOM 151 CB GLN A 252 10.268 1.378 -9.898 1.00 0.00 C ATOM 152 CG GLN A 252 10.766 2.815 -9.645 1.00 0.00 C ATOM 153 CD GLN A 252 12.017 2.873 -8.760 1.00 0.00 C ATOM 154 OE1 GLN A 252 12.289 2.005 -7.938 1.00 0.00 O ATOM 155 NE2 GLN A 252 12.826 3.906 -8.884 1.00 0.00 N ATOM 0 H GLN A 252 10.177 2.243 -12.233 1.00 0.00 H new ATOM 0 HA GLN A 252 8.724 0.224 -10.836 1.00 0.00 H new ATOM 0 HB2 GLN A 252 10.055 0.908 -8.938 1.00 0.00 H new ATOM 0 HB3 GLN A 252 11.072 0.806 -10.361 1.00 0.00 H new ATOM 0 HG2 GLN A 252 10.983 3.291 -10.601 1.00 0.00 H new ATOM 0 HG3 GLN A 252 9.969 3.391 -9.175 1.00 0.00 H new ATOM 0 HE21 GLN A 252 12.617 4.639 -9.562 1.00 0.00 H new ATOM 0 HE22 GLN A 252 13.661 3.973 -8.302 1.00 0.00 H new ATOM 164 N CYS A 253 7.044 1.314 -9.336 1.00 0.00 N ATOM 165 CA CYS A 253 5.807 1.776 -8.695 1.00 0.00 C ATOM 166 C CYS A 253 5.474 0.887 -7.480 1.00 0.00 C ATOM 167 O CYS A 253 5.983 -0.234 -7.364 1.00 0.00 O ATOM 168 CB CYS A 253 4.689 1.774 -9.763 1.00 0.00 C ATOM 169 SG CYS A 253 3.159 2.555 -9.160 1.00 0.00 S ATOM 0 H CYS A 253 7.284 0.360 -9.067 1.00 0.00 H new ATOM 0 HA CYS A 253 5.916 2.790 -8.309 1.00 0.00 H new ATOM 0 HB2 CYS A 253 5.037 2.300 -10.652 1.00 0.00 H new ATOM 0 HB3 CYS A 253 4.477 0.748 -10.063 1.00 0.00 H new ATOM 0 HG CYS A 253 2.259 2.527 -10.097 1.00 0.00 H new ATOM 175 N LEU A 254 4.604 1.384 -6.600 1.00 0.00 N ATOM 176 CA LEU A 254 4.061 0.697 -5.427 1.00 0.00 C ATOM 177 C LEU A 254 2.721 1.347 -5.054 1.00 0.00 C ATOM 178 O LEU A 254 2.657 2.562 -4.882 1.00 0.00 O ATOM 179 CB LEU A 254 5.103 0.787 -4.296 1.00 0.00 C ATOM 180 CG LEU A 254 4.675 0.220 -2.930 1.00 0.00 C ATOM 181 CD1 LEU A 254 4.300 -1.264 -3.018 1.00 0.00 C ATOM 182 CD2 LEU A 254 5.831 0.399 -1.932 1.00 0.00 C ATOM 0 H LEU A 254 4.238 2.332 -6.692 1.00 0.00 H new ATOM 0 HA LEU A 254 3.867 -0.358 -5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 254 6.003 0.263 -4.617 1.00 0.00 H new ATOM 0 HB3 LEU A 254 5.374 1.834 -4.162 1.00 0.00 H new ATOM 0 HG LEU A 254 3.791 0.764 -2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 254 4.004 -1.624 -2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 254 3.470 -1.389 -3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 254 5.158 -1.836 -3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 254 5.538 0.000 -0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 254 6.710 -0.135 -2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 254 6.066 1.459 -1.833 1.00 0.00 H new ATOM 194 N VAL A 255 1.657 0.548 -4.950 1.00 0.00 N ATOM 195 CA VAL A 255 0.296 1.005 -4.609 1.00 0.00 C ATOM 196 C VAL A 255 0.054 0.798 -3.112 1.00 0.00 C ATOM 197 O VAL A 255 0.399 -0.254 -2.565 1.00 0.00 O ATOM 198 CB VAL A 255 -0.783 0.258 -5.435 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.205 0.764 -5.130 1.00 0.00 C ATOM 200 CG2 VAL A 255 -0.540 0.401 -6.948 1.00 0.00 C ATOM 0 H VAL A 255 1.712 -0.459 -5.103 1.00 0.00 H new ATOM 0 HA VAL A 255 0.218 2.064 -4.854 1.00 0.00 H new ATOM 0 HB VAL A 255 -0.702 -0.789 -5.143 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -2.925 0.211 -5.733 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.425 0.615 -4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.272 1.826 -5.368 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -1.316 -0.136 -7.493 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -0.566 1.455 -7.223 1.00 0.00 H new ATOM 0 HG23 VAL A 255 0.435 -0.015 -7.201 1.00 0.00 H new ATOM 210 N TRP A 256 -0.573 1.787 -2.468 1.00 0.00 N ATOM 211 CA TRP A 256 -0.989 1.730 -1.066 1.00 0.00 C ATOM 212 C TRP A 256 -2.487 2.033 -0.907 1.00 0.00 C ATOM 213 O TRP A 256 -3.060 2.840 -1.643 1.00 0.00 O ATOM 214 CB TRP A 256 -0.191 2.731 -0.222 1.00 0.00 C ATOM 215 CG TRP A 256 1.295 2.597 -0.169 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.149 3.002 -1.132 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.126 2.063 0.908 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.445 2.788 -0.719 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.493 2.180 0.516 1.00 0.00 C ATOM 220 CE3 TRP A 256 1.865 1.478 2.169 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.548 1.712 1.313 1.00 0.00 C ATOM 222 CZ3 TRP A 256 2.914 0.970 2.957 1.00 0.00 C ATOM 223 CH2 TRP A 256 4.249 1.078 2.529 1.00 0.00 C ATOM 0 H TRP A 256 -0.810 2.670 -2.919 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.795 0.715 -0.719 1.00 0.00 H new ATOM 0 HB2 TRP A 256 -0.420 3.731 -0.590 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.565 2.674 0.800 1.00 0.00 H new ATOM 0 HD1 TRP A 256 1.860 3.429 -2.081 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.269 3.048 -1.261 1.00 0.00 H new ATOM 0 HE3 TRP A 256 0.849 1.421 2.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.573 1.837 0.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.692 0.492 3.900 1.00 0.00 H new ATOM 0 HH2 TRP A 256 5.045 0.673 3.136 1.00 0.00 H new ATOM 234 N VAL A 257 -3.088 1.428 0.116 1.00 0.00 N ATOM 235 CA VAL A 257 -4.509 1.563 0.493 1.00 0.00 C ATOM 236 C VAL A 257 -4.629 1.934 1.967 1.00 0.00 C ATOM 237 O VAL A 257 -3.971 1.315 2.803 1.00 0.00 O ATOM 238 CB VAL A 257 -5.303 0.256 0.255 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.860 0.199 -1.164 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.480 -1.014 0.530 1.00 0.00 C ATOM 0 H VAL A 257 -2.581 0.799 0.739 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.929 2.347 -0.138 1.00 0.00 H new ATOM 0 HB VAL A 257 -6.123 0.278 0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -6.413 -0.730 -1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.527 1.045 -1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -5.039 0.241 -1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -5.096 -1.894 0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.611 -1.034 -0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -4.149 -1.015 1.569 1.00 0.00 H new ATOM 250 N GLN A 258 -5.462 2.931 2.278 1.00 0.00 N ATOM 251 CA GLN A 258 -5.751 3.341 3.651 1.00 0.00 C ATOM 252 C GLN A 258 -7.009 2.639 4.178 1.00 0.00 C ATOM 253 O GLN A 258 -8.051 2.634 3.518 1.00 0.00 O ATOM 254 CB GLN A 258 -5.898 4.866 3.745 1.00 0.00 C ATOM 255 CG GLN A 258 -5.962 5.331 5.213 1.00 0.00 C ATOM 256 CD GLN A 258 -5.908 6.851 5.377 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.605 7.606 4.713 1.00 0.00 O ATOM 258 NE2 GLN A 258 -5.101 7.363 6.282 1.00 0.00 N ATOM 0 H GLN A 258 -5.958 3.480 1.576 1.00 0.00 H new ATOM 0 HA GLN A 258 -4.910 3.042 4.277 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -5.057 5.346 3.245 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.801 5.180 3.222 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.882 4.958 5.664 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.133 4.885 5.763 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.512 6.750 6.846 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -5.065 8.373 6.420 1.00 0.00 H new ATOM 267 N CYS A 259 -6.907 2.093 5.392 1.00 0.00 N ATOM 268 CA CYS A 259 -8.006 1.481 6.130 1.00 0.00 C ATOM 269 C CYS A 259 -9.215 2.432 6.285 1.00 0.00 C ATOM 270 O CYS A 259 -9.070 3.611 6.623 1.00 0.00 O ATOM 271 CB CYS A 259 -7.456 1.049 7.493 1.00 0.00 C ATOM 272 SG CYS A 259 -8.631 -0.078 8.291 1.00 0.00 S ATOM 0 H CYS A 259 -6.025 2.066 5.903 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.384 0.621 5.577 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.491 0.557 7.368 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.289 1.923 8.123 1.00 0.00 H new ATOM 277 N SER A 260 -10.416 1.912 6.037 1.00 0.00 N ATOM 278 CA SER A 260 -11.674 2.675 6.108 1.00 0.00 C ATOM 279 C SER A 260 -12.048 3.095 7.545 1.00 0.00 C ATOM 280 O