USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 555 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 310 HIS : no HD1:sc= -3.49 K(o=-7.3,f=-8.1!) USER MOD Set 1.2: A 312 CYS SG : rot -27:sc= -3.81! USER MOD Set 2.1: A 290 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 294 MET CE :methyl 153:sc=-0.00456 (180deg=-1.09) USER MOD Single : A 293 THR OG1 : rot -160:sc= -0.516 USER MOD Single : A 295 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 301 THR OG1 : rot -170:sc= -0.24 USER MOD Single : A 305 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 306 THR OG1 : rot -170:sc= -0.462 USER MOD Single : A 311 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 313 GLN :FLIP amide:sc= -0.88 F(o=-1.9,f=-0.88) USER MOD Single : A 318 TYR OH : rot 180:sc= 0 USER MOD Single : A 321 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 323 SER OG : rot 180:sc= 0 USER MOD Single : A 325 THR OG1 : rot 180:sc= 0 USER MOD Single : A 330 THR OG1 : rot 180:sc= 0 USER MOD Single : A 331 LYS NZ :NH3+ -167:sc= 0.279 (180deg=0.196) USER MOD Single : A 334 HIS : no HE2:sc= 0.071 K(o=0.071,f=-1.9) USER MOD Single : A 336 LYS NZ :NH3+ -105:sc= -1.51 (180deg=-4.19!) USER MOD Single : A 337 THR OG1 : rot 180:sc= 0 USER MOD Single : A 338 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 THR OG1 : rot 83:sc= 0.645 USER MOD Single : A 341 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.18) USER MOD Single : A 342 TYR OH : rot 30:sc= -0.237 USER MOD Single : A 344 SER OG : rot 180:sc= 0 USER MOD Single : A 345 THR OG1 : rot -40:sc= 0.32 USER MOD Single : A 346 ASN :FLIP amide:sc= -0.793 F(o=-4,f=-0.79) USER MOD Single : A 350 GLN : amide:sc= -0.311 K(o=-0.31,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 289 -19.702 3.012 3.357 1.00 0.00 N ATOM 2 CA PHE A 289 -18.465 2.397 2.801 1.00 0.00 C ATOM 3 C PHE A 289 -18.178 2.995 1.424 1.00 0.00 C ATOM 4 O PHE A 289 -17.065 3.357 1.100 1.00 0.00 O ATOM 5 CB PHE A 289 -18.664 0.879 2.653 1.00 0.00 C ATOM 6 CG PHE A 289 -19.423 0.345 3.847 1.00 0.00 C ATOM 7 CD1 PHE A 289 -18.838 0.382 5.117 1.00 0.00 C ATOM 8 CD2 PHE A 289 -20.709 -0.190 3.684 1.00 0.00 C ATOM 9 CE1 PHE A 289 -19.537 -0.114 6.224 1.00 0.00 C ATOM 10 CE2 PHE A 289 -21.406 -0.687 4.792 1.00 0.00 C ATOM 11 CZ PHE A 289 -20.821 -0.649 6.063 1.00 0.00 C ATOM 0 HA PHE A 289 -17.631 2.594 3.475 1.00 0.00 