USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 465 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 GLN : amide:sc=-0.00636 X(o=1.6,f=1.4) USER MOD Set 1.2: A 27 TYR OH : rot 140:sc= 1.31 USER MOD Set 1.3: A 62 HIS : no HD1:sc= 0.247 K(o=1.6,f=-5.1!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 MET CE :methyl -176:sc= 0 (180deg=-0.0161) USER MOD Single : A 34 ASN : amide:sc= 0.154 K(o=0.15,f=-1.8!) USER MOD Single : A 38 ASN : amide:sc= -0.514 K(o=-0.51,f=-5.9!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl 163:sc= 0 (180deg=-0.609) USER MOD Single : A 47 MET CE :methyl 166:sc= -3.56! (180deg=-4.24!) USER MOD Single : A 50 GLN : amide:sc= -0.0798 X(o=-0.08,f=-0.45) USER MOD Single : A 59 ASN : amide:sc= -0.0736 X(o=-0.074,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0.128 USER MOD Single : A 64 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.037) USER MOD Single : A 68 GLN : amide:sc= -0.0942 K(o=-0.094,f=-0.92) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N GLN A 13 -0.390 3.561 -26.005 1.00 0.00 N ATOM 146 CA GLN A 13 -1.598 3.658 -26.815 1.00 0.00 C ATOM 147 C GLN A 13 -1.433 4.700 -27.917 1.00 0.00 C ATOM 148 O GLN A 13 -0.543 5.549 -27.856 1.00 0.00 O ATOM 149 CB GLN A 13 -2.799 4.013 -25.937 1.00 0.00 C ATOM 150 CG GLN A 13 -2.781 5.447 -25.433 1.00 0.00 C ATOM 151 CD GLN A 13 -3.216 5.562 -23.985 1.00 0.00 C ATOM 152 OE1 GLN A 13 -2.393 5.500 -23.071 1.00 0.00 O ATOM 153 NE2 GLN A 13 -4.515 5.732 -23.768 1.00 0.00 N ATOM 0 HA GLN A 13 -1.771 2.688 -27.281 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.715 3.847 -26.504 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.827 3.337 -25.083 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.775 5.853 -25.540 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.438 6.055 -26.055 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.162 5.778 -24.555 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.866 5.817 -22.814 1.00 0.00 H new ATOM 162 N THR A 14 -2.297 4.630 -28.926 1.00 0.00 N ATOM 163 CA THR A 14 -2.246 5.566 -30.042 1.00 0.00 C ATOM 164 C THR A 14 -3.423 6.533 -30.002 1.00 0.00 C ATOM 165 O THR A 14 -4.441 6.262 -29.365 1.00 0.00 O ATOM 166 CB THR A 14 -2.247 4.828 -31.394 1.00 0.00 C ATOM 167 OG1 THR A 14 -3.546 4.284 -31.654 1.00 0.00 O ATOM 168 CG2 THR A 14 -1.213 3.712 -31.402 1.00 0.00 C ATOM 0 H THR A 14 -3.040 3.935 -28.993 1.00 0.00 H new ATOM 0 HA THR A 14 -1.316 6.126 -29.943 1.00 0.00 H new ATOM 0 HB THR A 14 -1.991 5.544 -32.174 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.539 3.818 -32.516 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.232 3.205 -32.367 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.222 4.133 -31.233 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.443 2.997 -30.612 1.00 0.00 H new ATOM 176 N VAL A 15 -3.279 7.662 -30.689 1.00 0.00 N ATOM 177 CA VAL A 15 -4.332 8.670 -30.734 1.00 0.00 C ATOM 178 C VAL A 15 -5.667 8.051 -31.134 1.00 0.00 C ATOM 179 O VAL A 15 -6.714 8.407 -30.594 1.00 0.00 O ATOM 180 CB VAL A 15 -3.985 9.800 -31.721 1.00 0.00 C ATOM 181 CG1 VAL A 15 -5.114 10.817 -31.786 1.00 0.00 C ATOM 182 CG2 VAL A 15 -2.676 10.468 -31.328 1.00 0.00 C ATOM 0 H VAL A 15 -2.443 7.902 -31.222 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.415 9.088 -29.731 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.861 9.367 -32.713 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.851 11.608 -32.488 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.028 10.325 -32.119 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.273 11.248 -30.797 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.447 11.264 -32.037 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.769 10.889 -30.327 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.874 9.730 -31.339 1.00 0.00 H new ATOM 192 N GLY A 16 -5.622 7.123 -32.084 1.00 0.00 N ATOM 193 CA GLY A 16 -6.835 6.469 -32.540 1.00 0.00 C ATOM 194 C GLY A 16 -7.555 5.739 -31.424 1.00 0.00 C ATOM 195 O GLY A 16 -8.738 5.974 -31.183 1.00 0.00 O ATOM 0 H GLY A 16 -4.768 6.812 -32.546 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.504 7.212 -32.974 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.587 5.762 -33.332 1.00 0.00 H new ATOM 199 N GLN A 17 -6.839 4.849 -30.744 1.00 0.00 N ATOM 200 CA GLN A 17 -7.419 4.080 -29.649 1.00 0.00 C ATOM 201 C GLN A 17 -7.771 4.986 -28.474 1.00 0.00 C ATOM 202 O GLN A 17 -8.644 4.663 -27.668 1.00 0.00 O ATOM 203 CB GLN A 17 -6.448 2.989 -29.194 1.00 0.00 C ATOM 204 CG GLN A 17 -6.387 1.797 -30.135 1.00 0.00 C ATOM 205 CD GLN A 17 -5.903 0.535 -29.448 1.00 0.00 C ATOM 206 OE1 GLN A 17 -6.553 0.022 -28.537 1.00 0.00 O ATOM 207 NE2 GLN A 17 -4.756 0.027 -29.883 1.00 0.00 N ATOM 0 H GLN A 17 -5.858 4.643 -30.932 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.335 3.613 -30.011 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.451 3.418 -29.100 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.741 2.644 -28.203 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.377 1.620 -30.556 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.724 2.030 -30.968 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.250 0.485 -30.641 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.381 -0.822 -29.459 1.00 0.00 H new ATOM 216 N TRP A 18 -7.086 6.120 -28.382 1.00 0.00 N ATOM 217 CA TRP A 18 -7.327 7.073 -27.305 1.00 0.00 C ATOM 218 C TRP A 18 -8.532 7.954 -27.616 1.00 0.00 C ATOM 219 O TRP A 18 -9.154 8.514 -26.712 1.00 0.00 O ATOM 220 CB TRP A 18 -6.089 7.943 -27.079 1.00 0.00 C ATOM 221 CG TRP A 18 -6.293 9.010 -26.047 1.00 0.00 C ATOM 222 CD1 TRP A 18 -6.318 8.846 -24.692 1.00 0.00 C ATOM 223 CD2 TRP A 18 -6.503 10.406 -26.287 1.00 0.00 C ATOM 224 NE1 TRP A 18 -6.530 10.055 -24.075 1.00 0.00 N ATOM 225 CE2 TRP A 18 -6.646 11.028 -25.032 1.00 0.00 C ATOM 226 CE3 TRP A 18 -6.581 11.191 -27.441 1.00 0.00 C ATOM 227 CZ2 TRP A 18 -6.864 12.397 -24.900 1.00 0.00 C ATOM 228 CZ3 TRP A 18 -6.798 12.550 -27.308 1.00 0.00 C ATOM 229 CH2 TRP A 18 -6.937 13.142 -26.046 1.00 0.00 C ATOM 0 H TRP A 18 -6.359 6.402 -29.040 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.538 6.509 -26.396 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.258 7.307 -26.774 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.805 8.409 -28.022 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.190 7.904 -24.180 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -6.591 10.204 -23.068 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -6.474 10.744 -28.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -6.972 12.855 -23.