SER A 260 -12.725 4.112 7.735 1.00 0.00 O ATOM 281 CB SER A 260 -12.802 1.900 5.411 1.00 0.00 C ATOM 282 OG SER A 260 -14.080 2.514 5.510 1.00 0.00 O ATOM 0 H SER A 260 -10.551 0.935 5.777 1.00 0.00 H new ATOM 0 HA SER A 260 -11.521 3.612 5.572 1.00 0.00 H new ATOM 0 HB2 SER A 260 -12.549 1.782 4.357 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.858 0.899 5.839 1.00 0.00 H new ATOM 0 HG SER A 260 -14.767 1.894 5.186 1.00 0.00 H new ATOM 288 N PHE A 261 -11.564 2.382 8.573 1.00 0.00 N ATOM 289 CA PHE A 261 -11.786 2.756 9.967 1.00 0.00 C ATOM 290 C PHE A 261 -10.942 3.977 10.386 1.00 0.00 C ATOM 291 O PHE A 261 -9.733 4.006 10.130 1.00 0.00 O ATOM 292 CB PHE A 261 -11.509 1.567 10.886 1.00 0.00 C ATOM 293 CG PHE A 261 -12.481 0.420 10.735 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.798 0.547 11.215 1.00 0.00 C ATOM 295 CD2 PHE A 261 -12.066 -0.782 10.133 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.699 -0.527 11.085 1.00 0.00 C ATOM 297 CE2 PHE A 261 -12.960 -1.858 10.015 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.280 -1.729 10.483 1.00 0.00 C ATOM 0 H PHE A 261 -11.010 1.533 8.456 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.833 3.044 10.064 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.501 1.201 10.692 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.529 1.911 11.920 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -14.117 1.467 11.682 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -11.057 -0.877 9.761 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.712 -0.429 11.447 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.634 -2.784 9.565 1.00 0.00 H new ATOM 0 HZ PHE A 261 -14.972 -2.552 10.381 1.00 0.00 H new ATOM 308 N PRO A 262 -11.553 4.955 11.082 1.00 0.00 N ATOM 309 CA PRO A 262 -10.901 6.194 11.503 1.00 0.00 C ATOM 310 C PRO A 262 -9.896 5.973 12.641 1.00 0.00 C ATOM 311 O PRO A 262 -8.870 6.646 12.697 1.00 0.00 O ATOM 312 CB PRO A 262 -12.055 7.094 11.949 1.00 0.00 C ATOM 313 CG PRO A 262 -13.122 6.122 12.452 1.00 0.00 C ATOM 314 CD PRO A 262 -12.943 4.933 11.519 1.00 0.00 C ATOM 0 HA PRO A 262 -10.311 6.630 10.697 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.742 7.782 12.735 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.428 7.701 11.124 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -12.963 5.848 13.495 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -14.124 6.546 12.383 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.174 3.999 12.032 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.619 5.004 10.667 1.00 0.00 H new ATOM 322 N ASN A 263 -10.164 4.997 13.515 1.00 0.00 N ATOM 323 CA ASN A 263 -9.260 4.558 14.587 1.00 0.00 C ATOM 324 C ASN A 263 -8.075 3.700 14.084 1.00 0.00 C ATOM 325 O ASN A 263 -7.180 3.366 14.865 1.00 0.00 O ATOM 326 CB ASN A 263 -10.080 3.819 15.657 1.00 0.00 C ATOM 327 CG ASN A 263 -10.733 2.548 15.121 1.00 0.00 C ATOM 328 OD1 ASN A 263 -11.757 2.595 14.449 1.00 0.00 O ATOM 329 ND2 ASN A 263 -10.158 1.388 15.380 1.00 0.00 N ATOM 0 H ASN A 263 -11.040 4.475 13.497 1.00 0.00 H new ATOM 0 HA ASN A 263 -8.799 5.446 15.019 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.431 3.564 16.495 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -10.852 4.485 16.042 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -10.566 0.525 15.020 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -9.306 1.355 15.940 1.00 0.00 H new ATOM 336 N CYS A 264 -8.063 3.363 12.789 1.00 0.00 N ATOM 337 CA CYS A 264 -6.961 2.716 12.084 1.00 0.00 C ATOM 338 C CYS A 264 -6.201 3.779 11.277 1.00 0.00 C ATOM 339 O CYS A 264 -5.149 4.257 11.708 1.00 0.00 O ATOM 340 CB CYS A 264 -7.530 1.591 11.202 1.00 0.00 C ATOM 341 SG CYS A 264 -6.530 0.083 11.267 1.00 0.00 S ATOM 0 H CYS A 264 -8.861 3.544 12.180 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.252 2.261 12.776 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.547 1.363 11.522 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.591 1.938 10.171 1.00 0.00 H new ATOM 346 N GLY A 265 -6.739 4.142 10.102 1.00 0.00 N ATOM 347 CA GLY A 265 -6.118 5.055 9.148 1.00 0.00 C ATOM 348 C GLY A 265 -4.790 4.535 8.590 1.00 0.00 C ATOM 349 O GLY A 265 -4.018 5.312 8.029 1.00 0.00 O ATOM 0 H GLY A 265 -7.645 3.794 9.787 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.807 5.231 8.322 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -5.949 6.017 9.633 1.00 0.00 H new ATOM 353 N LYS A 266 -4.513 3.238 8.753 1.00 0.00 N ATOM 354 CA LYS A 266 -3.244 2.608 8.389 1.00 0.00 C ATOM 355 C LYS A 266 -3.109 2.415 6.879 1.00 0.00 C ATOM 356 O LYS A 266 -4.086 2.068 6.212 1.00 0.00 O ATOM 357 CB LYS A 266 -3.120 1.250 9.085 1.00 0.00 C ATOM 358 CG LYS A 266 -3.012 1.374 10.600 1.00 0.00 C ATOM 359 CD LYS A 266 -2.862 -0.037 11.160 1.00 0.00 C ATOM 360 CE LYS A 266 -2.832 -0.032 12.681 1.00 0.00 C ATOM 361 NZ LYS A 266 -4.140 0.371 13.264 1.00 0.00 N ATOM 0 H LYS A 266 -5.184 2.582 9.152 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.445 3.274 8.715 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -3.987 0.638 8.835 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.242 0.730 8.703 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.156 1.990 10.875 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.898 1.858 11.010 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.689 -0.657 10.813 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -1.945 -0.486 10.778 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.565 -1.026 13.041 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -2.056 0.651 13.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -4.306 -0.158 14.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -4.129 1.390 13.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -4.901 0.163 12.586 1.00 0.00 H new ATOM 375 N TRP A 267 -1.895 2.561 6.351 1.00 0.00 N ATOM 376 CA TRP A 267 -1.577 2.291 4.953 1.00 0.00 C ATOM 377 C TRP A 267 -0.902 0.921 4.819 1.00 0.00 C ATOM 378 O TRP A 267 0.098 0.648 5.487 1.00 0.00 O ATOM 379 CB TRP A 267 -0.712 3.428 4.397 1.00 0.00 C ATOM 380 CG TRP A 267 -1.391 4.762 4.320 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.436 5.682 5.309 1.00 0.00 C ATOM 382 CD2 TRP A 267 -2.129 5.345 3.205 1.00 0.00 C ATOM 383 NE1 TRP A 267 -2.110 6.805 4.870 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.552 6.658 3.572 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.489 4.891 1.921 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.262 7.491 2.691 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -3.205 5.714 1.031 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.572 7.019 1.404 1.00 0.00 C ATOM 0 H TRP A 267 -1.091 2.876 6.894 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.492 2.252 4.362 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.177 3.525 5.020 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.373 3.152 3.399 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -1.010 5.558 6.293 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -2.262 7.640 5.436 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -2.211 3.894 1.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.565 8.481 2.