H new ATOM 0 HB2 PHE A 289 -19.211 0.662 1.736 1.00 0.00 H new ATOM 0 HB3 PHE A 289 -17.697 0.382 2.573 1.00 0.00 H new ATOM 0 HD1 PHE A 289 -17.847 0.793 5.244 1.00 0.00 H new ATOM 0 HD2 PHE A 289 -21.162 -0.219 2.704 1.00 0.00 H new ATOM 0 HE1 PHE A 289 -19.085 -0.084 7.204 1.00 0.00 H new ATOM 0 HE2 PHE A 289 -22.396 -1.100 4.666 1.00 0.00 H new ATOM 0 HZ PHE A 289 -21.359 -1.032 6.918 1.00 0.00 H new ATOM 21 N SER A 290 -19.188 3.068 0.611 1.00 0.00 N ATOM 22 CA SER A 290 -19.026 3.603 -0.767 1.00 0.00 C ATOM 23 C SER A 290 -18.222 4.912 -0.786 1.00 0.00 C ATOM 24 O SER A 290 -17.367 5.097 -1.630 1.00 0.00 O ATOM 25 CB SER A 290 -20.414 3.814 -1.398 1.00 0.00 C ATOM 26 OG SER A 290 -20.403 3.296 -2.722 1.00 0.00 O ATOM 0 H SER A 290 -20.136 2.775 0.846 1.00 0.00 H new ATOM 0 HA SER A 290 -18.462 2.875 -1.350 1.00 0.00 H new ATOM 0 HB2 SER A 290 -21.178 3.313 -0.804 1.00 0.00 H new ATOM 0 HB3 SER A 290 -20.665 4.875 -1.411 1.00 0.00 H new ATOM 0 HG SER A 290 -21.284 3.425 -3.131 1.00 0.00 H new ATOM 32 N PRO A 291 -18.502 5.825 0.103 1.00 0.00 N ATOM 33 CA PRO A 291 -17.805 7.133 0.140 1.00 0.00 C ATOM 34 C PRO A 291 -16.483 7.106 0.926 1.00 0.00 C ATOM 35 O PRO A 291 -15.469 7.579 0.457 1.00 0.00 O ATOM 36 CB PRO A 291 -18.833 8.075 0.819 1.00 0.00 C ATOM 37 CG PRO A 291 -19.941 7.190 1.353 1.00 0.00 C ATOM 38 CD PRO A 291 -19.499 5.734 1.165 1.00 0.00 C ATOM 0 HA PRO A 291 -17.509 7.450 -0.860 1.00 0.00 H new ATOM 0 HB2 PRO A 291 -18.367 8.641 1.625 1.00 0.00 H new ATOM 0 HB3 PRO A 291 -19.225 8.800 0.106 1.00 0.00 H new ATOM 0 HG2 PRO A 291 -20.127 7.401 2.406 1.00 0.00 H new ATOM 0 HG3 PRO A 291 -20.873 7.379 0.821 1.00 0.00 H new ATOM 0 HD2 PRO A 291 -19.076 5.320 2.080 1.00 0.00 H new ATOM 0 HD3 PRO A 291 -20.333 5.093 0.881 1.00 0.00 H new ATOM 46 N GLU A 292 -16.495 6.597 2.128 1.00 0.00 N ATOM 47 CA GLU A 292 -15.240 6.595 2.954 1.00 0.00 C ATOM 48 C GLU A 292 -14.384 5.342 2.699 1.00 0.00 C ATOM 49 O GLU A 292 -13.223 5.430 2.344 1.00 0.00 O ATOM 50 CB GLU A 292 -15.624 6.679 4.449 1.00 0.00 C ATOM 51 CG GLU A 292 -16.994 6.029 4.678 1.00 0.00 C ATOM 52 CD GLU A 292 -17.247 5.889 6.179 1.00 0.00 C ATOM 53 OE1 GLU A 292 -16.677 6.661 6.931 1.00 0.00 O ATOM 54 OE2 GLU A 292 -18.009 5.012 6.553 1.00 0.00 O ATOM 0 H GLU A 292 -17.312 6.183 2.577 1.00 0.00 H new ATOM 0 HA GLU A 292 -14.640 7.459 