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.861 13.166 -28.193 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -7.105 14.207 -25.976 1.00 0.00 H new ATOM 240 N LEU A 19 -8.858 8.072 -28.899 1.00 0.00 N ATOM 241 CA LEU A 19 -9.990 8.885 -29.329 1.00 0.00 C ATOM 242 C LEU A 19 -11.295 8.102 -29.220 1.00 0.00 C ATOM 243 O LEU A 19 -12.333 8.656 -28.860 1.00 0.00 O ATOM 244 CB LEU A 19 -9.785 9.358 -30.769 1.00 0.00 C ATOM 245 CG LEU A 19 -8.851 10.555 -30.955 1.00 0.00 C ATOM 246 CD1 LEU A 19 -8.343 10.617 -32.387 1.00 0.00 C ATOM 247 CD2 LEU A 19 -9.561 11.848 -30.582 1.00 0.00 C ATOM 0 H LEU A 19 -8.354 7.615 -29.659 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.053 9.753 -28.673 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.395 8.524 -31.352 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.758 9.613 -31.189 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.995 10.431 -30.292 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.680 11.475 -32.501 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.797 9.703 -32.619 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.188 10.718 -33.069 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.882 12.689 -30.720 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.436 11.980 -31.219 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.875 11.803 -29.539 1.00 0.00 H new ATOM 259 N GLU A 20 -11.233 6.811 -29.531 1.00 0.00 N ATOM 260 CA GLU A 20 -12.410 5.953 -29.466 1.00 0.00 C ATOM 261 C GLU A 20 -12.882 5.785 -28.025 1.00 0.00 C ATOM 262 O GLU A 20 -14.080 5.823 -27.745 1.00 0.00 O ATOM 263 CB GLU A 20 -12.104 4.584 -30.077 1.00 0.00 C ATOM 264 CG GLU A 20 -10.910 3.888 -29.445 1.00 0.00 C ATOM 265 CD GLU A 20 -10.583 2.568 -30.115 1.00 0.00 C ATOM 266 OE1 GLU A 20 -10.755 2.468 -31.347 1.00 0.00 O ATOM 267 OE2 GLU A 20 -10.153 1.634 -29.405 1.00 0.00 O ATOM 0 H GLU A 20 -10.381 6.337 -29.830 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.207 6.428 -30.038 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.982 3.946 -29.975 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.920 4.705 -31.145 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.041 4.544 -29.499 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.113 3.714 -28.388 1.00 0.00 H new ATOM 274 N SER A 21 -11.931 5.599 -27.115 1.00 0.00 N ATOM 275 CA SER A 21 -12.249 5.420 -25.703 1.00 0.00 C ATOM 276 C SER A 21 -13.160 6.539 -25.206 1.00 0.00 C ATOM 277 O SER A 21 -14.297 6.295 -24.802 1.00 0.00 O ATOM 278 CB SER A 21 -10.967 5.384 -24.870 1.00 0.00 C ATOM 279 OG SER A 21 -11.027 4.367 -23.885 1.00 0.00 O ATOM 0 H SER A 21 -10.934 5.568 -27.330 1.00 0.00 H new ATOM 0 HA SER A 21 -12.773 4.471 -25.591 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.111 5.213 -25.522 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.814 6.351 -24.390 1.00 0.00 H new ATOM 0 HG SER A 21 -10.195 4.364 -23.367 1.00 0.00 H new ATOM 285 N ILE A 22 -12.651 7.766 -25.239 1.00 0.00 N ATOM 286 CA ILE A 22 -13.418 8.922 -24.793 1.00 0.00 C ATOM 287 C ILE A 22 -14.767 8.994 -25.501 1.00 0.00 C ATOM 288 O ILE A 22 -15.758 9.442 -24.927 1.00 0.00 O ATOM 289 CB ILE A 22 -12.652 10.235 -25.039 1.00 0.00 C ATOM 290 CG1 ILE A 22 -12.171 10.306 -26.490 1.00 0.00 C ATOM 291 CG2 ILE A 22 -11.477 10.351 -24.080 1.00 0.00 C ATOM 292 CD1 ILE A 22 -11.438 11.587 -26.822 1.00 0.00 C ATOM 0 H ILE A 22 -11.711 7.985 -25.570 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.578 8.799 -23.722 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.327 11.071 -24.858 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.514 9.459 -26.688 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.029 10.206 -27.154 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.946 11.284 -24.267 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.843 10.341 -23.053 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.799 9.511 -24.232 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.126 11.568 -27.866 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.099 12.438 -26.656 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.560 11.680 -26.183 1.00 0.00 H new ATOM 304 N GLY A 23 -14.797 8.546 -26.753 1.00 0.00 N ATOM 305 CA GLY A 23 -16.030 8.566 -27.518 1.00 0.00 C ATOM 306 C GLY A 23 -16.077 9.710 -28.511 1.00 0.00 C ATOM 307 O GLY A 23 -17.096 10.390 -28.639 1.00 0.00 O ATOM 0 H GLY A 23 -13.990 8.170 -27.250 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.139 7.621 -28.051 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.876 8.646 -26.836 1.00 0.00 H new ATOM 311 N LEU A 24 -14.971 9.926 -29.216 1.00 0.00 N ATOM 312 CA LEU A 24 -14.889 10.998 -30.202 1.00 0.00 C ATOM 313 C LEU A 24 -13.927 10.630 -31.327 1.00 0.00 C ATOM 314 O LEU A 24 -12.866 11.233 -31.491 1.00 0.00 O ATOM 315 CB LEU A 24 -14.439 12.299 -29.535 1.00 0.00 C ATOM 316 CG LEU A 24 -15.532 13.106 -28.833 1.00 0.00 C ATOM 317 CD1 LEU A 24 -14.917 14.141 -27.904 1.00 0.00 C ATOM 318 CD2 LEU A 24 -16.439 13.776 -29.855 1.00 0.00 C ATOM 0 H LEU A 24 -14.119 9.373 -29.123 1.00 0.00 H new ATOM 0 HA LEU A 24 -15.881 11.142 -30.630 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.665 12.061 -28.805 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -13.978 12.932 -30.293 1.00 0.00 H new ATOM 0 HG LEU A 24 -16.135 12.423 -28.234 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -15.709 14.706 -27.413 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.309 13.639 -27.151 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.291 14.821 -28.481 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -17.211 14.346 -29.338 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -15.850 14.447 -30.480 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -16.907 13.015 -30.480 1.00 0.00 H new ATOM 330 N PRO A 25 -14.305 9.618 -32.122 1.00 0.00 N ATOM 331 CA PRO A 25 -13.490 9.150 -33.247 1.00 0.00 C ATOM 332 C PRO A 25 -13.444 10.159 -34.389 1.00 0.00 C ATOM 333 O PRO A 25 -12.544 10.119 -35.228 1.00 0.00 O ATOM 334 CB PRO A 25 -14.204 7.871 -33.693 1.00 0.00 C ATOM 335 CG PRO A 25 -15.616 8.052 -33.255 1.00 0.00 C ATOM 336 CD PRO A 25 -15.556 8.854 -31.984 1.00 0.00 C ATOM 0 HA PRO A 25 -12.449 8.997 -32.961 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.139 7.737 -34.773 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.758 6.988 -33.235 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.197 8.571 -34.017 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.099 7.089 -33.087 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.419 9.512 -31.883 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.540 8.211 -31.104 1.00 0.00 H new ATOM 344 N GLN A 26 -14.418 11.063 -34.414 1.00 0.00 N ATOM 345 CA GLN A 26 -14.487 12.082 -35.454 1.00 0.00 C ATOM 346 C GLN A 26 -13.221 12.933 -35.468 1.00 0.00 C ATOM 347 O GLN A 26 -12.891 13.556 -36.477 1.00 0.00 O ATOM 348 CB GLN A 26 -15.712 12.974 -35.243 1.00 0.00 C ATOM 349 CG GLN A 26 -15.705 13.713 -33.915 1.00 0.00 C ATOM 350 CD GLN A 26 -17.081 13.792 -33.284 1.00 0.00 C ATOM 351 OE1 GLN A 26 -17.750 12.775 -33.095 1.00 0.00 O ATOM 352 NE2 GLN A 26 -17.513 15.003 -32.954 1.00 0.00 N ATOM 0 H GLN A 26 -15.170 11.110 -33.726 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.574 11.577 -36.416 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -15.766 13.701 -36.053 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.612 12.362 -35.304 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.023 13.212 -33.228 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.321 14.722 -34.067 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -16.926 15.819 -33.128 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -18.432 15.118 -32.526 1.00 0.00 H new ATOM 361 N TYR A 27 -12.516 12.954 -34.342 1.00 0.00 N ATOM 362 CA TYR A 27 -11.288 13.730 -34.224 1.00 0.00 C ATOM 363 C TYR A 27 -10.066 12.863 -34.515 1.00 0.00 C ATOM 364 O TYR A 27 -9.019 13.018 -33.887 1.00 0.00 O ATOM 365 CB TYR A 27 -11.175 14.336 -32.824 1.00 0.00 C ATOM 366 CG TYR A 27 -12.359 15.194 -32.439 1.00 0.00 C ATOM 367 CD1 TYR A 27 -12.926 16.078 -33.348 1.00 0.00 C ATOM 368 CD2 TYR A 27 -12.910 15.120 -31.165 1.00 0.00 C ATOM 369 CE1 TYR A 27 -14.007 16.865 -33.000 1.00 