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.474 5.340 0.054 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -4.091 7.657 0.704 1.00 0.00 H new ATOM 399 N ARG A 268 -1.452 0.067 3.949 1.00 0.00 N ATOM 400 CA ARG A 268 -0.912 -1.258 3.618 1.00 0.00 C ATOM 401 C ARG A 268 -0.504 -1.297 2.137 1.00 0.00 C ATOM 402 O ARG A 268 -1.166 -0.670 1.298 1.00 0.00 O ATOM 403 CB ARG A 268 -1.947 -2.362 3.921 1.00 0.00 C ATOM 404 CG ARG A 268 -2.670 -2.302 5.281 1.00 0.00 C ATOM 405 CD ARG A 268 -1.779 -2.349 6.521 1.00 0.00 C ATOM 406 NE ARG A 268 -2.611 -2.546 7.722 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.193 -2.738 8.962 1.00 0.00 C ATOM 408 NH1 ARG A 268 -0.938 -2.598 9.319 1.00 0.00 N ATOM 409 NH2 ARG A 268 -3.064 -3.064 9.880 1.00 0.00 N ATOM 0 H ARG A 268 -2.309 0.284 3.441 1.00 0.00 H new ATOM 0 HA ARG A 268 -0.032 -1.442 4.235 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -2.703 -2.339 3.136 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.442 -3.326 3.850 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.258 -1.385 5.316 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.373 -3.134 5.332 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -1.056 -3.159 6.431 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.211 -1.423 6.608 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.621 -2.533 7.581 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.238 -2.330 8.627 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.663 -2.757 10.288 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -4.049 -3.167 9.635 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.759 -3.216 10.841 1.00 0.00 H new ATOM 423 N ARG A 269 0.580 -2.019 1.830 1.00 0.00 N ATOM 424 CA ARG A 269 1.085 -2.255 0.467 1.00 0.00 C ATOM 425 C ARG A 269 0.245 -3.300 -0.276 1.00 0.00 C ATOM 426 O ARG A 269 -0.323 -4.197 0.345 1.00 0.00 O ATOM 427 CB ARG A 269 2.541 -2.749 0.507 1.00 0.00 C ATOM 428 CG ARG A 269 3.515 -1.700 1.033 1.00 0.00 C ATOM 429 CD ARG A 269 4.979 -2.152 0.942 1.00 0.00 C ATOM 430 NE ARG A 269 5.250 -3.302 1.819 1.00 0.00 N ATOM 431 CZ ARG A 269 5.746 -4.489 1.504 1.00 0.00 C ATOM 432 NH1 ARG A 269 6.053 -4.833 0.269 1.00 0.00 N ATOM 433 NH2 ARG A 269 5.942 -5.360 2.467 1.00 0.00 N ATOM 0 H ARG A 269 1.150 -2.471 2.545 1.00 0.00 H new ATOM 0 HA ARG A 269 1.022 -1.303 -0.060 1.00 0.00 H new ATOM 0 HB2 ARG A 269 2.600 -3.638 1.135 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.845 -3.047 -0.496 1.00 0.00 H new ATOM 0 HG2 ARG A 269 3.388 -0.777 0.468 1.00 0.00 H new ATOM 0 HG3 ARG A 269 3.273 -1.474 2.071 1.00 0.00 H new ATOM 0 HD2 ARG A 269 5.214 -2.417 -0.089 1.00 0.00 H new ATOM 0 HD3 ARG A 269 5.633 -1.324 1.215 1.00 0.00 H new ATOM 0 HE ARG A 269 5.025 -3.166 2.805 1.00 0.00 H new ATOM 0 HH11 ARG A 269 5.911 -4.172 -0.495 1.00 0.00 H new ATOM 0 HH12 ARG A 269 6.433 -5.760 0.077 1.00 0.00 H new ATOM 0 HH21 ARG A 269 5.713 -5.115 3.430 1.00 0.00 H new ATOM 0 HH22 ARG A 269 6.323 -6.281 2.252 1.00 0.00 H new ATOM 447 N LEU A 270 0.235 -3.210 -1.609 1.00 0.00 N ATOM 448 CA LEU A 270 -0.468 -4.122 -2.525 1.00 0.00 C ATOM 449 C LEU A 270 0.437 -4.629 -3.658 1.00 0.00 C ATOM 450 O LEU A 270 1.490 -4.053 -3.946 1.00 0.00 O ATOM 451 CB LEU A 270 -1.685 -3.404 -3.132 1.00 0.00 C ATOM 452 CG LEU A 270 -2.791 -2.995 -2.148 1.00 0.00 C ATOM 453 CD1 LEU A 270 -3.900 -2.340 -2.975 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.392 -4.171 -1.360 1.00 0.00 C ATOM 0 H LEU A 270 0.736 -2.471 -2.103 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.783 -4.987 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -1.334 -2.508 -3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -2.123 -4.054 -3.890 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.353 -2.327 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.711 -2.031 -2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.501 -1.467 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -4.278 -3.054 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -4.165 -3.801 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.828 -4.889 -2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.609 -4.658 -0.779 1.00 0.00 H new ATOM 466 N CYS A 271 -0.012 -5.694 -4.325 1.00 0.00 N ATOM 467 CA CYS A 271 0.647 -6.307 -5.484 1.00 0.00 C ATOM 468 C CYS A 271 0.606 -5.391 -6.724 1.00 0.00 C ATOM 469 O CYS A 271 -0.394 -4.712 -6.975 1.00 0.00 O ATOM 470 CB CYS A 271 -0.035 -7.658 -5.771 1.00 0.00 C ATOM 471 SG CYS A 271 0.051 -8.746 -4.315 1.00 0.00 S ATOM 0 H CYS A 271 -0.875 -6.172 -4.065 1.00 0.00 H new ATOM 0 HA CYS A 271 1.701 -6.462 -5.254 1.00 0.00 H new ATOM 0 HB2 CYS A 271 -1.077 -7.494 -6.047 1.00 0.00 H new ATOM 0 HB3 CYS A 271 0.447 -8.141 -6.621 1.00 0.00 H new ATOM 0 HG CYS A 271 -0.533 -9.876 -4.583 1.00 0.00 H new ATOM 477 N GLY A 272 1.662 -5.424 -7.547 1.00 0.00 N ATOM 478 CA GLY A 272 1.823 -4.559 -8.731 1.00 0.00 C ATOM 479 C GLY A 272 0.830 -4.818 -9.874 1.00 0.00 C ATOM 480 O GLY A 272 0.723 -3.999 -10.785 1.00 0.00 O ATOM 0 H GLY A 272 2.445 -6.063 -7.409 1.00 0.00 H new ATOM 0 HA2 GLY A 272 1.727 -3.520 -8.417 1.00 0.00 H new ATOM 0 HA3 GLY A 272 2.835 -4.683 -9.116 1.00 0.00 H new ATOM 484 N ASN A 273 0.079 -5.923 -9.815 1.00 0.00 N ATOM 485 CA ASN A 273 -1.002 -6.263 -10.752 1.00 0.00 C ATOM 486 C ASN A 273 -2.366 -5.635 -10.373 1.00 0.00 C ATOM 487 O ASN A 273 -3.343 -5.801 -11.107 1.00 0.00 O ATOM 488 CB ASN A 273 -1.108 -7.796 -10.854 1.00 0.00 C ATOM 489 CG ASN A 273 0.171 -8.438 -11.387 1.00 0.00 C ATOM 490 OD1 ASN A 273 1.037 -8.866 -10.631 1.00 0.00 O ATOM 491 ND2 ASN A 273 0.327 -8.524 -12.696 1.00 0.00 N ATOM 0 H ASN A 273 0.210 -6.629 -9.091 1.00 0.00 H new ATOM 0 HA ASN A 273 -0.747 -5.836 -11.722 1.00 0.00 H new ATOM 0 HB2 ASN A 273 -1.334 -8.207 -9.870 1.00 0.00 H new ATOM 0 HB3 ASN A 273 -1.941 -8.056 -11.507 1.00 0.00 H new ATOM 0 HD21 ASN A 273 1.171 -8.948 -13.082 1.00 0.00 H new ATOM 0 HD22 ASN A 273 -0.396 -8.167 -13.320 1.00 0.00 H new ATOM 498 N ILE A 274 -2.458 -4.925 -9.240 1.00 0.00 N ATOM 499 CA ILE A 274 -3.694 -4.311 -8.713 1.00 0.00 C ATOM 500 C ILE A 274 -3.687 -2.798 -8.982 1.00 0.00 C ATOM 501 O ILE A 274 -2.633 -2.160 -8.967 1.00 0.00 O ATOM 502 CB ILE A 274 -3.850 -4.648 -7.206 1.00 0.00 C ATOM 503 CG1 ILE A 274 -3.880 -6.183 -6.996 1.00 0.00 C ATOM 504 CG2 ILE A 274 -5.124 -4.003 -6.625 1.00 0.00 C ATOM 505 CD1 ILE A 274 -3.898 -6.629 -5.531 1.00 0.00 C ATOM 0 H ILE A 274 -1.649 -4.754 -8.642 1.00 0.00 H new ATOM 0 HA ILE A 274 -4.562 -4.723 -9.228 1.00 0.00 H new ATOM 0 HB ILE A 274 -2.990 -4.238 -6.677 1.00 0.00 H new ATOM 0 HG12 ILE A 274 -4.761 -6.587 -7.495 1.00 0.00 H new ATOM 0 HG13 ILE A 274 -3.009 -6.620 -7.484 1.00 0.00 H new ATOM 0 HG21 ILE A 274 -5.210 -4.255 -5.568 1.00 0.00 H new ATOM 0 HG22 ILE A 274 -5.067 -2.920 -6.737 1.00 0.00 H new ATOM 0 HG23 ILE A 274 -5.997 -4.377 -7.159 1.00 0.00 H new ATOM 0 HD11 ILE A 274 -3.919 -7.718 -5.482 1.00 0.00 H new ATOM 0 HD12 ILE A 274 -3.004 -6.260 -5.027 1.00 0.00 H new ATOM 0 HD13 ILE A 274 -4.784 -6.227 -5.039 1.00 0.00 H new ATOM 517 N ASP A 275 -4.867 -2.219 -9.216 1.00 0.00 N ATOM 518 CA ASP A 275 -5.065 -0.794 -9.497 1.00 0.00 C ATOM 519 C ASP A 275 -6.094 -0.180 -8.525 1.00 0.00 C ATOM 520 O ASP A 275 -7.162 -0.771 -8.318 1.00 0.00 O ATOM 521 CB ASP A 275 -5.525 -0.644 -10.954 1.00 0.00 C ATOM 522 CG ASP A 275 -5.487 0.815 -11.427 1.00 0.00 C ATOM 523 OD1 ASP A 275 -6.349 1.600 -10.970 1.00 0.00 O ATOM 524 OD2 ASP A 275 -4.597 1.162 -12.238 1.00 0.00 O ATOM 0 H ASP A 275 -5.740 -2.746 -9.215 1.00 0.00 H new ATOM 0 HA ASP A 275 -4.128 -0.257 -9.353 1.00 0.00 H new ATOM 0 HB2 ASP A 275 -4.888 -1.250 -11.598 1.00 0.00 H new ATOM 0 HB3 ASP A 275 -6.539 -1.030 -11.055 1.00 0.00 H new ATOM 529 N PRO A 276 -5.827 1.005 -7.943 1.00 0.00 N ATOM 530 CA PRO A 276 -6.730 1.625 -6.980 1.00 0.00 C ATOM 531 C PRO A 276 -8.084 2.055 -7.567 1.00 0.00 C ATOM 532 O PRO A 276 -9.018 2.300 -6.805 1.00 0.00 O ATOM 533 CB PRO A 276 -5.945 2.792 -6.378 1.00 0.00 C ATOM 534 CG PRO A 276 -4.931 3.153 -7.457 1.00 0.00 C ATOM 535 CD PRO A 276 -4.623 1.808 -8.106 1.00 0.00 C ATOM 0 HA PRO A 276 -7.025 0.901 -6.220 