2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 292 -14.869 6.178 5.055 1.00 0.00 H new ATOM 0 HB3 GLU A 292 -15.649 7.721 4.768 1.00 0.00 H new ATOM 0 HG2 GLU A 292 -17.777 6.635 4.221 1.00 0.00 H new ATOM 0 HG3 GLU A 292 -17.029 5.050 4.200 1.00 0.00 H new ATOM 61 N THR A 293 -14.935 4.185 2.912 1.00 0.00 N ATOM 62 CA THR A 293 -14.152 2.929 2.727 1.00 0.00 C ATOM 63 C THR A 293 -13.664 2.784 1.291 1.00 0.00 C ATOM 64 O THR A 293 -12.524 2.446 1.042 1.00 0.00 O ATOM 65 CB THR A 293 -15.048 1.737 3.048 1.00 0.00 C ATOM 66 OG1 THR A 293 -15.590 1.888 4.352 1.00 0.00 O ATOM 67 CG2 THR A 293 -14.244 0.440 2.973 1.00 0.00 C ATOM 0 H THR A 293 -15.902 4.050 3.209 1.00 0.00 H new ATOM 0 HA THR A 293 -13.288 2.967 3.390 1.00 0.00 H new ATOM 0 HB THR A 293 -15.858 1.694 2.319 1.00 0.00 H new ATOM 0 HG1 THR A 293 -15.892 1.017 4.684 1.00 0.00 H new ATOM 0 HG21 THR A 293 -14.893 -0.404 3.204 1.00 0.00 H new ATOM 0 HG22 THR A 293 -13.838 0.321 1.969 1.00 0.00 H new ATOM 0 HG23 THR A 293 -13.426 0.477 3.693 1.00 0.00 H new ATOM 75 N MET A 294 -14.526 2.988 0.344 1.00 0.00 N ATOM 76 CA MET A 294 -14.117 2.804 -1.071 1.00 0.00 C ATOM 77 C MET A 294 -12.909 3.690 -1.391 1.00 0.00 C ATOM 78 O MET A 294 -11.958 3.244 -1.998 1.00 0.00 O ATOM 79 CB MET A 294 -15.303 3.137 -1.989 1.00 0.00 C ATOM 80 CG MET A 294 -15.262 2.251 -3.240 1.00 0.00 C ATOM 81 SD MET A 294 -16.737 2.556 -4.245 1.00 0.00 S ATOM 82 CE MET A 294 -17.758 1.224 -3.564 1.00 0.00 C ATOM 0 H MET A 294 -15.495 3.274 0.486 1.00 0.00 H new ATOM 0 HA MET A 294 -13.825 1.767 -1.237 1.00 0.00 H new ATOM 0 HB2 MET A 294 -16.241 2.984 -1.455 1.00 0.00 H new ATOM 0 HB3 MET A 294 -15.268 4.188 -2.276 1.00 0.00 H new ATOM 0 HG2 MET A 294 -14.364 2.463 -3.820 1.00 0.00 H new ATOM 0 HG3 MET A 294 -15.215 1.200 -2.953 1.00 0.00 H new ATOM 0 HE1 MET A 294 -18.811 1.489 -3.657 1.00 0.00 H new ATOM 0 HE2 MET A 294 -17.566 0.302 -4.112 1.00 0.00 H new ATOM 0 HE3 MET A 294 -17.512 1.079 -2.512 1.00 0.00 H new ATOM 92 N LYS A 295 -12.922 4.931 -0.988 1.00 0.00 N ATOM 93 CA LYS A 295 -11.751 5.805 -1.280 1.00 0.00 C ATOM 94 C LYS A 295 -10.485 5.107 -0.803 1.00 0.00 C ATOM 95 O LYS A 295 -9.469 5.134 -1.465 1.00 0.00 O ATOM 96 CB LYS A 295 -11.913 7.147 -0.564 1.00 0.00 C ATOM 97 CG LYS A 295 -12.929 8.003 -1.323 1.00 0.00 C ATOM 98 CD LYS A 295 -13.277 9.236 -0.490 1.00 0.00 C ATOM 99 CE LYS A 295 -14.434 