0.00 C ATOM 370 CE2 TYR A 27 -13.992 15.902 -30.809 1.00 0.00 C ATOM 371 CZ TYR A 27 -14.537 16.773 -31.729 1.00 0.00 C ATOM 372 OH TYR A 27 -15.614 17.553 -31.379 1.00 0.00 O ATOM 0 H TYR A 27 -12.774 12.442 -33.498 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.324 14.534 -34.959 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.068 13.531 -32.096 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.268 14.938 -32.770 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.515 16.151 -34.344 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.485 14.440 -30.441 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.435 17.548 -33.719 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -14.409 15.832 -29.815 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.234 17.028 -30.832 1.00 0.00 H new ATOM 382 N GLU A 28 -10.209 11.952 -35.472 1.00 0.00 N ATOM 383 CA GLU A 28 -9.118 11.061 -35.847 1.00 0.00 C ATOM 384 C GLU A 28 -8.225 11.707 -36.902 1.00 0.00 C ATOM 385 O GLU A 28 -7.004 11.558 -36.873 1.00 0.00 O ATOM 386 CB GLU A 28 -9.671 9.735 -36.374 1.00 0.00 C ATOM 387 CG GLU A 28 -8.611 8.659 -36.546 1.00 0.00 C ATOM 388 CD GLU A 28 -9.156 7.262 -36.319 1.00 0.00 C ATOM 389 OE1 GLU A 28 -10.388 7.084 -36.413 1.00 0.00 O ATOM 390 OE2 GLU A 28 -8.350 6.348 -36.045 1.00 0.00 O ATOM 0 H GLU A 28 -11.069 11.812 -36.002 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.519 10.869 -34.957 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.437 9.372 -35.689 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.158 9.910 -37.333 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.193 8.723 -37.551 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.794 8.844 -35.849 1.00 0.00 H new ATOM 397 N ASN A 29 -8.844 12.427 -37.832 1.00 0.00 N ATOM 398 CA ASN A 29 -8.107 13.096 -38.897 1.00 0.00 C ATOM 399 C ASN A 29 -7.732 14.518 -38.490 1.00 0.00 C ATOM 400 O ASN A 29 -6.749 15.077 -38.977 1.00 0.00 O ATOM 401 CB ASN A 29 -8.938 13.124 -40.182 1.00 0.00 C ATOM 402 CG ASN A 29 -8.237 12.438 -41.339 1.00 0.00 C ATOM 403 OD1 ASN A 29 -8.575 11.311 -41.702 1.00 0.00 O ATOM 404 ND2 ASN A 29 -7.256 13.116 -41.923 1.00 0.00 N ATOM 0 H ASN A 29 -9.854 12.562 -37.869 1.00 0.00 H new ATOM 0 HA ASN A 29 -7.190 12.535 -39.077 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.897 12.638 -40.002 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -9.151 14.159 -40.451 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.748 12.705 -42.706 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -7.010 14.048 -41.588 1.00 0.00 H new ATOM 411 N HIS A 30 -8.522 15.098 -37.592 1.00 0.00 N ATOM 412 CA HIS A 30 -8.273 16.454 -37.117 1.00 0.00 C ATOM 413 C HIS A 30 -6.864 16.580 -36.546 1.00 0.00 C ATOM 414 O HIS A 30 -6.058 17.380 -37.023 1.00 0.00 O ATOM 415 CB HIS A 30 -9.303 16.842 -36.055 1.00 0.00 C ATOM 416 CG HIS A 30 -10.556 17.434 -36.624 1.00 0.00 C ATOM 417 ND1 HIS A 30 -11.591 16.670 -37.119 1.00 0.00 N ATOM 418 CD2 HIS A 30 -10.937 18.724 -36.774 1.00 0.00 C ATOM 419 CE1 HIS A 30 -12.555 17.465 -37.550 1.00 0.00 C ATOM 420 NE2 HIS A 30 -12.183 18.716 -37.351 1.00 0.00 N ATOM 0 H HIS A 30 -9.340 14.650 -37.179 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.364 17.132 -37.966 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -9.561 15.959 -35.471 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.852 17.558 -35.368 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.367 19.597 -36.492 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.488 17.146 -37.990 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -12.732 19.542 -37.587 1.00 0.00 H new ATOM 428 N LEU A 31 -6.574 15.786 -35.521 1.00 0.00 N ATOM 429 CA LEU A 31 -5.261 15.808 -34.884 1.00 0.00 C ATOM 430 C LEU A 31 -4.180 15.330 -35.847 1.00 0.00 C ATOM 431 O LEU A 31 -3.142 15.973 -36.000 1.00 0.00 O ATOM 432 CB LEU A 31 -5.267 14.933 -33.630 1.00 0.00 C ATOM 433 CG LEU A 31 -6.020 15.494 -32.423 1.00 0.00 C ATOM 434 CD1 LEU A 31 -7.401 14.866 -32.317 1.00 0.00 C ATOM 435 CD2 LEU A 31 -5.227 15.262 -31.145 1.00 0.00 C ATOM 0 H LEU A 31 -7.230 15.119 -35.113 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.039 16.837 -34.601 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.702 13.967 -33.887 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.234 14.749 -33.335 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.141 16.568 -32.562 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.922 15.277 -31.452 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.970 15.083 -33.221 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.302 13.787 -32.201 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.778 15.668 -30.296 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.074 14.192 -31.001 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.260 15.760 -31.221 1.00 0.00 H new ATOM 447 N MET A 32 -4.432 14.198 -36.496 1.00 0.00 N ATOM 448 CA MET A 32 -3.481 13.635 -37.448 1.00 0.00 C ATOM 449 C MET A 32 -3.131 14.650 -38.531 1.00 0.00 C ATOM 450 O MET A 32 -2.052 14.596 -39.121 1.00 0.00 O ATOM 451 CB MET A 32 -4.054 12.368 -38.086 1.00 0.00 C ATOM 452 CG MET A 32 -4.099 11.179 -37.141 1.00 0.00 C ATOM 453 SD MET A 32 -2.566 10.228 -37.147 1.00 0.00 S ATOM 454 CE MET A 32 -2.625 9.481 -35.520 1.00 0.00 C ATOM 0 H MET A 32 -5.286 13.653 -36.380 1.00 0.00 H new ATOM 0 HA MET A 32 -2.570 13.380 -36.906 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.062 12.575 -38.444 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.454 12.107 -38.958 1.00 0.00 H new ATOM 0 HG2 MET A 32 -4.299 11.531 -36.129 1.00 0.00 H new ATOM 0 HG3 MET A 32 -4.927 10.528 -37.422 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.708 8.918 -35.345 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.721 10.261 -34.765 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.481 8.809 -35.459 1.00 0.00 H new ATOM 464 N ALA A 33 -4.050 15.575 -38.789 1.00 0.00 N ATOM 465 CA ALA A 33 -3.837 16.603 -39.800 1.00 0.00 C ATOM 466 C ALA A 33 -3.041 17.774 -39.233 1.00 0.00 C ATOM 467 O ALA A 33 -2.363 18.490 -39.969 1.00 0.00 O ATOM 468 CB ALA A 33 -5.170 17.086 -40.351 1.00 0.00 C ATOM 0 H ALA A 33 -4.949 15.633 -38.311 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.258 16.164 -40.613 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.995 17.854 -41.105 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.702 16.249 -40.802 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.769 17.503 -39.541 1.00 0.00 H new ATOM 474 N ASN A 34 -3.131 17.964 -37.921 1.00 0.00 N ATOM 475 CA ASN A 34 -2.420 19.050 -37.255 1.00 0.00 C ATOM 476 C ASN A 34 -1.092 18.562 -36.685 1.00 0.00 C ATOM 477 O ASN A 34 -0.572 19.127 -35.723 1.00 0.00 O ATOM 478 CB ASN A 34 -3.282 19.642 -36.138 1.00 0.00 C ATOM 479 CG ASN A 34 -4.318 20.617 -36.662 1.00 0.00 C ATOM 480 OD1 ASN A 34 -4.086 21.826 -36.700 1.00 0.00 O ATOM 481 ND2 ASN A 34 -5.469 20.095 -37.069 1.00 0.00 N ATOM 0 H ASN A 34 -3.689 17.380 -37.298 1.00 0.00 H new ATOM 0 HA ASN A 34 -2.214 19.824 -37.994 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.784 18.835 -35.604 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.640 20.150 -35.418 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.204 20.702 -37.431 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.618 19.087 -37.019 1.00 0.00 H new ATOM 488 N GLY A 35 -0.548 17.508 -37.285 1.00 0.00 N ATOM 489 CA GLY A 35 