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.597 3.634 -6.146 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.453 2.505 -5.449 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.342 3.862 -8.175 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -4.037 3.610 -7.033 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.374 1.930 -9.160 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.767 1.331 -7.629 1.00 0.00 H new ATOM 543 N SER A 277 -8.246 2.079 -8.895 1.00 0.00 N ATOM 544 CA SER A 277 -9.538 2.315 -9.558 1.00 0.00 C ATOM 545 C SER A 277 -10.483 1.090 -9.499 1.00 0.00 C ATOM 546 O SER A 277 -11.683 1.235 -9.748 1.00 0.00 O ATOM 547 CB SER A 277 -9.284 2.760 -11.012 1.00 0.00 C ATOM 548 OG SER A 277 -10.414 3.384 -11.617 1.00 0.00 O ATOM 0 H SER A 277 -7.476 1.934 -9.549 1.00 0.00 H new ATOM 0 HA SER A 277 -10.055 3.107 -9.015 1.00 0.00 H new ATOM 0 HB2 SER A 277 -8.442 3.452 -11.031 1.00 0.00 H new ATOM 0 HB3 SER A 277 -8.996 1.892 -11.605 1.00 0.00 H new ATOM 0 HG SER A 277 -11.237 3.001 -11.246 1.00 0.00 H new ATOM 554 N VAL A 278 -9.985 -0.102 -9.119 1.00 0.00 N ATOM 555 CA VAL A 278 -10.788 -1.344 -8.977 1.00 0.00 C ATOM 556 C VAL A 278 -10.871 -1.853 -7.523 1.00 0.00 C ATOM 557 O VAL A 278 -11.118 -3.037 -7.289 1.00 0.00 O ATOM 558 CB VAL A 278 -10.368 -2.457 -9.976 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.504 -1.979 -11.432 1.00 0.00 C ATOM 560 CG2 VAL A 278 -8.949 -3.005 -9.752 1.00 0.00 C ATOM 0 H VAL A 278 -8.999 -0.237 -8.897 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.805 -1.061 -9.251 1.00 0.00 H new ATOM 0 HB VAL A 278 -11.059 -3.278 -9.783 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -10.203 -2.780 -12.107 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.541 -1.708 -11.630 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -9.865 -1.111 -11.591 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -8.736 -3.777 -10.491 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -8.226 -2.196 -9.854 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -8.877 -3.431 -8.751 1.00 0.00 H new ATOM 570 N LEU A 279 -10.683 -0.962 -6.536 1.00 0.00 N ATOM 571 CA LEU A 279 -10.764 -1.273 -5.099 1.00 0.00 C ATOM 572 C LEU A 279 -11.989 -0.616 -4.418 1.00 0.00 C ATOM 573 O LEU A 279 -12.465 0.425 -4.888 1.00 0.00 O ATOM 574 CB LEU A 279 -9.437 -0.890 -4.416 1.00 0.00 C ATOM 575 CG LEU A 279 -8.255 -1.792 -4.830 1.00 0.00 C ATOM 576 CD1 LEU A 279 -6.953 -1.241 -4.247 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.439 -3.229 -4.311 1.00 0.00 C ATOM 0 H LEU A 279 -10.465 0.018 -6.719 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.916 -2.347 -4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.197 0.145 -4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.564 -0.943 -3.335 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.217 -1.804 -5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -6.122 -1.882 -4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.784 -0.232 -4.623 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -7.023 -1.216 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.590 -3.839 -4.619 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.501 -3.218 -3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.356 -3.650 -4.723 1.00 0.00 H new ATOM 589 N PRO A 280 -12.515 -1.233 -3.337 1.00 0.00 N ATOM 590 CA PRO A 280 -13.776 -0.857 -2.702 1.00 0.00 C ATOM 591 C PRO A 280 -13.654 0.417 -1.860 1.00 0.00 C ATOM 592 O PRO A 280 -12.605 0.705 -1.286 1.00 0.00 O ATOM 593 CB PRO A 280 -14.172 -2.063 -1.840 1.00 0.00 C ATOM 594 CG PRO A 280 -12.844 -2.736 -1.506 1.00 0.00 C ATOM 595 CD PRO A 280 -11.989 -2.448 -2.727 1.00 0.00 C ATOM 0 HA PRO A 280 -14.533 -0.623 -3.450 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.699 -1.752 -0.938 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.836 -2.738 -2.380 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.401 -2.324 -0.599 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -12.966 -3.807 -1.344 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -10.944 -2.317 -2.444 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -12.027 -3.280 -3.430 1.00 0.00 H new ATOM 603 N ASP A 281 -14.760 1.160 -1.742 1.00 0.00 N ATOM 604 CA ASP A 281 -14.853 2.392 -0.941 1.00 0.00 C ATOM 605 C ASP A 281 -14.781 2.144 0.580 1.00 0.00 C ATOM 606 O ASP A 281 -14.523 3.071 1.349 1.00 0.00 O ATOM 607 CB ASP A 281 -16.155 3.129 -1.290 1.00 0.00 C ATOM 608 CG ASP A 281 -16.180 3.627 -2.743 1.00 0.00 C ATOM 609 OD1 ASP A 281 -15.544 4.671 -3.028 1.00 0.00 O ATOM 610 OD2 ASP A 281 -16.849 2.985 -3.589 1.00 0.00 O ATOM 0 H ASP A 281 -15.634 0.919 -2.209 1.00 0.00 H new ATOM 0 HA ASP A 281 -13.985 3.001 -1.194 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -17.001 2.463 -1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -16.280 3.977 -0.617 1.00 0.00 H new ATOM 615 N ASN A 282 -14.957 0.891 1.005 1.00 0.00 N ATOM 616 CA ASN A 282 -14.914 0.425 2.396 1.00 0.00 C ATOM 617 C ASN A 282 -13.760 -0.577 2.621 1.00 0.00 C ATOM 618 O ASN A 282 -13.844 -1.450 3.490 1.00 0.00 O ATOM 619 CB ASN A 282 -16.289 -0.163 2.765 1.00 0.00 C ATOM 620 CG ASN A 282 -17.421 0.854 2.635 1.00 0.00 C ATOM 621 OD1 ASN A 282 -17.447 1.880 3.305 1.00 0.00 O ATOM 622 ND2 ASN A 282 -18.398 0.597 1.780 1.00 0.00 N ATOM 0 H ASN A 282 -15.144 0.130 0.352 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.708 1.265 3.059 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -16.498 -1.017 2.121 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -16.257 -0.536 3.789 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -19.173 1.253 1.679 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -18.376 -0.257 1.222 1.00 0.00 H new ATOM 629 N TRP A 283 -12.685 -0.477 1.825 1.00 0.00 N ATOM 630 CA TRP A 283 -11.451 -1.245 2.017 1.00 0.00 C ATOM 631 C TRP A 283 -10.901 -1.088 3.446 1.00 0.00 C ATOM 632 O TRP A 283 -10.876 0.007 3.999 1.00 0.00 O ATOM 633 CB TRP A 283 -10.397 -0.815 0.986 1.00 0.00 C ATOM 634 CG TRP A 283 -9.218 -1.728 0.967 1.00 0.00 C ATOM 635 CD1 TRP A 283 -9.061 -2.789 0.144 1.00 0.00 C ATOM 636 CD2 TRP A 283 -8.078 -1.747 1.879 1.00 0.00 C ATOM 637 NE1 TRP A 283 -7.925 -3.488 0.509 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.300 -2.904 1.591 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.651 -0.929 2.951 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.167 -3.237 2.343 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.515 -1.256 3.710 1.00 0.00 C ATOM 642 CH2 TRP A 283 -5.783 -2.413 3.409 1.00 0.00 C ATOM 0 H TRP A 283 -12.650 0.148 1.020 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.686 -2.299 1.870 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.850 -0.790 -0.005 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -10.065 0.199 1.210 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.720 -3.050 -0.671 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.592 -4.329 0.038 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.209 -0.036 3.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.594 -4.121 2.