9.989 -1.151 1.00 0.00 C ATOM 100 NZ LYS A 295 -14.890 11.088 -0.254 1.00 0.00 N ATOM 0 H LYS A 295 -13.684 5.374 -0.475 1.00 0.00 H new ATOM 0 HA LYS A 295 -11.685 5.989 -2.352 1.00 0.00 H new ATOM 0 HB2 LYS A 295 -12.247 6.988 0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 295 -10.954 7.662 -0.510 1.00 0.00 H new ATOM 0 HG2 LYS A 295 -12.519 8.305 -2.286 1.00 0.00 H new ATOM 0 HG3 LYS A 295 -13.829 7.423 -1.528 1.00 0.00 H new ATOM 0 HD2 LYS A 295 -13.554 8.938 0.521 1.00 0.00 H new ATOM 0 HD3 LYS A 295 -12.407 9.887 -0.404 1.00 0.00 H new ATOM 0 HE2 LYS A 295 -14.115 10.397 -2.110 1.00 0.00 H new ATOM 0 HE3 LYS A 295 -15.258 9.305 -1.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 295 -15.676 11.599 -0.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 295 -15.210 10.687 0.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 295 -14.103 11.745 -0.082 1.00 0.00 H new ATOM 114 N ALA A 296 -10.534 4.456 0.325 1.00 0.00 N ATOM 115 CA ALA A 296 -9.320 3.741 0.789 1.00 0.00 C ATOM 116 C ALA A 296 -8.919 2.753 -0.305 1.00 0.00 C ATOM 117 O ALA A 296 -7.764 2.637 -0.663 1.00 0.00 O ATOM 118 CB ALA A 296 -9.615 2.997 2.091 1.00 0.00 C ATOM 0 H ALA A 296 -11.349 4.390 0.935 1.00 0.00 H new ATOM 0 HA ALA A 296 -8.510 4.445 0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 296 -8.718 2.475 2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 296 -9.924 3.710 2.855 1.00 0.00 H new ATOM 0 HB3 ALA A 296 -10.414 2.274 1.924 1.00 0.00 H new ATOM 124 N ARG A 297 -9.878 2.059 -0.862 1.00 0.00 N ATOM 125 CA ARG A 297 -9.570 1.102 -1.958 1.00 0.00 C ATOM 126 C ARG A 297 -9.092 1.896 -3.174 1.00 0.00 C ATOM 127 O ARG A 297 -8.144 1.535 -3.838 1.00 0.00 O ATOM 128 CB ARG A 297 -10.829 0.315 -2.329 1.00 0.00 C ATOM 129 CG ARG A 297 -11.535 -0.153 -1.059 1.00 0.00 C ATOM 130 CD ARG A 297 -12.722 -1.038 -1.440 1.00 0.00 C ATOM 131 NE ARG A 297 -12.228 -2.210 -2.218 1.00 0.00 N ATOM 132 CZ ARG A 297 -13.009 -3.235 -2.434 1.00 0.00 C ATOM 133 NH1 ARG A 297 -14.235 -3.229 -1.986 1.00 0.00 N ATOM 134 NH2 ARG A 297 -12.564 -4.263 -3.101 1.00 0.00 N ATOM 0 H ARG A 297 -10.863 2.116 -0.602 1.00 0.00 H new ATOM 0 HA ARG A 297 -8.798 0.404 -1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 297 -11.499 0.939 -2.920 1.00 0.00 H new ATOM 0 HB3 ARG A 297 -10.564 -0.543 -2.947 1.00 0.00 H new ATOM 0 HG2 ARG A 297 -10.841 -0.707 -0.426 1.00 0.00 H new ATOM 0 HG3 ARG A 297 -11.877 0.706 -0.481 1.00 0.00 H new ATOM 0 HD2 ARG A 297 -13.243 -1.374 -0.544 1.00 0.00 H new ATOM 0 HD3 ARG A 297 -13.440 -0.470 -2.031 1.00 0.00 H new ATOM 0 HE ARG A 297 -11.276 -2.212 -2.583 1.00 0.00 H new ATOM 0 HH11 ARG A 297 -14.584 -2.424 -1.467 1.00 0.00 H new ATOM 0 HH12 ARG A 297 -14.844 -4.030 -2.155 1.00 0.00 H new ATOM 0 HH21 ARG A 297 -11.607 -4.267 -3.454 1.00 0.00 H new ATOM 0 HH22 ARG A 297 -13.173 -5.064 -3.270 1.00 0.00 H new ATOM 148 N ARG A 298 -9.738 2.989 -3.468 1.00 0.00 N ATOM 149 CA ARG A 298 -9.305 3.807 -4.628 1.00 0.00 C ATOM 150 C ARG A 298 -7.849 4.202 -4.407 1.00 0.00 C ATOM 151 O ARG A 298 -7.039 4.174 -5.313 1.00 0.00 O ATOM 152 CB ARG A 298 -10.181 5.059 -4.727 1.00 0.00 C ATOM 153 CG ARG A 298 -9.915 5.787 -6.059 1.00 0.00 C ATOM 154 CD ARG A 298 -10.746 5.162 -7.189 1.00 0.00 C ATOM 155 NE ARG A 298 -10.621 5.998 -8.416 1.00 0.00 N ATOM 156 CZ ARG A 298 -11.001 5.522 -9.572 1.00 0.00 C ATOM 157 NH1 ARG A 298 -11.494 4.318 -9.651 1.00 0.00 N ATOM 158 NH2 ARG A 298 -10.888 6.253 -10.648 1.00 0.00 N ATOM 0 H ARG A 298 -10.544 3.348 -2.956 1.00 0.00 H new ATOM 0 HA ARG A 298 -9.403 3.242 -5.555 1.00 0.00 H new ATOM 0 HB2 ARG A 298 -11.233 4.783 -4.658 1.00 0.00 H new ATOM 0 HB3 ARG A 298 -9.972 5.726 -3.891 1.00 0.00 H new ATOM 0 HG2 ARG A 298 -10.163 6.844 -5.959 1.00 0.00 H new ATOM 0 HG3 ARG A 298 -8.855 5.731 -6.305 1.00 0.00 H new ATOM 0 HD2 ARG A 298 -10.402 4.148 -7.390 1.00 0.00 H new ATOM 0 HD3 ARG A 298 -11.792 5.090 -6.889 1.00 0.00 H new ATOM 0 HE ARG A 298 -10.239 6.942 -8.354 1.00 0.00 H new ATOM 0 HH11 ARG A 298 -11.583 3.747 -8.810 1.00 0.00 H new ATOM 0 HH12 ARG A 298 -11.791 3.947 -10.553 1.00 0.00 H new ATOM 0 HH21 ARG A 298 -10.503 7.196 -10.586 1.00 0.00 H new ATOM 0 HH22 ARG A 298 -11.185 5.881 -11.550 1.00 0.00 H new ATOM 172 N ALA A 299 -7.503 4.543 -3.195 1.00 0.00 N ATOM 173 CA ALA A 299 -6.091 4.907 -2.902 1.00 0.00 C ATOM 174 C ALA A 299 -5.232 3.663 -3.122 1.00 0.00 C ATOM 175 O ALA A 299 -4.110 3.732 -3.592 1.00 0.00 O ATOM 176 CB ALA A 299 -5.972 5.367 -1.446 1.00 0.00 C ATOM 0 H ALA A 299 -8.138 4.585 -2.397 1.00 0.00 H new ATOM 0 HA ALA A 299 -5.761 5.717 -3.553 1.00 0.00 H new ATOM 0 HB1 ALA A 299 -4.937 5.634 -1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 299 -6.611 6.235 -1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 