0.715 16.962 -36.824 1.00 0.00 C ATOM 490 C GLY A 35 0.660 16.517 -35.375 1.00 0.00 C ATOM 491 O GLY A 35 1.516 16.888 -34.572 1.00 0.00 O ATOM 0 H GLY A 35 -0.959 17.022 -38.082 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.991 16.114 -37.451 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.496 17.713 -36.941 1.00 0.00 H new ATOM 495 N PHE A 36 -0.351 15.723 -35.040 1.00 0.00 N ATOM 496 CA PHE A 36 -0.516 15.230 -33.677 1.00 0.00 C ATOM 497 C PHE A 36 -0.622 13.708 -33.659 1.00 0.00 C ATOM 498 O PHE A 36 -1.556 13.146 -33.086 1.00 0.00 O ATOM 499 CB PHE A 36 -1.761 15.847 -33.037 1.00 0.00 C ATOM 500 CG PHE A 36 -1.529 17.222 -32.479 1.00 0.00 C ATOM 501 CD1 PHE A 36 -1.012 17.389 -31.204 1.00 0.00 C ATOM 502 CD2 PHE A 36 -1.829 18.348 -33.229 1.00 0.00 C ATOM 503 CE1 PHE A 36 -0.797 18.653 -30.688 1.00 0.00 C ATOM 504 CE2 PHE A 36 -1.616 19.614 -32.718 1.00 0.00 C ATOM 505 CZ PHE A 36 -1.101 19.767 -31.446 1.00 0.00 C ATOM 0 H PHE A 36 -1.068 15.407 -35.693 1.00 0.00 H new ATOM 0 HA PHE A 36 0.363 15.522 -33.102 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.556 15.895 -33.781 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.111 15.193 -32.238 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.774 16.521 -30.607 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.234 18.235 -34.224 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.392 18.770 -29.694 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.852 20.484 -33.313 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.936 20.756 -31.044 1.00 0.00 H new ATOM 515 N ASP A 37 0.342 13.046 -34.290 1.00 0.00 N ATOM 516 CA ASP A 37 0.358 11.589 -34.347 1.00 0.00 C ATOM 517 C ASP A 37 1.255 11.013 -33.255 1.00 0.00 C ATOM 518 O ASP A 37 1.795 9.916 -33.397 1.00 0.00 O ATOM 519 CB ASP A 37 0.837 11.116 -35.720 1.00 0.00 C ATOM 520 CG ASP A 37 2.313 11.384 -35.943 1.00 0.00 C ATOM 521 OD1 ASP A 37 2.682 12.565 -36.114 1.00 0.00 O ATOM 522 OD2 ASP A 37 3.098 10.414 -35.946 1.00 0.00 O ATOM 0 H ASP A 37 1.122 13.495 -34.769 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.659 11.232 -34.183 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.646 10.048 -35.820 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.258 11.617 -36.496 1.00 0.00 H new ATOM 527 N ASN A 38 1.410 11.761 -32.168 1.00 0.00 N ATOM 528 CA ASN A 38 2.243 11.325 -31.053 1.00 0.00 C ATOM 529 C ASN A 38 1.507 11.491 -29.727 1.00 0.00 C ATOM 530 O ASN A 38 1.406 12.597 -29.194 1.00 0.00 O ATOM 531 CB ASN A 38 3.551 12.119 -31.026 1.00 0.00 C ATOM 532 CG ASN A 38 4.592 11.488 -30.121 1.00 0.00 C ATOM 533 OD1 ASN A 38 4.288 10.581 -29.345 1.00 0.00 O ATOM 534 ND2 ASN A 38 5.827 11.967 -30.216 1.00 0.00 N ATOM 0 H ASN A 38 0.970 12.672 -32.035 1.00 0.00 H new ATOM 0 HA ASN A 38 2.470 10.268 -31.193 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.950 12.192 -32.038 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.349 13.136 -30.689 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.569 11.583 -29.632 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.033 12.719 -30.873 1.00 0.00 H new ATOM 541 N VAL A 39 0.995 10.384 -29.198 1.00 0.00 N ATOM 542 CA VAL A 39 0.270 10.406 -27.933 1.00 0.00 C ATOM 543 C VAL A 39 1.165 10.880 -26.794 1.00 0.00 C ATOM 544 O VAL A 39 0.690 11.462 -25.820 1.00 0.00 O ATOM 545 CB VAL A 39 -0.292 9.015 -27.585 1.00 0.00 C ATOM 546 CG1 VAL A 39 -1.208 9.097 -26.373 1.00 0.00 C ATOM 547 CG2 VAL A 39 -1.025 8.423 -28.779 1.00 0.00 C ATOM 0 H VAL A 39 1.069 9.461 -29.626 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.558 11.105 -28.055 1.00 0.00 H new ATOM 0 HB VAL A 39 0.541 8.357 -27.337 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.596 8.105 -26.142 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.647 9.476 -25.518 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.038 9.770 -26.589 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.416 7.440 -28.515 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.850 9.078 -29.061 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.336 8.326 -29.618 1.00 0.00 H new ATOM 557 N GLN A 40 2.464 10.626 -26.925 1.00 0.00 N ATOM 558 CA GLN A 40 3.426 11.028 -25.905 1.00 0.00 C ATOM 559 C GLN A 40 3.515 12.547 -25.809 1.00 0.00 C ATOM 560 O GLN A 40 3.760 13.098 -24.736 1.00 0.00 O ATOM 561 CB GLN A 40 4.805 10.443 -26.217 1.00 0.00 C ATOM 562 CG GLN A 40 4.828 8.923 -26.248 1.00 0.00 C ATOM 563 CD GLN A 40 6.208 8.355 -25.980 1.00 0.00 C ATOM 564 OE1 GLN A 40 6.697 8.388 -24.851 1.00 0.00 O ATOM 565 NE2 GLN A 40 6.844 7.829 -27.020 1.00 0.00 N ATOM 0 H GLN A 40 2.873 10.145 -27.726 1.00 0.00 H new ATOM 0 HA GLN A 40 3.083 10.641 -24.945 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.142 10.823 -27.181 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.517 10.794 -25.470 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.130 8.538 -25.505 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.480 8.578 -27.222 1.00 0.00 H new ATOM 0 HE21 GLN A 40 6.401 7.823 -27.939 1.00 0.00 H new ATOM 0 HE22 GLN A 40 7.776 7.431 -26.900 1.00 0.00 H new ATOM 574 N PHE A 41 3.316 13.219 -26.938 1.00 0.00 N ATOM 575 CA PHE A 41 3.375 14.676 -26.981 1.00 0.00 C ATOM 576 C PHE A 41 2.325 15.290 -26.061 1.00 0.00 C ATOM 577 O PHE A 41 2.585 16.281 -25.379 1.00 0.00 O ATOM 578 CB PHE A 41 3.169 15.174 -28.413 1.00 0.00 C ATOM 579 CG PHE A 41 4.352 15.916 -28.966 1.00 0.00 C ATOM 580 CD1 PHE A 41 4.620 17.215 -28.566 1.00 0.00 C ATOM 581 CD2 PHE A 41 5.195 15.315 -29.887 1.00 0.00 C ATOM 582 CE1 PHE A 41 5.708 17.900 -29.072 1.00 0.00 C ATOM 583 CE2 PHE A 41 6.284 15.995 -30.396 1.00 0.00 C ATOM 584 CZ PHE A 41 6.541 17.290 -29.990 1.00 0.00 C ATOM 0 H PHE A 41 3.113 12.778 -27.835 1.00 0.00 H new ATOM 0 HA PHE A 41 4.361 14.985 -26.635 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.951 14.322 -29.057 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.296 15.826 -28.440 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.971 17.698 -27.850 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.998 14.304 -30.210 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.907 18.912 -28.750 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.935 15.514 -31.111 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.391 17.824 -30.389 1.00 0.00 H new ATOM 594 N MET A 42 1.137 14.695 -26.048 1.00 0.00 N ATOM 595 CA MET A 42 0.046 15.183 -25.211 1.00 0.00 C ATOM 596 C MET A 42 0.477 15.263 -23.750 1.00 0.00 C ATOM 597 O MET A 42 1.435 14.611 -23.338 1.00 0.00 O ATOM 598 CB MET A 42 -1.175 14.272 -25.346 1.00 0.00 C ATOM 599 CG MET A 42 -2.013 14.558 -26.582 1.00 0.00 C ATOM 600 SD MET A 42 -1.351 13.776 -28.065 1.00 0.00 S ATOM 601 CE MET A 42 -2.861 13.395 -28.950 1.00 0.00 C ATOM 0 H MET A 42 0.905 13.874 -26.607 1.00 0.00 H new ATOM 0 HA MET A 42 -0.219 16.185 -25.549 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.842 13.234 -25.375 1.00 0.00 H new ATOM 0 HB3 MET A 42 -1.800 14.382 -24.460 1.00 0.00 H new ATOM 0 HG2 MET A 42 -3.032 14.208 -26.415 1.00 0.00 H new ATOM 0 HG3 MET A 42 -2.068 15.635 -26.738 1.00 0.00 H new ATOM 0 HE1 MET A 42 -2.629 13.191 -29.995 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.332 12.518 -28.506 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.543 14.243 -28.888 1.00 0.00 H new ATOM 643 N VAL A 46 0.664 21.801 -24.466 1.00 0.00 N ATOM 644 CA VAL A 46 0.309 21.784 -25.880 1.00 0.00 C ATOM 645 