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.206 -0.617 4.524 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -4.918 -2.671 4.002 1.00 0.00 H new ATOM 653 N SER A 284 -10.429 -2.171 4.046 1.00 0.00 N ATOM 654 CA SER A 284 -9.865 -2.200 5.400 1.00 0.00 C ATOM 655 C SER A 284 -8.704 -3.194 5.468 1.00 0.00 C ATOM 656 O SER A 284 -8.524 -3.995 4.548 1.00 0.00 O ATOM 657 CB SER A 284 -10.959 -2.567 6.418 1.00 0.00 C ATOM 658 OG SER A 284 -11.503 -3.861 6.169 1.00 0.00 O ATOM 0 H SER A 284 -10.425 -3.086 3.595 1.00 0.00 H new ATOM 0 HA SER A 284 -9.481 -1.210 5.647 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.543 -2.535 7.425 1.00 0.00 H new ATOM 0 HB3 SER A 284 -11.756 -1.824 6.379 1.00 0.00 H new ATOM 0 HG SER A 284 -12.193 -4.060 6.836 1.00 0.00 H new ATOM 664 N CYS A 285 -7.935 -3.179 6.561 1.00 0.00 N ATOM 665 CA CYS A 285 -6.832 -4.125 6.782 1.00 0.00 C ATOM 666 C CYS A 285 -7.238 -5.606 6.550 1.00 0.00 C ATOM 667 O CYS A 285 -6.428 -6.409 6.088 1.00 0.00 O ATOM 668 CB CYS A 285 -6.283 -3.974 8.210 1.00 0.00 C ATOM 669 SG CYS A 285 -5.763 -2.286 8.613 1.00 0.00 S ATOM 0 H CYS A 285 -8.059 -2.510 7.321 1.00 0.00 H new ATOM 0 HA CYS A 285 -6.067 -3.877 6.047 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -7.048 -4.289 8.920 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.435 -4.647 8.337 1.00 0.00 H new ATOM 674 N ASP A 286 -8.498 -5.971 6.820 1.00 0.00 N ATOM 675 CA ASP A 286 -9.071 -7.308 6.587 1.00 0.00 C ATOM 676 C ASP A 286 -9.150 -7.703 5.092 1.00 0.00 C ATOM 677 O ASP A 286 -9.304 -8.880 4.762 1.00 0.00 O ATOM 678 CB ASP A 286 -10.461 -7.345 7.244 1.00 0.00 C ATOM 679 CG ASP A 286 -11.100 -8.744 7.226 1.00 0.00 C ATOM 680 OD1 ASP A 286 -10.601 -9.644 7.944 1.00 0.00 O ATOM 681 OD2 ASP A 286 -12.125 -8.929 6.526 1.00 0.00 O ATOM 0 H ASP A 286 -9.173 -5.321 7.222 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.406 -8.047 7.034 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.378 -7.003 8.276 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -11.119 -6.645 6.729 1.00 0.00 H new ATOM 686 N GLN A 287 -9.012 -6.731 4.188 1.00 0.00 N ATOM 687 CA GLN A 287 -9.078 -6.869 2.729 1.00 0.00 C ATOM 688 C GLN A 287 -7.679 -6.783 2.076 1.00 0.00 C ATOM 689 O GLN A 287 -7.562 -6.612 0.859 1.00 0.00 O ATOM 690 CB GLN A 287 -10.063 -5.805 2.199 1.00 0.00 C ATOM 691 CG GLN A 287 -11.510 -6.098 2.634 1.00 0.00 C ATOM 692 CD GLN A 287 -12.440 -4.900 2.449 1.00 0.00 C ATOM 693 OE1 GLN A 287 -12.918 -4.608 1.360 1.00 0.00 O ATOM 694 NE2 GLN A 287 -12.725 -4.151 3.494 1.00 0.00 N ATOM 0 H GLN A 287 -8.841 -5.766 4.471 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.446 -7.859 2.459 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -9.766 -4.821 2.563 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -10.010 -5.771 1.111 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -11.893 -6.941 2.059 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.516 -6.398 3.682 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.335 -4.381 4.408 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.336 -3.341 3.389 1.00 0.00 H new ATOM 703 N ASN A 288 -6.605 -6.906 2.868 1.00 0.00 N ATOM 704 CA ASN A 288 -5.215 -6.862 2.401 1.00 0.00 C ATOM 705 C ASN A 288 -4.756 -8.145 1.683 1.00 0.00 C ATOM 706 O ASN A 288 -5.269 -9.241 1.935 1.00 0.00 O ATOM 707 CB ASN A 288 -4.290 -6.544 3.590 1.00 0.00 C ATOM 708 CG ASN A 288 -2.941 -5.999 3.140 1.00 0.00 C ATOM 709 OD1 ASN A 288 -2.865 -5.129 2.287 1.00 0.00 O ATOM 710 ND2 ASN A 288 -1.842 -6.519 3.653 1.00 0.00 N ATOM 0 H ASN A 288 -6.682 -7.042 3.876 1.00 0.00 H new ATOM 0 HA ASN A 288 -5.156 -6.073 1.651 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -4.775 -5.817 4.241 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.136 -7.447 4.180 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -0.928 -6.194 3.337 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -1.906 -7.246 4.366 1.00 0.00 H new ATOM 717 N THR A 289 -3.740 -8.005 0.820 1.00 0.00 N ATOM 718 CA THR A 289 -3.121 -9.095 0.043 1.00 0.00 C ATOM 719 C THR A 289 -1.971 -9.784 0.769 1.00 0.00 C ATOM 720 O THR A 289 -1.555 -10.866 0.360 1.00 0.00 O ATOM 721 CB THR A 289 -2.641 -8.567 -1.313 1.00 0.00 C ATOM 722 OG1 THR A 289 -1.828 -7.425 -1.131 1.00 0.00 O ATOM 723 CG2 THR A 289 -3.828 -8.161 -2.180 1.00 0.00 C ATOM 0 H THR A 289 -3.309 -7.099 0.635 1.00 0.00 H new ATOM 0 HA THR A 289 -3.895 -9.850 -0.098 1.00 0.00 H new ATOM 0 HB THR A 289 -2.077 -9.363 -1.799 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.525 -7.097 -2.003 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.468 -7.789 -3.139 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.471 -9.026 -2.345 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.395 -7.378 -1.677 1.00 0.00 H new ATOM 731 N ASP A 290 -1.472 -9.184 1.851 1.00 0.00 N ATOM 732 CA ASP A 290 -0.315 -9.650 2.616 1.00 0.00 C ATOM 733 C ASP A 290 -0.711 -10.027 4.052 1.00 0.00 C ATOM 734 O ASP A 290 -1.142 -9.177 4.834 1.00 0.00 O ATOM 735 CB ASP A 290 0.787 -8.569 2.596 1.00 0.00 C ATOM 736 CG ASP A 290 2.128 -9.127 2.090 1.00 0.00 C ATOM 737 OD1 ASP A 290 2.538 -10.212 2.566 1.00 0.00 O ATOM 738 OD2 ASP A 290 2.758 -8.485 1.216 1.00 0.00 O ATOM 0 H ASP A 290 -1.877 -8.329 2.232 1.00 0.00 H new ATOM 0 HA ASP A 290 0.076 -10.554 2.150 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.474 -7.743 1.958 1.00 0.00 H new ATOM 0 HB3 ASP A 290 0.917 -8.165 3.600 1.00 0.00 H new ATOM 743 N VAL A 291 -0.540 -11.306 4.402 1.00 0.00 N ATOM 744 CA VAL A 291 -0.980 -11.903 5.686 1.00 0.00 C ATOM 745 C VAL A 291 -0.238 -11.353 6.910 1.00 0.00 C ATOM 746 O VAL A 291 -0.706 -11.481 8.040 1.00 0.00 O ATOM 747 CB VAL A 291 -0.859 -13.446 5.691 1.00 0.00 C ATOM 748 CG1 VAL A 291 -1.715 -14.061 4.574 1.00 0.00 C ATOM 749 CG2 VAL A 291 0.601 -13.923 5.556 1.00 0.00 C ATOM 0 H VAL A 291 -0.080 -11.980 3.790 1.00 0.00 H new ATOM 0 HA VAL A 291 -2.028 -11.615 5.765 1.00 0.00 H new ATOM 0 HB VAL A 291 -1.227 -13.786 6.659 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -1.616 -15.146 4.595 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -2.760 -13.789 4.725 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.378 -13.685 3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 291 0.630 -15.013 5.565 1.00 0.00 H new ATOM 0 HG22 VAL A 291 1.018 -13.557 4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.188 -13.538 6.389 1.00 0.00 H new ATOM 759 N GLN A 292 0.912 -10.719 6.676 1.00 0.00 N ATOM 760 CA GLN A 292 1.723 -10.047 7.688 1.00 0.00 C ATOM 761 C GLN A 292 1.075 -8.760 8.218 1.00 0.00 C ATOM 762 O GLN A 292 1.448 -8.304 9.297 1.00 0.00 O ATOM 763 CB GLN A 292 3.146 -9.804 7.150 1.00 0.00 C ATOM 764 CG GLN A 292 3.237 -9.485 5.649 1.00 0.00 C ATOM 765 CD GLN A 292 4.607 -8.957 5.214 1.00 0.00 C ATOM 766 OE1 GLN A 292 4.740 -7.872 4.664 1.00 0.00 O ATOM 767 NE2 GLN A 292 5.680 -9.693 5.433 1.00 0.00 N ATOM 0 H GLN A 292 1.317 -10.658 5.742 1.00 0.00 H new ATOM 0 HA GLN A 292 1.789 -10.710 8.550 1.00 0.00 H new ATOM 0 HB2 GLN A 292 3.591 -8.980 7.707 1.00 0.00 H new ATOM 0 HB3 GLN A 292 3.749 -10.689 7.354 1.00 0.00 H new ATOM 0 HG2 GLN A 292 3.008 -10.386 5.080 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.476 -8.747 5.397 1.00 0.00 H new ATOM 0 HE21 GLN A 292 5.591 -10.601 5.890 1.00 0.00 H new ATOM 0 HE22 GLN A 292 6.598 -9.354 5.145 1.00 0.00 H new ATOM 776 N TYR A 293 0.083 -8.209 7.507 1.00 0.00 N ATOM 777 CA TYR A 293 -0.632 -6.976 7.880 1.00 0.00 C ATOM 778 C TYR A 293 -2.136 -7.017 7.528 1.00 0.00 C ATOM 779 O TYR A 293 -2.767 -5.981 7.316 1.00 0.00 O ATOM 780 CB TYR A 293 0.086 -5.754 7.277 1.00 0.00 C ATOM 781 CG TYR A 293 1.515 -5.547 7.746 1.00 0.00 C ATOM 782 CD1 TYR A 293 1.765 -4.785 8.902 1.00 0.00 C ATOM 783 CD2 TYR A 293 2.591 -6.129 7.053 1.00 0.00 C ATOM 784 CE1 TYR A 293 3.080 -4.594 9.362 1.00 0.00 C ATOM 785 CE2 TYR A 293 3.909 -5.968 7.518 1.00 0.00 C ATOM 786 CZ TYR A 293 4.160 -5.193 8.675 1.00 0.00 C ATOM 787 OH TYR A 293 5.432 -5.022 9.131 1.00 0.00 O ATOM 0 H TYR A 293 -0.255 -8.616 6.635 1.00 0.00 H new ATOM 0 HA TYR A 293 -0.605 -6.889 8.966 1.00 0.00 H new ATOM 0 HB2 TYR A 293 0.088 -5.853 6.191 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.491 -4.860 7.515 1.00 0.00 H new ATOM 0 HD1 TYR A 293 0.940 -4.343 9.441 1.00 0.00 H new ATOM 0 HD2 TYR A 293 2.405 -6.704 6.158 1.00 0.00 H new ATOM 0 HE1 TYR A 293 3.264 -3.991 10.239 1.00 0.00 H new ATOM 0 HE2 TYR A 293 4.728 -6.436 6.992 1.00 0.00 H new ATOM 0 HH TYR A 293 6.056 -5.500 8.546 1.00 0.00 H new ATOM 797 N ASN A 294 -2.730 -8.216 7.471 1.00 0.00 N ATOM 798 CA ASN A 294 -4.126 -8.439 7.058 1.00 0.00 C ATOM 799 C ASN A 294 -5.173 -8.267 8.186 1.00 0.00 C ATOM 800 O ASN A 294 -6.281 -8.800 8.094 1.00 0.00 O ATOM 801 CB ASN A 294 -4.256 -9.787 6.329 1.00 0.00 C ATOM 802 CG ASN A 294 -4.227 -11.009 7.251 1.00 0.00 C ATOM 803 OD1 ASN A 294 -3.826 -10.952 8.408 1.00 0.00 O ATOM 804 ND2 ASN A 294 -4.663 -12.156 6.760 1.00 0.00 N ATOM 0 H ASN A 294 -2.244 -9.079 7.716 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.370 -7.638 6.360 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.189 -9.794 5.766 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -3.446 -9.874 5.604 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -4.666 -12.993 7.344 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -4.997 -12.205 5.797 1.00 0.00 H new ATOM 811 N ARG A 295 -4.816 -7.553 9.261 1.00 0.00 N ATOM 812 CA ARG A 295 -5.665 -7.299 10.431 1.00 0.00 C ATOM 813 C ARG A 295 -5.463 -5.893 10.989 1.00 0.00 C ATOM 814 O ARG A 295 -4.335 -5.431 11.157 1.00 0.00 O ATOM 815 CB ARG A 295 -5.336 -8.314 11.535 1.00 0.00 C ATOM 816 CG ARG A 295 -6.195 -9.577 11.452 1.00 0.00 C ATOM 817 CD ARG A 295 -5.735 -10.564 12.527 1.00 0.00 C ATOM 818 NE ARG A 295 -6.628 -11.732 12.606 1.00 0.00 N ATOM 819 CZ ARG A 295 -6.500 -12.766 13.432 1.00 0.00 C ATOM 820 NH1 ARG A 295 -5.513 -12.848 14.300 1.00 0.00 N ATOM 821 NH2 ARG A 295 -7.377 -13.744 13.393 1.00 0.00 N ATOM 0 H ARG A 295 -3.895 -7.121 9.343 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.702 -7.397 10.109 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.284 -8.590 11.467 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.480 -7.845 12.508 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.246 -9.327 11.595 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.106 -10.028 10.464 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -4.720 -10.895 12.308 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -5.705 -10.062 13.494 1.00 0.00 H new ATOM 0 HE ARG A 295 -7.421 -11.750 11.965 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -4.817 -12.104 14.353 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -5.444 -13.655 14.919 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -8.152 -13.708 12.731 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -7.283 -14.539 14.025 1.00 0.00 H new ATOM 835 N CYS A 296 -6.567 -5.275 11.395 1.00 0.00 N ATOM 836 CA CYS A 296 -6.626 -3.974 12.059 1.00 0.00 C ATOM 837 C CYS A 296 -5.927 -3.904 13.434 1.00 0.00 C ATOM 838 O CYS A 296 -5.647 -2.816 13.941 1.00 0.00 O ATOM 839 CB CYS A 296 -8.113 -3.642 12.200 1.00 0.00 C ATOM 840 SG CYS A 296 -8.696 -2.792 10.710 1.00 0.00 S ATOM 0 H CYS A 296 -7.491 -5.686 11.264 1.00 0.00 H new ATOM 0 HA CYS A 296 -6.077 -3.254 11.453 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.686 -4.556 12.356 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -8.273 -3.012 13.075 1.00 0.00 H new ATOM 845 N ASP A 297 -5.620 -5.059 14.024 1.00 0.00 N ATOM 846 CA ASP A 297 -4.939 -5.190 15.313 1.00 0.00 C ATOM 847 C ASP A 297 -3.413 -5.291 15.129 1.00 0.00 C ATOM 848 O ASP A 297 -2.661 -5.384 16.098 1.00 0.00 O ATOM 849 CB ASP A 297 -5.552 -6.396 16.034 1.00 0.00 C ATOM 850 CG ASP A 297 -5.111 -6.519 17.503 1.00 0.00 C ATOM 851 OD1 ASP A 297 -5.384 -5.585 18.295 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.533 -7.570 17.872 1.00 0.00 O ATOM 0 H ASP A 297 -5.846 -5.960 13.604 1.00 0.00 H new ATOM 0 HA ASP A 297 -5.085 -4.303 15.929 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.639 -6.320 15.994 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -5.276 -7.307 15.502 1.00 0.00 H new ATOM 857 N ILE A 298 -2.951 -5.242 13.872 1.00 0.00 N ATOM 858 CA ILE A 298 -1.538 -5.242 13.494 1.00 0.00 C ATOM 859 C ILE A 298 -1.101 -3.796 13.219 1.00 0.00 C ATOM 860 O ILE A 298 -1.779 -3.102 12.447 1.00 0.00 O ATOM 861 CB ILE A 298 -1.268 -6.146 12.272 1.00 0.00 C ATOM 862 CG1 ILE A 298 -1.802 -7.566 12.556 1.00 0.00 C ATOM 863 CG2 ILE A 298 0.236 -6.175 11.967 1.00 0.00 C ATOM 864 CD1 ILE A 298 -1.555 -8.582 11.436 1.00 0.00 C ATOM 0 H ILE A 298 -3.575 -5.200 13.066 1.00 0.00 H new ATOM 0 HA ILE A 298 -0.953 -5.653 14.317 1.00 0.00 H new ATOM 0 HB ILE A 298 -1.784 -5.749 11.398 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.340 -7.936 13.471 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -2.874 -7.505 12.742 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.420 -6.815 11.104 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.583 -5.165 11.751 1.00 0.00 H new ATOM 0 HG23 ILE A 298 0.775 -6.566 12.830 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -1.965 -9.550 11.726 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -2.041 -8.241 10.522 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.483 -8.679 11.263 1.00 0.00 H new ATOM 876 N PRO A 299 0.029 -3.352 13.798 1.00 0.00 N ATOM 877 CA PRO A 299 0.553 -2.001 13.641 1.00 0.00 C ATOM 878 C PRO A 299 0.922 -1.689 12.188 1.00 0.00 C ATOM 879 O PRO A 299 1.122 -2.588 11.374 1.00 0.00 O ATOM 880 CB PRO A 299 1.770 -1.939 14.565 1.00 0.00 C ATOM 881 CG PRO A 299 2.236 -3.386 14.692 1.00 0.00 C ATOM 882 CD PRO A 299 0.927 -4.161 14.610 1.00 0.00 C ATOM 0 HA PRO A 299 -0.192 -1.250 13.902 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.553 -1.306 14.146 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.508 -1.521 15.537 1.00 0.00 H new ATOM 0 HG2 PRO A 299 2.923 -3.663 13.892 1.00 0.00 H new ATOM 0 HG3 PRO A 299 2.755 -3.564 15.634 1.00 0.00 H new ATOM 0 HD2 PRO A 299 1.082 -5.142 14.160 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.510 -4.328 15.603 1.00 0.00 H new ATOM 890 N GLU A 300 1.003 -0.399 11.858 1.00 0.00 N ATOM 891 CA GLU A 300 1.362 0.081 10.534 1.00 0.00 C ATOM 892 C GLU A 300 2.808 -0.311 10.168 1.00 0.00 C ATOM 893 O GLU A 300 3.725 -0.199 10.988 1.00 0.00 O ATOM 894 CB GLU A 300 1.153 1.604 10.503 1.00 0.00 C ATOM 895 CG GLU A 300 0.838 2.044 9.079 1.00 0.00 C ATOM 896 CD GLU A 300 0.811 3.568 8.896 1.00 0.00 C ATOM 897 OE1 GLU A 300 1.739 4.271 9.362 1.00 0.00 O ATOM 898 OE2 GLU A 300 -0.145 4.057 8.255 1.00 0.00 O ATOM 0 H GLU A 300 0.816 0.352 12.522 1.00 0.00 H new ATOM 0 HA GLU A 300 0.725 -0.386 9.783 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.338 1.884 11.170 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.048 2.112 10.863 1.00 0.00 H new ATOM 0 HG2 GLU A 300 1.581 1.619 8.404 1.00 0.00 H new ATOM 0 HG3 GLU A 300 -0.129 1.635 8.787 1.00 0.00 H new ATOM 905 N GLU A 301 3.010 -0.786 8.934 1.00 0.00 N ATOM 906 CA GLU A 301 4.315 -1.229 8.432 1.00 0.00 C ATOM 907 C GLU A 301 5.312 -0.064 8.332 1.00 0.00 C ATOM 908 O GLU A 301 4.962 1.042 7.907 1.00 0.00 O ATOM 909 CB GLU A 301 4.131 -1.912 7.069 1.00 0.00 C ATOM 910 CG GLU A 301 5.443 -2.454 6.485 1.00 0.00 C ATOM 911 CD GLU A 301 5.214 -3.332 5.252 1.00 0.00 C ATOM 912 OE1 GLU A 301 4.319 -3.029 4.432 1.00 0.00 O ATOM 913 OE2 GLU A 301 5.974 -4.307 5.055 1.00 0.00 O ATOM 0 H GLU A 301 2.261 -0.875 8.247 1.00 0.00 H new ATOM 0 HA GLU A 301 4.734 -1.943 9.141 1.00 0.00 H new ATOM 0 HB2 GLU A 301 3.421 -2.732 7.173 1.00 0.00 H new ATOM 0 HB3 GLU A 301 3.695 -1.200 6.368 1.00 0.00 H new ATOM 0 HG2 GLU A 301 6.091 -1.619 6.218 1.00 0.00 H new ATOM 0 HG3 GLU A 301 5.966 -3.032 7.247 1.00 0.00 H new ATOM 920 N THR A 302 6.570 -0.335 8.698 1.00 0.00 N ATOM 921 CA THR A 302 7.692 