C VAL A 46 -1.106 21.255 -26.085 1.00 0.00 C ATOM 646 O VAL A 46 -1.609 20.470 -25.281 1.00 0.00 O ATOM 647 CB VAL A 46 1.291 20.923 -26.695 1.00 0.00 C ATOM 648 CG1 VAL A 46 1.146 19.454 -26.327 1.00 0.00 C ATOM 649 CG2 VAL A 46 1.072 21.132 -28.186 1.00 0.00 C ATOM 0 HA VAL A 46 0.363 22.814 -26.232 1.00 0.00 H new ATOM 0 HB VAL A 46 2.307 21.235 -26.453 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.848 18.861 -26.913 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.357 19.322 -25.266 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.129 19.125 -26.538 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.775 20.516 -28.747 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.052 20.849 -28.447 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.232 22.181 -28.434 1.00 0.00 H new ATOM 659 N MET A 47 -1.743 21.689 -27.168 1.00 0.00 N ATOM 660 CA MET A 47 -3.100 21.256 -27.480 1.00 0.00 C ATOM 661 C MET A 47 -4.079 21.717 -26.405 1.00 0.00 C ATOM 662 O MET A 47 -4.949 20.959 -25.979 1.00 0.00 O ATOM 663 CB MET A 47 -3.155 19.733 -27.617 1.00 0.00 C ATOM 664 CG MET A 47 -4.441 19.225 -28.247 1.00 0.00 C ATOM 665 SD MET A 47 -4.173 18.476 -29.865 1.00 0.00 S ATOM 666 CE MET A 47 -5.825 18.550 -30.551 1.00 0.00 C ATOM 0 H MET A 47 -1.342 22.339 -27.843 1.00 0.00 H new ATOM 0 HA MET A 47 -3.389 21.709 -28.428 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.309 19.400 -28.219 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.041 19.283 -26.631 1.00 0.00 H new ATOM 0 HG2 MET A 47 -4.901 18.493 -27.584 1.00 0.00 H new ATOM 0 HG3 MET A 47 -5.144 20.052 -28.346 1.00 0.00 H new ATOM 0 HE1 MET A 47 -5.783 18.359 -31.623 1.00 0.00 H new ATOM 0 HE2 MET A 47 -6.452 17.797 -30.073 1.00 0.00 H new ATOM 0 HE3 MET A 47 -6.248 19.539 -30.375 1.00 0.00 H new ATOM 676 N GLU A 48 -3.929 22.965 -25.969 1.00 0.00 N ATOM 677 CA GLU A 48 -4.799 23.525 -24.943 1.00 0.00 C ATOM 678 C GLU A 48 -6.184 23.825 -25.508 1.00 0.00 C ATOM 679 O GLU A 48 -6.472 23.523 -26.666 1.00 0.00 O ATOM 680 CB GLU A 48 -4.186 24.801 -24.363 1.00 0.00 C ATOM 681 CG GLU A 48 -2.709 24.669 -24.031 1.00 0.00 C ATOM 682 CD GLU A 48 -2.153 25.903 -23.345 1.00 0.00 C ATOM 683 OE1 GLU A 48 -2.534 26.157 -22.183 1.00 0.00 O ATOM 684 OE2 GLU A 48 -1.338 26.613 -23.970 1.00 0.00 O ATOM 0 H GLU A 48 -3.213 23.606 -26.311 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.902 22.786 -24.148 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.318 25.615 -25.076 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.730 25.077 -23.460 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.561 23.802 -23.387 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.149 24.484 -24.948 1.00 0.00 H new ATOM 691 N ASP A 49 -7.038 24.420 -24.682 1.00 0.00 N ATOM 692 CA ASP A 49 -8.393 24.761 -25.098 1.00 0.00 C ATOM 693 C ASP A 49 -8.377 25.553 -26.402 1.00 0.00 C ATOM 694 O ASP A 49 -9.131 25.255 -27.329 1.00 0.00 O ATOM 695 CB ASP A 49 -9.097 25.568 -24.006 1.00 0.00 C ATOM 696 CG ASP A 49 -10.594 25.661 -24.229 1.00 0.00 C ATOM 697 OD1 ASP A 49 -11.141 24.803 -24.953 1.00 0.00 O ATOM 698 OD2 ASP A 49 -11.218 26.592 -23.679 1.00 0.00 O ATOM 0 H ASP A 49 -6.815 24.676 -23.720 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.941 23.833 -25.263 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.905 25.107 -23.037 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.675 26.572 -23.971 1.00 0.00 H new ATOM 703 N GLN A 50 -7.515 26.563 -26.465 1.00 0.00 N ATOM 704 CA GLN A 50 -7.404 27.398 -27.655 1.00 0.00 C ATOM 705 C GLN A 50 -6.862 26.597 -28.834 1.00 0.00 C ATOM 706 O GLN A 50 -7.330 26.742 -29.963 1.00 0.00 O ATOM 707 CB GLN A 50 -6.496 28.598 -27.378 1.00 0.00 C ATOM 708 CG GLN A 50 -6.951 29.876 -28.064 1.00 0.00 C ATOM 709 CD GLN A 50 -6.804 29.814 -29.571 1.00 0.00 C ATOM 710 OE1 GLN A 50 -5.788 29.348 -30.089 1.00 0.00 O ATOM 711 NE2 GLN A 50 -7.819 30.284 -30.286 1.00 0.00 N ATOM 0 H GLN A 50 -6.884 26.822 -25.707 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.401 27.756 -27.911 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.452 28.769 -26.302 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.484 28.360 -27.705 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.994 30.067 -27.812 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.371 30.716 -27.681 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.642 30.661 -29.816 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.776 30.268 -31.305 1.00 0.00 H new ATOM 720 N ASP A 51 -5.872 25.752 -28.564 1.00 0.00 N ATOM 721 CA ASP A 51 -5.266 24.927 -29.602 1.00 0.00 C ATOM 722 C ASP A 51 -6.295 23.979 -30.212 1.00 0.00 C ATOM 723 O ASP A 51 -6.143 23.529 -31.349 1.00 0.00 O ATOM 724 CB ASP A 51 -4.095 24.128 -29.030 1.00 0.00 C ATOM 725 CG ASP A 51 -3.081 25.010 -28.327 1.00 0.00 C ATOM 726 OD1 ASP A 51 -3.436 25.615 -27.293 1.00 0.00 O ATOM 727 OD2 ASP A 51 -1.933 25.095 -28.811 1.00 0.00 O ATOM 0 H ASP A 51 -5.473 25.621 -27.635 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.896 25.587 -30.386 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.474 23.385 -28.329 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.602 23.584 -29.836 1.00 0.00 H new ATOM 732 N LEU A 52 -7.340 23.679 -29.449 1.00 0.00 N ATOM 733 CA LEU A 52 -8.394 22.783 -29.914 1.00 0.00 C ATOM 734 C LEU A 52 -9.422 23.539 -30.749 1.00 0.00 C ATOM 735 O LEU A 52 -10.117 22.951 -31.578 1.00 0.00 O ATOM 736 CB LEU A 52 -9.081 22.111 -28.723 1.00 0.00 C ATOM 737 CG LEU A 52 -8.281 21.016 -28.017 1.00 0.00 C ATOM 738 CD1 LEU A 52 -8.783 20.822 -26.595 1.00 0.00 C ATOM 739 CD2 LEU A 52 -8.361 19.711 -28.796 1.00 0.00 C ATOM 0 H LEU A 52 -7.481 24.042 -28.506 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.937 22.018 -30.541 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.330 22.880 -27.992 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.022 21.681 -29.067 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.237 21.326 -27.973 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.202 20.039 -26.108 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.673 21.754 -26.040 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.834 20.534 -26.616 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.786 18.943 -28.279 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.402 19.396 -28.872 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.953 19.858 -29.796 1.00 0.00 H new ATOM 751 N LEU A 53 -9.512 24.845 -30.527 1.00 0.00 N ATOM 752 CA LEU A 53 -10.454 25.683 -31.260 1.00 0.00 C ATOM 753 C LEU A 53 -9.831 26.199 -32.554 1.00 0.00 C ATOM 754 O LEU A 53 -10.537 26.509 -33.513 1.00 0.00 O ATOM 755 CB LEU A 53 -10.903 26.861 -30.393 1.00 0.00 C ATOM 756 CG LEU A 53 -11.847 27.863 -31.058 1.00 0.00 C ATOM 757 CD1 LEU A 53 -13.208 27.232 -31.304 1.00 0.00 C ATOM 758 CD2 LEU A 53 -11.983 29.115 -30.204 1.00 0.00 C ATOM 0 H LEU A 53 -8.944 25.347 -29.845 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.322 25.074 -31.513 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.394 26.465 -29.504 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.016 27.397 -30.056 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.423 28.149 -32.021 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -13.866 27.960 -31.778 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.095 26.366 -31.957 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.640 26.917 -30.354 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.659 29.817 -30.693 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.383 28.847 -29.226 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.005 29.579 -30.080 1.00 0.00 H new ATOM 770 N GLU A 54 -8.505 26.284 -32.573 1.00 0.00 N ATOM 771 CA GLU A 54 -7.788 26.761 -33.750 1.00 0.00 C ATOM 772 C GLU A 54 -7.632 25.646 -34.780 1.00 0.00 C ATOM 773 O GLU A 54 -7.623 25.898 -35.986 1.00 0.00 O ATOM 774 CB GLU A 54 -6.411 27.299 -33.353 1.00 0.00 C ATOM 775 CG GLU A 54 -5.409 26.211 -33.007 1.00 0.00 C ATOM 776 CD GLU A 54 -4.046 26.768 -32.644 1.00 0.00 C ATOM 777 OE1 GLU A 54 -3.801 27.962 -32.914 1.00 0.00 O ATOM 778 OE2 GLU A 54 -3.224 26.008 -32.090 1.00 0.00 O ATOM 0 H GLU A 54 -7.906 26.029 -31.788 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.370 27.567 -34.197 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.015 27.899 -34.172 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.523 27.964 -32.496 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.791 25.622 -32.173 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.307 25.533 -33.855 1.00 0.00 H new ATOM 785 N ILE A 55 -7.509 24.415 -34.297 1.00 0.00 N ATOM 786 CA ILE A 55 -7.354 23.262 -35.175 1.00 0.00 C ATOM 787 C ILE A 55 -8.611 23.030 -36.006 1.00 0.00 C ATOM 788 O ILE A 55 -8.550 22.480 -37.104 1.00 0.00 O ATOM 789 CB ILE A 55 -7.037 21.984 -34.376 1.00 0.00 C ATOM 790 CG1 ILE A 55 -8.070 21.781 -33.266 1.00 0.00 C ATOM 791 CG2 ILE A 55 -5.634 22.057 -33.794 1.00 0.00 C ATOM 792 CD1 ILE A 55 -8.047 20.394 -32.664 1.00 0.00 C ATOM 0 H ILE A 55 -7.514 24.190 -33.302 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.518 23.482 -35.839 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.085 21.130 -35.052 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.893 22.513 -32.478 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.065 21.978 -33.666 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.425 21.146 -33.232 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.910 22.159 -34.602 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.560 22.918 -33.130 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.805 20.323 -31.884 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.254 19.657 -33.440 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.065 20.201 -32.233 1.00 0.00 H new ATOM 804 N GLY A 56 -9.753 23.455 -35.473 1.00 0.00 N ATOM 805 CA GLY A 56 -11.010 23.287 -36.179 1.00 0.00 C ATOM 806 C GLY A 56 -12.151 22.921 -35.251 1.00 0.00 C ATOM 807 O GLY A 56 -13.255 23.452 -35.376 1.00 0.00 O ATOM 0 H GLY A 56 -9.830 23.913 -34.565 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.255 24.210 -36.704 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.897 22.510 -36.935 1.00 0.00 H new ATOM 811 N ILE A 57 -11.886 22.011 -34.320 1.00 0.00 N ATOM 812 CA ILE A 57 -12.901 21.575 -33.369 1.00 0.00 C ATOM 813 C ILE A 57 -13.544 22.765 -32.666 1.00 0.00 C ATOM 814 O ILE A 57 -12.920 23.417 -31.827 1.00 0.00 O ATOM 815 CB ILE A 57 -12.309 20.627 -32.310 1.00 0.00 C ATOM 816 CG1 ILE A 57 -11.657 19.417 -32.983 1.00 0.00 C ATOM 817 CG2 ILE A 57 -13.389 20.180 -31.336 1.00 0.00 C ATOM 818 CD1 ILE A 57 -10.973 18.480 -32.012 1.00 0.00 C ATOM 0 H ILE A 57 -10.978 21.562 -34.204 1.00 0.00 H new ATOM 0 HA ILE A 57 -13.660 21.041 -33.941 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.543 21.164 -31.751 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.418 18.864 -33.534 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.927 19.767 -33.713 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -12.955 19.510 -30.594 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.811 21.052 -30.836 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.176 19.657 -31.880 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.534 17.646 -32.559 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.189 19.017 -31.479 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.703 18.100 -31.297 1.00 0.00 H new ATOM 830 N LEU A 58 -14.796 23.044 -33.013 1.00 0.00 N ATOM 831 CA LEU A 58 -15.526 24.156 -32.414 1.00 0.00 C ATOM 832 C LEU A 58 -16.421 23.671 -31.278 1.00 0.00 C ATOM 833 O LEU A 58 -16.745 24.427 -30.364 1.00 0.00 O ATOM 834 CB LEU A 58 -16.369 24.868 -33.474 1.00 0.00 C ATOM 835 CG LEU A 58 -15.652 25.217 -34.778 1.00 0.00 C ATOM 836 CD1 LEU A 58 -16.563 26.024 -35.689 1.00 0.00 C ATOM 837 CD2 LEU A 58 -14.367 25.981 -34.493 1.00 0.00 C ATOM 0 H LEU A 58 -15.326 22.516 -33.706 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.799 24.857 -32.005 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -17.226 24.238 -33.711 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.760 25.788 -33.040 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.393 24.289 -35.287 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -16.035 26.263 -36.612 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -17.454 25.441 -35.921 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.854 26.947 -35.188 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.870 26.221 -35.433 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.602 26.903 -33.961 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.707 25.367 -33.880 1.00 0.00 H new ATOM 849 N ASN A 59 -16.815 22.403 -31.342 1.00 0.00 N ATOM 850 CA ASN A 59 -17.671 21.816 -30.318 1.00 0.00 C ATOM 851 C ASN A 59 -17.093 22.051 -28.925 1.00 0.00 C ATOM 852 O ASN A 59 -16.141 21.386 -28.517 1.00 0.00 O ATOM 853 CB ASN A 59 -17.842 20.316 -30.564 1.00 0.00 C ATOM 854 CG ASN A 59 -19.047 20.006 -31.431 1.00 0.00 C ATOM 855 OD1 ASN A 59 -18.914 19.461 -32.527 1.00 0.00 O ATOM 856 ND2 ASN A 59 -20.232 20.352 -30.941 1.00 0.00 N ATOM 0 H ASN A 59 -16.555 21.763 -32.092 1.00 0.00 H new ATOM 0 HA ASN A 59 -18.646 22.300 -30.375 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.944 19.924 -31.041 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.944 19.803 -29.608 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -21.079 20.168 -31.478 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -20.295 20.802 -30.028 1.00 0.00 H new ATOM 863 N SER A 60 -17.676 23.002 -28.202 1.00 0.00 N ATOM 864 CA SER A 60 -17.217 23.328 -26.856 1.00 0.00 C ATOM 865 C SER A 60 -17.370 22.129 -25.925 1.00 0.00 C ATOM 866 O SER A 60 -16.422 21.726 -25.253 1.00 0.00 O ATOM 867 CB SER A 60 -17.999 24.520 -26.303 1.00 0.00 C ATOM 868 OG SER A 60 -19.190 24.736 -27.040 1.00 0.00 O ATOM 0 H SER A 60 -18.466 23.560 -28.525 1.00 0.00 H new ATOM 0 HA SER A 60 -16.160 23.590 -26.912 1.00 0.00 H new ATOM 0 HB2 SER A 60 -18.243 24.344 -25.255 1.00 0.00 H new ATOM 0 HB3 SER A 60 -17.378 25.415 -26.340 1.00 0.00 H new ATOM 0 HG SER A 60 -19.672 25.502 -26.665 1.00 0.00 H new ATOM 874 N GLY A 61 -18.572 21.562 -25.892 1.00 0.00 N ATOM 875 CA GLY A 61 -18.829 20.415 -25.040 1.00 0.00 C ATOM 876 C GLY A 61 -17.822 19.301 -25.249 1.00 0.00 C ATOM 877 O GLY A 61 -17.553 18.519 -24.337 1.00 0.00 O ATOM 0 H GLY A 61 -19.373 21.876 -26.440 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -18.807 20.729 -23.996 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -19.832 20.036 -25.238 1.00 0.00 H new ATOM 881 N HIS A 62 -17.266 19.227 -26.454 1.00 0.00 N ATOM 882 CA HIS A 62 -16.283 18.200 -26.781 1.00 0.00 C ATOM 883 C HIS A 62 -14.876 18.655 -26.406 1.00 0.00 C ATOM 884 O HIS A 62 -14.082 17.877 -25.878 1.00 0.00 O ATOM 885 CB HIS