0.611 8.607 1.00 0.00 C ATOM 922 C THR A 302 8.064 0.819 7.140 1.00 0.00 C ATOM 923 O THR A 302 8.462 -0.125 6.458 1.00 0.00 O ATOM 924 CB THR A 302 8.896 0.098 9.409 1.00 0.00 C ATOM 925 OG1 THR A 302 8.488 -0.216 10.725 1.00 0.00 O ATOM 926 CG2 THR A 302 10.021 1.132 9.493 1.00 0.00 C ATOM 0 H THR A 302 6.845 -1.242 9.076 1.00 0.00 H new ATOM 0 HA THR A 302 7.391 1.567 9.034 1.00 0.00 H new ATOM 0 HB THR A 302 9.274 -0.783 8.890 1.00 0.00 H new ATOM 0 HG1 THR A 302 9.257 -0.545 11.236 1.00 0.00 H new ATOM 0 HG21 THR A 302 10.850 0.722 10.070 1.00 0.00 H new ATOM 0 HG22 THR A 302 10.365 1.378 8.488 1.00 0.00 H new ATOM 0 HG23 THR A 302 9.651 2.034 9.980 1.00 0.00 H new ATOM 934 N TRP A 303 7.951 2.063 6.665 1.00 0.00 N ATOM 935 CA TRP A 303 8.150 2.452 5.257 1.00 0.00 C ATOM 936 C TRP A 303 9.151 3.612 5.073 1.00 0.00 C ATOM 937 O TRP A 303 9.259 4.187 3.986 1.00 0.00 O ATOM 938 CB TRP A 303 6.773 2.750 4.635 1.00 0.00 C ATOM 939 CG TRP A 303 6.079 3.998 5.105 1.00 0.00 C ATOM 940 CD1 TRP A 303 5.373 4.119 6.251 1.00 0.00 C ATOM 941 CD2 TRP A 303 5.993 5.306 4.453 1.00 0.00 C ATOM 942 NE1 TRP A 303 4.869 5.398 6.364 1.00 0.00 N ATOM 943 CE2 TRP A 303 5.225 6.177 5.284 1.00 0.00 C ATOM 944 CE3 TRP A 303 6.481 5.849 3.242 1.00 0.00 C ATOM 945 CZ2 TRP A 303 4.965 7.513 4.942 1.00 0.00 C ATOM 946 CZ3 TRP A 303 6.230 7.189 2.890 1.00 0.00 C ATOM 947 CH2 TRP A 303 5.481 8.024 3.739 1.00 0.00 C ATOM 0 H TRP A 303 7.712 2.854 7.263 1.00 0.00 H new ATOM 0 HA TRP A 303 8.615 1.619 4.729 1.00 0.00 H new ATOM 0 HB2 TRP A 303 6.894 2.814 3.554 1.00 0.00 H new ATOM 0 HB3 TRP A 303 6.119 1.901 4.833 1.00 0.00 H new ATOM 0 HD1 TRP A 303 5.225 3.330 6.973 1.00 0.00 H new ATOM 0 HE1 TRP A 303 4.304 5.726 7.148 1.00 0.00 H new ATOM 0 HE3 TRP A 303 7.057 5.225 2.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 4.376 8.140 5.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 6.616 7.579 1.960 1.00 0.00 H new ATOM 0 HH2 TRP A 303 5.303 9.054 3.467 1.00 0.00 H new ATOM 958 N THR A 304 9.893 3.945 6.138 1.00 0.00 N ATOM 959 CA THR A 304 10.789 5.108 6.260 1.00 0.00 C ATOM 960 C THR A 304 11.907 4.832 7.272 1.00 0.00 C ATOM 961 O THR A 304 11.874 3.823 7.981 1.00 0.00 O ATOM 962 CB THR A 304 9.955 6.360 6.590 1.00 0.00 C ATOM 963 OG1 THR A 304 10.752 7.511 6.414 1.00 0.00 O ATOM 964 CG2 THR A 304 9.390 6.361 8.014 1.00 0.00 C ATOM 0 H THR A 304 9.885 3.379 6.987 1.00 0.00 H new ATOM 0 HA THR A 304 11.293 5.296 5.312 1.00 0.00 H new ATOM 0 HB THR A 304 9.104 6.356 5.909 1.00 0.00 H new ATOM 0 HG1 THR A 304 10.223 8.310 6.622 1.00 0.00 H new ATOM 0 HG21 THR A 304 8.814 7.272 8.176 1.00 0.00 H new ATOM 0 HG22 THR A 304 8.743 5.494 8.150 1.00 0.00 H new ATOM 0 HG23 THR A 304 10.210 6.318 8.731 1.00 0.00 H new ATOM 972 N GLY A 305 12.910 5.713 7.321 1.00 0.00 N ATOM 973 CA GLY A 305 14.155 5.549 8.086 1.00 0.00 C ATOM 974 C GLY A 305 15.310 4.989 7.245 1.00 0.00 C ATOM 975 O GLY A 305 15.166 4.743 6.044 1.00 0.00 O ATOM 0 H GLY A 305 12.878 6.595 6.810 1.00 0.00 H new ATOM 0 HA2 GLY A 305 14.449 6.513 8.500 1.00 0.00 H new ATOM 0 HA3 GLY A 305 13.971 4.883 8.929 1.00 0.00 H new ATOM 979 N LEU A 306 16.470 4.810 7.884 1.00 0.00 N ATOM 980 CA LEU A 306 17.720 4.352 7.257 1.00 0.00 C ATOM 981 C LEU A 306 17.969 2.856 7.523 1.00 0.00 C ATOM 982 O LEU A 306 17.555 2.311 8.549 1.00 0.00 O ATOM 983 CB LEU A 306 18.905 5.206 7.768 1.00 0.00 C ATOM 984 CG LEU A 306 19.105 6.604 7.138 1.00 0.00 C ATOM 985 CD1 LEU A 306 19.420 6.519 5.637 1.00 0.00 C ATOM 986 CD2 LEU A 306 17.929 7.564 7.370 1.00 0.00 C ATOM 0 H LEU A 306 16.571 4.985 8.884 1.00 0.00 H new ATOM 0 HA LEU A 306 17.629 4.478 6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 306 18.786 5.336 8.844 1.00 0.00 H new ATOM 0 HB3 LEU A 306 19.821 4.635 7.616 1.00 0.00 H new ATOM 0 HG LEU A 306 19.966 7.021 7.660 1.00 0.00 H new ATOM 0 HD11 LEU A 306 19.553 7.524 5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 306 20.335 5.945 5.489 1.00 0.00 H new ATOM 0 HD13 LEU A 306 18.596 6.028 5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 306 18.144 8.523 6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 306 17.023 7.141 6.936 1.00 0.00 H new ATOM 0 HD23 LEU A 306 17.784 7.710 8.440 1.00 0.00 H new ATOM 998 N GLU A 307 18.678 2.203 6.594 1.00 0.00 N ATOM 999 CA GLU A 307 19.073 0.779 6.647 1.00 0.00 C ATOM 1000 C GLU A 307 20.496 0.574 7.204 1.00 0.00 C ATOM 1001 O GLU A 307 21.444 1.243 6.727 1.00 0.00 O ATOM 1002 CB GLU A 307 18.950 0.149 5.246 1.00 0.00 C ATOM 1003 CG GLU A 307 17.510 0.046 4.714 1.00 0.00 C ATOM 1004 CD GLU A 307 16.643 -0.946 5.523 1.00 0.00 C ATOM 1005 OE1 GLU A 307 16.872 -2.179 5.434 1.00 0.00 O ATOM 1006 OE2 GLU A 307 15.699 -0.515 6.232 1.00 0.00 O ATOM 1007 OXT GLU A 307 20.657 -0.260 8.124 1.00 0.00 O ATOM 0 H GLU A 307 19.009 2.666 5.748 1.00 0.00 H new ATOM 0 HA GLU A 307 18.392 0.281 7.337 1.00 0.00 H new ATOM 0 HB2 GLU A 307 19.541 0.737 4.544 1.00 0.00 H new ATOM 0 HB3 GLU A 307 19.386 -0.850 5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 307 17.046 1.032 4.740 1.00 0.00 H new ATOM 0 HG3 GLU A 307 17.534 -0.267 3.670 1.00 0.00 H new TER 1014 GLU A 307 ATOM 1015 N ALA B 1 -12.405 4.981 1.196 1.00 0.00 N ATOM 1016 CA ALA B 1 -11.050 4.387 1.322 1.00 0.00 C ATOM 1017 C ALA B 1 -10.052 5.187 0.479 1.00 0.00 C ATOM 1018 O ALA B 1 -10.156 5.182 -0.751 1.00 0.00 O ATOM 1019 CB ALA B 1 -11.048 2.897 0.916 1.00 0.00 C ATOM 0 H1 ALA B 1 -13.121 4.229 1.254 1.00 0.00 H new ATOM 0 H2 ALA B 1 -12.557 5.664 1.965 1.00 0.00 H new ATOM 0 H3 ALA B 1 -12.487 5.467 0.280 1.00 0.00 H new ATOM 0 HA ALA B 1 -10.747 4.437 2.368 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -10.041 2.493 1.020 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -11.730 2.343 1.562 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -11.372 2.802 -0.120 1.00 0.00 H new ATOM 1027 N ARG B 2 -9.095 5.893 1.105 1.00 0.00 N ATOM 1028 CA ARG B 2 -8.037 6.604 0.362 1.00 0.00 C ATOM 1029 C ARG B 2 -7.033 5.632 -0.264 1.00 0.00 C ATOM 1030 O ARG B 2 -6.786 4.539 0.254 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.286 7.627 1.232 1.00 0.00 C ATOM 1032 CG ARG B 2 -8.104 8.903 1.468 1.00 0.00 C ATOM 1033 CD ARG B 2 -7.270 9.962 2.202 1.00 0.00 C ATOM 1034 NE ARG B 2 -8.014 11.225 2.357 1.00 0.00 N ATOM 1035 CZ ARG B 2 -8.067 12.233 1.490 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -7.441 12.200 0.331 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -8.767 13.308 1.783 1.00 0.00 N ATOM 0 H ARG B 2 -9.031 5.987 2.119 1.00 0.00 H new ATOM 0 HA ARG B 2 -8.550 7.147 -0.432 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -7.040 7.173 2.192 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.343 7.887 0.751 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -8.446 9.302 0.513 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -8.994 8.666 2.052 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -6.984 9.585 3.184 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.348 10.147 1.650 1.00 0.00 H new ATOM 0 HE ARG B 2 -8.545 11.338 3.221 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -6.891 11.381 0.071 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -7.506 12.993 -0.307 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -9.265 13.366 2.671 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -8.811 14.084 1.122 1.00 0.00 H new ATOM 1051 N THR B 3 -6.427 6.084 -1.362 1.00 0.00 N ATOM 1052 CA THR B 3 -5.420 5.380 -2.164 1.00 0.00 C ATOM 1053 C THR B 3 -4.337 6.355 -2.601 1.00 0.00 C ATOM 1054 O THR B 3 -4.591 7.544 -2.797 1.00 0.00 O ATOM 1055 CB THR B 3 -6.045 4.699 -3.390 1.00 0.00 C ATOM 1056 OG1 THR B 3 -6.929 5.571 -4.064 1.00 0.00 O ATOM 1057 CG2 THR B 3 -6.797 3.426 -3.008 1.00 0.00 C ATOM 0 H THR B 3 -6.637 7.008 -1.740 1.00 0.00 H new ATOM 0 HA THR B 3 -4.980 4.600 -1.543 1.00 0.00 H new ATOM 0 HB THR B 3 -5.221 4.436 -4.053 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.430 5.070 -4.741 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.225 2.974 -3.903 1.00 0.00 H new ATOM 0 HG22 THR B 3 -6.108 2.723 -2.540 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.596 3.671 -2.308 1.00 0.00 H new HETATM 1065 N M3L B 4 -3.123 5.829 -2.752 1.00 0.00 N HETATM 1066 CA M3L B 4 -1.942 6.537 -3.278 1.00 0.00 C HETATM 1067 CB M3L B 4 -1.238 7.325 -2.143 1.00 0.00 C HETATM 1068 CG M3L B 4 -0.443 6.418 -1.192 1.00 0.00 C HETATM 1069 CD M3L B 4 0.312 7.173 -0.095 1.00 0.00 C HETATM 1070 CE M3L B 4 1.326 6.195 0.545 1.00 0.00 C HETATM 1071 NZ M3L B 4 2.044 6.701 1.728 1.00 0.00 N HETATM 1072 C M3L B 4 -0.988 5.587 -4.017 1.00 0.00 C HETATM 1073 O M3L B 4 -1.166 4.370 -4.019 1.00 0.00 O HETATM 1074 CM1 M3L B 4 2.976 5.664 2.161 1.00 0.00 C HETATM 1075 CM2 M3L B 4 1.140 6.968 2.845 1.00 0.00 C HETATM 1076 CM3 M3L B 4 2.818 7.902 1.423 1.00 0.00 C HETATM 0 HM33 M3L B 4 3.552 7.675 0.650 1.00 0.00 H new HETATM 0 HM32 M3L B 4 2.149 8.686 1.069 1.00 0.00 H new HETATM 0 HM31 M3L B 4 3.332 8.242 2.322 1.00 0.00 H new HETATM 0 HM23 M3L B 4 0.405 7.716 2.548 1.00 0.00 H new HETATM 0 HM22 M3L B 4 0.628 6.048 3.126 1.00 0.00 H new HETATM 0 HM21 M3L B 4 1.712 7.339 3.695 1.00 0.00 H new HETATM 0 HM13 M3L B 4 2.422 4.759 2.413 1.00 0.00 H new HETATM 0 HM12 M3L B 4 3.679 5.447 1.356 1.00 0.00 H new HETATM 0 HM11 M3L B 4 3.524 6.010 3.037 1.00 0.00 H new HETATM 0 HG3 M3L B 4 -1.128 5.710 -0.726 1.00 0.00 H new HETATM 0 HG2 M3L B 4 0.271 5.835 -1.774 1.00 0.00 H new HETATM 0 HE3 M3L B 4 0.797 5.285 0.826 1.00 0.00 H new HETATM 0 HE2 M3L B 4 2.060 5.916 -0.211 1.00 0.00 H new HETATM 0 HD3 M3L B 4 0.828 8.038 -0.513 1.00 0.00 H new HETATM 0 HD2 M3L B 4 -0.382 7.548 0.657 1.00 0.00 H new HETATM 0 HB3 M3L B 4 -0.565 8.062 -2.582 1.00 0.00 H new HETATM 0 HB2 M3L B 4 -1.985 7.876 -1.572 1.00 0.00 H new HETATM 0 HA M3L B 4 -2.277 7.260 -4.022 1.00 0.00 H new ATOM 1096 N GLN B 5 0.065 6.166 -4.588 1.00 0.00 N ATOM 1097 CA GLN B 5 1.177 5.463 -5.223 1.00 0.00 C ATOM 1098 C GLN B 5 2.493 6.124 -4.790 1.00 0.00 C ATOM 1099 O GLN B 5 2.550 7.351 -4.649 1.00 0.00 O ATOM 1100 CB GLN B 5 1.034 5.508 -6.756 1.00 0.00 C ATOM 1101 CG GLN B 5 -0.206 4.762 -7.281 1.00 0.00 C ATOM 1102 CD GLN B 5 -0.365 4.822 -8.805 1.00 0.00 C ATOM 1103 OE1 GLN B 5 0.462 5.340 -9.549 1.00 0.00 O ATOM 1104 NE2 GLN B 5 -1.456 4.306 -9.337 1.00 0.00 N ATOM 0 H GLN B 5 0.171 7.180 -4.622 1.00 0.00 H new ATOM 0 HA GLN B 5 1.173 4.418 -4.914 1.00 0.00 H new ATOM 0 HB2 GLN B 5 0.985 6.548 -7.078 1.00 0.00 H new ATOM 0 HB3 GLN B 5 1.926 5.076 -7.209 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -0.149 3.718 -6.972 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -1.097 5.184 -6.815 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -2.158 3.870 -8.739 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -1.598 4.343 -10.346 1.00 0.00 H new ATOM 1113 N THR B 6 3.549 5.321 -4.597 1.00 0.00 N ATOM 1114 CA THR B 6 4.892 5.786 -4.213 1.00 0.00 C ATOM 1115 C THR B 6 5.946 5.228 -5.165 1.00 0.00 C ATOM 1116 O THR B 6 5.781 4.145 -5.730 1.00 0.00 O ATOM 1117 CB THR B 6 5.234 5.430 -2.758 1.00 0.00 C ATOM 1118 OG1 THR B 6 5.243 4.033 -2.587 1.00 0.00 O ATOM 1119 CG2 THR B 6 4.251 6.039 -1.757 1.00 0.00 C ATOM 0 H THR B 6 3.493 4.308 -4.706 1.00 0.00 H new ATOM 0 HA THR B 6 4.891 6.873 -4.287 1.00 0.00 H new ATOM 0 HB THR B 6 6.222 5.847 -2.561 1.00 0.00 H new ATOM 0 HG1 THR B 6 5.883 3.794 -1.885 1.00 0.00 H new ATOM 0 HG21 THR B 6 4.540 5.756 -0.745 1.00 0.00 H new ATOM 0 HG22 THR B 6 4.265 7.125 -1.848 1.00 0.00 H new ATOM 0 HG23 THR B 6 3.246 5.671 -1.964 1.00 0.00 H new ATOM 1127 N ALA B 7 7.056 5.949 -5.320 1.00 0.00 N ATOM 1128 CA ALA B 7 8.243 5.459 -6.021 1.00 0.00 C ATOM 1129 C ALA B 7 9.106 4.601 -5.074 1.00 0.00 C ATOM 1130 O ALA B 7 9.414 5.024 -3.954 1.00 0.00 O ATOM 1131 CB ALA B 7 9.018 6.662 -6.577 1.00 0.00 C ATOM 0 H ALA B 7 7.158 6.898 -4.960 1.00 0.00 H new ATOM 0 HA ALA B 7 7.954 4.818 -6.854 1.00 0.00 H new ATOM 0 HB1 ALA B 7 9.906 6.311 -7.103 1.00 0.00 H new ATOM 0 HB2 ALA B 7 8.383 7.216 -7.268 1.00 0.00 H new ATOM 0 HB3 ALA B 7 9.316 7.314 -5.756 1.00 0.00 H new ATOM 1137 N ARG B 8 9.505 3.405 -5.529 1.00 0.00 N ATOM 1138 CA ARG B 8 10.438 2.526 -4.806 1.00 0.00 C ATOM 1139 C ARG B 8 11.901 2.993 -4.973 1.00 0.00 C ATOM 1140 O ARG B 8 12.174 4.043 -5.564 1.00 0.00 O ATOM 1141 CB ARG B 8 10.206 1.052 -5.209 1.00 0.00 C ATOM 1142 CG ARG B 8 8.804 0.571 -4.793 1.00 0.00 C ATOM 1143 CD ARG B 8 8.682 -0.960 -4.772 1.00 0.00 C ATOM 1144 NE ARG B 8 8.739 -1.549 -6.122 1.00 0.00 N ATOM 1145 CZ ARG B 8 9.319 -2.696 -6.465 1.00 0.00 C ATOM 1146 NH1 ARG B 8 9.930 -3.467 -5.587 1.00 0.00 N ATOM 1147 NH2 ARG B 8 9.289 -3.095 -7.717 1.00 0.00 N ATOM 0 H ARG B 8 9.187 3.016 -6.417 1.00 0.00 H new ATOM 0 HA ARG B 8 10.235 2.593 -3.737 1.00 0.00 H new ATOM 0 HB2 ARG B 8 10.324 0.945 -6.287 1.00 0.00 H new ATOM 0 HB3 ARG B 8 10.962 0.422 -4.741 1.00 0.00 H new ATOM 0 HG2 ARG B 8 8.569 0.963 -3.804 1.00 0.00 H new ATOM 0 HG3 ARG B 8 8.065 0.980 -5.482 1.00 0.00 H new ATOM 0 HD2 ARG B 8 9.484 -1.377 -4.163 1.00 0.00 H new ATOM 0 HD3 ARG B 8 7.742 -1.240 -4.296 1.00 0.00 H new ATOM 0 HE ARG B 8 8.287 -1.023 -6.870 1.00 0.00 H new ATOM 0 HH11 ARG B 8 9.969 -3.191 -4.606 1.00 0.00 H new ATOM 0 HH12 ARG B 8 10.363 -4.340 -5.889 1.00 0.00 H new ATOM 0 HH21 ARG B 8 8.822 -2.526 -8.423 1.00 0.00 H new ATOM 0 HH22 ARG B 8 9.733 -3.974 -7.983 1.00 0.00 H new ATOM 1161 N LYS B 9 12.847 2.233 -4.412 1.00 0.00 N ATOM 1162 CA LYS B 9 14.278 2.588 -4.341 1.00 0.00 C ATOM 1163 C LYS B 9 15.218 1.365 -4.462 1.00 0.00 C ATOM 1164 O LYS B 9 16.148 1.185 -3.667 1.00 0.00 O ATOM 1165 CB LYS B 9 14.547 3.501 -3.120 1.00 0.00 C ATOM 1166 CG LYS B 9 14.214 2.928 -1.727 1.00 0.00 C ATOM 1167 CD LYS B 9 12.781 3.227 -1.258 1.00 0.00 C ATOM 1168 CE LYS B 9 12.600 2.772 0.198 1.00 0.00 C ATOM 1169 NZ LYS B 9 11.249 3.106 0.721 1.00 0.00 N ATOM 0 H LYS B 9 12.639 1.331 -3.983 1.00 0.00 H new ATOM 0 HA LYS B 9 14.529 3.176 -5.224 1.00 0.00 H new ATOM 0 HB2 LYS B 9 15.602 3.776 -3.129 1.00 0.00 H new ATOM 0 HB3 LYS B 9 13.977 4.420 -3.253 1.00 0.00 H new ATOM 0 HG2 LYS B 9 14.363 1.848 -1.744 1.00 0.00 H new ATOM 0 HG3 LYS B 9 14.916 3.335 -1.000 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.577 4.294 -1.342 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.065 2.714 -1.900 1.00 0.00 H new ATOM 0 HE2 LYS B 9 12.759 1.696 0.264 1.00 0.00 H new ATOM 0 HE3 LYS B 9 13.358 3.245 0.823 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 11.168 2.782 1.706 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 11.106 4.135 0.682 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 10.526 2.634 0.141 1.00 0.00 H new ATOM 1183 N SER B 10 14.953 0.505 -5.456 1.00 0.00 N ATOM 1184 CA SER B 10 15.773 -0.674 -5.816 1.00 0.00 C ATOM 1185 C SER B 10 17.230 -0.334 -6.169 1.00 0.00 C ATOM 1186 O SER B 10 17.467 0.658 -6.898 1.00 0.00 O ATOM 1187 CB SER B 10 15.109 -1.457 -6.955 1.00 0.00 C ATOM 1188 OG SER B 10 14.830 -0.603 -8.054 1.00 0.00 O ATOM 1189 OXT SER B 10 18.134 -1.077 -5.722 1.00 0.00 O ATOM 0 H SER B 10 14.135 0.610 -6.056 1.00 0.00 H new ATOM 0 HA SER B 10 15.821 -1.295 -4.922 1.00 0.00 H new ATOM 0 HB2 SER B 10 15.763 -2.268 -7.275 1.00 0.00 H new ATOM 0 HB3 SER B 10 14.185 -1.914 -6.599 1.00 0.00 H new ATOM 0 HG SER B 10 14.408 -1.120 -8.772 1.00 0.00 H new TER 1195 SER B 10 HETATM 1196 ZN ZN A 501 -7.407 -1.267 9.727 1.00 0.00 ZN