A 62 -16.343 17.862 -28.271 1.00 0.00 C ATOM 886 CG HIS A 62 -17.548 17.060 -28.655 1.00 0.00 C ATOM 887 ND1 HIS A 62 -17.927 16.851 -29.964 1.00 0.00 N ATOM 888 CD2 HIS A 62 -18.460 16.411 -27.893 1.00 0.00 C ATOM 889 CE1 HIS A 62 -19.021 16.111 -29.991 1.00 0.00 C ATOM 890 NE2 HIS A 62 -19.365 15.830 -28.747 1.00 0.00 N ATOM 0 H HIS A 62 -17.479 19.866 -27.220 1.00 0.00 H new ATOM 0 HA HIS A 62 -16.522 17.307 -26.204 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -16.335 18.788 -28.846 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -15.445 17.308 -28.546 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -18.473 16.360 -26.814 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -19.545 15.790 -30.879 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -20.172 15.272 -28.466 1.00 0.00 H new ATOM 898 N ARG A 63 -14.575 19.919 -26.684 1.00 0.00 N ATOM 899 CA ARG A 63 -13.263 20.477 -26.378 1.00 0.00 C ATOM 900 C ARG A 63 -12.890 20.222 -24.921 1.00 0.00 C ATOM 901 O ARG A 63 -11.763 19.833 -24.618 1.00 0.00 O ATOM 902 CB ARG A 63 -13.244 21.979 -26.666 1.00 0.00 C ATOM 903 CG ARG A 63 -13.107 22.315 -28.142 1.00 0.00 C ATOM 904 CD ARG A 63 -12.309 23.592 -28.351 1.00 0.00 C ATOM 905 NE ARG A 63 -12.767 24.672 -27.481 1.00 0.00 N ATOM 906 CZ ARG A 63 -13.825 25.430 -27.745 1.00 0.00 C ATOM 907 NH1 ARG A 63 -14.531 25.228 -28.849 1.00 0.00 N ATOM 908 NH2 ARG A 63 -14.180 26.394 -26.904 1.00 0.00 N ATOM 0 H ARG A 63 -15.222 20.576 -27.121 1.00 0.00 H new ATOM 0 HA ARG A 63 -12.529 19.983 -27.014 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.162 22.425 -26.284 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.418 22.434 -26.120 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.618 21.490 -28.660 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -14.097 22.427 -28.584 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.254 23.396 -28.160 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.392 23.905 -29.392 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.246 24.854 -26.623 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -14.262 24.489 -29.498 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -15.343 25.812 -29.049 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.640 26.553 -26.054 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.993 26.975 -27.108 1.00 0.00 H new ATOM 922 N GLN A 64 -13.845 20.446 -24.023 1.00 0.00 N ATOM 923 CA GLN A 64 -13.616 20.242 -22.598 1.00 0.00 C ATOM 924 C GLN A 64 -13.261 18.788 -22.306 1.00 0.00 C ATOM 925 O GLN A 64 -12.265 18.504 -21.640 1.00 0.00 O ATOM 926 CB GLN A 64 -14.855 20.647 -21.798 1.00 0.00 C ATOM 927 CG GLN A 64 -14.975 22.147 -21.579 1.00 0.00 C ATOM 928 CD GLN A 64 -14.507 22.574 -20.201 1.00 0.00 C ATOM 929 OE1 GLN A 64 -13.628 23.427 -20.068 1.00 0.00 O ATOM 930 NE2 GLN A 64 -15.093 21.983 -19.167 1.00 0.00 N ATOM 0 H GLN A 64 -14.784 20.769 -24.258 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.777 20.869 -22.297 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.745 20.292 -22.318 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -14.831 20.148 -20.829 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -14.389 22.669 -22.336 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -16.013 22.449 -21.716 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.817 21.282 -19.323 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -14.820 22.230 -18.216 1.00 0.00 H new ATOM 939 N ARG A 65 -14.081 17.871 -22.808 1.00 0.00 N ATOM 940 CA ARG A 65 -13.854 16.446 -22.600 1.00 0.00 C ATOM 941 C ARG A 65 -12.435 16.057 -23.006 1.00 0.00 C ATOM 942 O ARG A 65 -11.747 15.338 -22.281 1.00 0.00 O ATOM 943 CB ARG A 65 -14.868 15.624 -23.397 1.00 0.00 C ATOM 944 CG ARG A 65 -16.123 15.278 -22.613 1.00 0.00 C ATOM 945 CD ARG A 65 -17.190 14.670 -23.509 1.00 0.00 C ATOM 946 NE ARG A 65 -17.833 13.515 -22.889 1.00 0.00 N ATOM 947 CZ ARG A 65 -18.716 12.742 -23.512 1.00 0.00 C ATOM 948 NH1 ARG A 65 -19.058 13.000 -24.767 1.00 0.00 N ATOM 949 NH2 ARG A 65 -19.257 11.709 -22.881 1.00 0.00 N ATOM 0 H ARG A 65 -14.909 18.089 -23.362 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.981 16.235 -21.538 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.150 16.179 -24.291 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.393 14.702 -23.731 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -15.874 14.578 -21.816 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -16.515 16.177 -22.137 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -17.943 15.424 -23.739 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.740 14.370 -24.455 1.00 0.00 H new ATOM 0 HE ARG A 65 -17.591 13.289 -21.924 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.643 13.793 -25.256 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -19.736 12.405 -25.243 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.995 11.507 -21.916 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -19.935 11.116 -23.361 1.00 0.00 H new ATOM 963 N ILE A 66 -12.006 16.536 -24.168 1.00 0.00 N ATOM 964 CA ILE A 66 -10.670 16.238 -24.670 1.00 0.00 C ATOM 965 C ILE A 66 -9.597 16.760 -23.720 1.00 0.00 C ATOM 966 O ILE A 66 -8.680 16.030 -23.340 1.00 0.00 O ATOM 967 CB ILE A 66 -10.444 16.847 -26.066 1.00 0.00 C ATOM 968 CG1 ILE A 66 -11.487 16.318 -27.052 1.00 0.00 C ATOM 969 CG2 ILE A 66 -9.038 16.538 -26.558 1.00 0.00 C ATOM 970 CD1 ILE A 66 -11.547 17.099 -28.346 1.00 0.00 C ATOM 0 H ILE A 66 -12.564 17.132 -24.780 1.00 0.00 H new ATOM 0 HA ILE A 66 -10.594 15.153 -24.740 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.554 17.929 -25.996 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.266 15.275 -27.277 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.468 16.341 -26.578 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.894 16.975 -27.546 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.309 16.959 -25.865 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.902 15.458 -26.616 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.308 16.668 -28.996 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -11.798 18.138 -28.133 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.578 17.055 -28.843 1.00 0.00 H new ATOM 982 N LEU A 67 -9.718 18.027 -23.339 1.00 0.00 N ATOM 983 CA LEU A 67 -8.760 18.647 -22.431 1.00 0.00 C ATOM 984 C LEU A 67 -8.571 17.800 -21.176 1.00 0.00 C ATOM 985 O LEU A 67 -7.453 17.639 -20.688 1.00 0.00 O ATOM 986 CB LEU A 67 -9.228 20.052 -22.046 1.00 0.00 C ATOM 987 CG LEU A 67 -8.856 21.173 -23.017 1.00 0.00 C ATOM 988 CD1 LEU A 67 -9.627 22.442 -22.688 1.00 0.00 C ATOM 989 CD2 LEU A 67 -7.357 21.433 -22.984 1.00 0.00 C ATOM 0 H LEU A 67 -10.470 18.645 -23.645 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.802 18.718 -22.946 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.313 20.036 -21.940 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.816 20.295 -21.067 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.127 20.859 -24.025 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.349 23.229 -23.389 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -10.697 22.248 -22.765 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.388 22.760 -21.673 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.111 22.234 -23.681 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.061 21.725 -21.977 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.824 20.526 -23.270 1.00 0.00 H new ATOM 1001 N GLN A 68 -9.671 17.261 -20.662 1.00 0.00 N ATOM 1002 CA GLN A 68 -9.625 16.429 -19.465 1.00 0.00 C ATOM 1003 C GLN A 68 -8.880 15.126 -19.736 1.00 0.00 C ATOM 1004 O GLN A 68 -8.041 14.703 -18.942 1.00 0.00 O ATOM 1005 CB GLN A 68 -11.042 16.127 -18.974 1.00 0.00 C ATOM 1006 CG GLN A 68 -11.356 16.733 -17.615 1.00 0.00 C ATOM 1007 CD GLN A 68 -12.632 17.551 -17.622 1.00 0.00 C ATOM 1008 OE1 GLN A 68 -13.557 17.274 -18.385 1.00 0.00 O ATOM 1009 NE2 GLN A 68 -12.689 18.567 -16.768 1.00 0.00 N ATOM 0 H GLN A 68 -10.604 17.385 -21.055 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.089 16.979 -18.691 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.759 16.502 -19.705 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.177 15.047 -18.921 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.444 15.935 -16.877 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.525 17.366 -17.303 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.899 18.761 -16.153 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.523 19.153 -16.727 1.00 0.00 H new ATOM 1018 N ALA A 69 -9.194 14.494 -20.862 1.00 0.00 N ATOM 1019 CA ALA A 69 -8.553 13.240 -21.239 1.00 0.00 C ATOM 1020 C ALA A 69 -7.045 13.414 -21.378 1.00 0.00 C ATOM 1021 O ALA A 69 -6.267 12.619 -20.849 1.00 0.00 O ATOM 1022 CB ALA A 69 -9.148 12.712 -22.536 1.00 0.00 C ATOM 0 H ALA A 69 -9.889 14.830 -21.529 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.736 12.514 -20.447 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.660 11.775 -22.805 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.216 12.539 -22.403 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.995 13.442 -23.330 1.00 0.00 H new ATOM 1028 N ILE A 70 -6.638 14.457 -22.093 1.00 0.00 N ATOM 1029 CA ILE A 70 -5.223 14.735 -22.301 1.00 0.00 C ATOM 1030 C ILE A 70 -4.497 14.917 -20.973 1.00 0.00 C ATOM 1031 O ILE A 70 -3.316 14.593 -20.850 1.00 0.00 O ATOM 1032 CB ILE A 70 -5.017 15.995 -23.162 1.00 0.00 C ATOM 1033 CG1 ILE A 70 -5.693 15.825 -24.524 1.00 0.00 C ATOM 1034 CG2 ILE A 70 -3.533 16.283 -23.334 1.00 0.00 C ATOM 1035 CD1 ILE A 70 -5.756 17.103 -25.332 1.00 0.00 C ATOM 0 H ILE A 70 -7.269 15.124 -22.538 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.807 13.875 -22.825 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.475 16.843 -22.653 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.154 15.069 -25.096 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.705 15.450 -24.374 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.404 17.176 -23.945 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.078 16.443 -22.357 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.052 15.436 -23.824 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.248 16.907 -26.285 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.320 17.855 -24.780 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.745 17.469 -25.514 1.00 0.00 H new ATOM 1047 N GLN A 71 -5.213 15.435 -19.980 1.00 0.00 N ATOM 1048 CA GLN A 71 -4.637 15.659 -18.659 1.00 0.00 C ATOM 1049 C GLN A 71 -4.406 14.336 -17.935 1.00 0.00 C ATOM 1050 O GLN A 71 -3.548 14.238 -17.057 1.00 0.00 O ATOM 1051 CB GLN A 71 -5.552 16.558 -17.826 1.00 0.00 C ATOM 1052 CG GLN A 71 -5.168 18.028 -17.873 1.00 0.00 C ATOM 1053 CD GLN A 71 -5.517 18.764 -16.595 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -6.671 19.132 -16.372 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -4.520 18.983 -15.746 1.00 0.00 N ATOM 0 H GLN A 71 -6.192 15.707 -20.065 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.675 16.154 -18.789 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.577 16.447 -18.180 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.535 16.220 -16.790 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.097 18.114 -18.056 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.674 18.505 -18.712 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.579 18.661 -15.971 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.695 19.473 -14.869 1.00 0.00 H new ATOM 1064 N LEU A 72 -5.178 13.321 -18.307 1.00 0.00 N ATOM 1065 CA LEU A 72 -5.059 12.004 -17.693 1.00 0.00 C ATOM 1066 C LEU A 72 -3.885 11.230 -18.286 1.00 0.00 C ATOM 1067 O LEU A 72 -3.301 10.368 -17.629 1.00 0.00 O ATOM 1068 CB LEU A 72 -6.354 11.212 -17.882 1.00 0.00 C ATOM 1069 CG LEU A 72 -7.605 11.808 -17.236 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -8.829 10.968 -17.569 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -7.426 11.918 -15.729 1.00 0.00 C ATOM 0 H LEU A 72 -5.893 13.385 -19.031 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.878 12.143 -16.627 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.538 11.104 -18.951 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.205 10.209 -17.481 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.756 12.810 -17.638 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.710 11.407 -17.101 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.968 10.940 -18.650 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.687 9.954 -17.195 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.326 12.344 -15.286 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.250 10.927 -15.310 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.574 12.562 -15.510 1.00 0.00 H new ATOM 1083 N LEU A 73 -3.544 11.546 -19.530 1.00 0.00 N ATOM 1084 CA LEU A 73 -2.438 10.883 -20.212 1.00 0.00 C ATOM 1085 C LEU A 73 -1.171 10.928 -19.365 1.00 0.00 C ATOM 1086 O LEU A 73 -1.023 11.759 -18.469 1.00 0.00 O ATOM 1087 CB LEU A 73 -2.182 11.540 -21.570 1.00 0.00 C ATOM 1088 CG LEU A 73 -3.072 11.071 -22.721 1.00 0.00 C ATOM 1089 CD1 LEU A 73 -2.829 11.917 -23.962 1.00 0.00 C ATOM 1090 CD2 LEU A 73 -2.826 9.599 -23.020 1.00 0.00 C ATOM 0 H LEU A 73 -4.017 12.257 -20.087 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.712 9.840 -20.367 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.304 12.617 -21.459 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.142 11.364 -21.846 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.113 11.191 -22.422 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.471 11.569 -24.771 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.056 12.960 -23.742 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.785 11.829 -24.264 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.468 9.282 -23.842 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.782 9.454 -23.298 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.051 9.005 -22.134 1.00 0.00 H new ATOM 1102 N PRO A 74 -0.232 10.015 -19.656 1.00 0.00 N ATOM 1103 CA PRO A 74 1.041 9.932 -18.934 1.00 0.00 C ATOM 1104 C PRO A 74 1.957 11.114 -19.236 1.00 0.00 C ATOM 1105 O PRO A 74 2.130 11.497 -20.393 1.00 0.00 O ATOM 1106 CB PRO A 74 1.659 8.631 -19.453 1.00 0.00 C ATOM 1107 CG PRO A 74 1.052 8.434 -20.799 1.00 0.00 C ATOM 1108 CD PRO A 74 -0.341 8.994 -20.712 1.00 0.00 C ATOM 0 HA PRO A 74 0.899 9.951 -17.854 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.745 8.706 -19.515 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.435 7.794 -18.791 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.631 8.947 -21.567 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.032 7.378 -21.067 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.660 9.428 -21.660 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.068 8.224 -20.454 1.00 0.00 H new