299 -6.283 4.560 -0.783 1.00 0.00 H new ATOM 182 N TRP A 300 -5.775 2.518 -2.807 1.00 0.00 N ATOM 183 CA TRP A 300 -5.030 1.248 -3.011 1.00 0.00 C ATOM 184 C TRP A 300 -4.922 0.976 -4.511 1.00 0.00 C ATOM 185 O TRP A 300 -4.117 0.180 -4.945 1.00 0.00 O ATOM 186 CB TRP A 300 -5.782 0.098 -2.340 1.00 0.00 C ATOM 187 CG TRP A 300 -5.841 0.227 -0.831 1.00 0.00 C ATOM 188 CD1 TRP A 300 -6.689 -0.507 -0.067 1.00 0.00 C ATOM 189 CD2 TRP A 300 -5.076 1.069 0.121 1.00 0.00 C ATOM 190 NE1 TRP A 300 -6.489 -0.207 1.261 1.00 0.00 N ATOM 191 CE2 TRP A 300 -5.517 0.748 1.435 1.00 0.00 C ATOM 192 CE3 TRP A 300 -4.058 2.057 0.008 1.00 0.00 C ATOM 193 CZ2 TRP A 300 -4.979 1.358 2.566 1.00 0.00 C ATOM 194 CZ3 TRP A 300 -3.523 2.666 1.155 1.00 0.00 C ATOM 195 CH2 TRP A 300 -3.978 2.314 2.427 1.00 0.00 C ATOM 0 H TRP A 300 -6.710 2.410 -2.414 1.00 0.00 H new ATOM 0 HA TRP A 300 -4.035 1.330 -2.574 1.00 0.00 H new ATOM 0 HB2 TRP A 300 -6.797 0.056 -2.735 1.00 0.00 H new ATOM 0 HB3 TRP A 300 -5.300 -0.844 -2.600 1.00 0.00 H new ATOM 0 HD1 TRP A 300 -7.410 -1.217 -0.443 1.00 0.00 H new ATOM 0 HE1 TRP A 300 -7.003 -0.643 2.027 1.00 0.00 H new ATOM 0 HE3 TRP A 300 -3.694 2.341 -0.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 300 -5.338 1.089 3.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 300 -2.751 3.415 1.052 1.00 0.00 H new ATOM 0 HH2 TRP A 300 -3.553 2.783 3.302 1.00 0.00 H new ATOM 206 N THR A 301 -5.715 1.639 -5.309 1.00 0.00 N ATOM 207 CA THR A 301 -5.648 1.417 -6.784 1.00 0.00 C ATOM 208 C THR A 301 -4.405 2.102 -7.370 1.00 0.00 C ATOM 209 O THR A 301 -3.544 1.470 -7.948 1.00 0.00 O ATOM 210 CB THR A 301 -6.886 2.016 -7.439 1.00 0.00 C ATOM 211 OG1 THR A 301 -8.044 1.625 -6.715 1.00 0.00 O ATOM 212 CG2 THR A 301 -6.990 1.525 -8.884 1.00 0.00 C ATOM 0 H THR A 301 -6.406 2.325 -5.004 1.00 0.00 H new ATOM 0 HA THR A 301 -5.596 0.345 -6.975 1.00 0.00 H new ATOM 0 HB THR A 301 -6.809 3.103 -7.434 1.00 0.00 H new ATOM 0 HG1 THR A 301 -8.846 1.875 -7.220 1.00 0.00 H new ATOM 0 HG21 THR A 301 -7.876 1.954 -9.351 1.00 0.00 H new ATOM 0 HG22 THR A 301 -6.103 1.833 -9.438 1.00 0.00 H new ATOM 0 HG23 THR A 301 -7.065 0.438 -8.894 1.00 0.00 H new ATOM 220 N ASP A 302 -4.320 3.400 -7.239 1.00 0.00 N ATOM 221 CA ASP A 302 -3.153 4.142 -7.800 1.00 0.00 C ATOM 222 C ASP A 302 -1.847 3.473 -7.369 1.00 0.00 C ATOM 223 O ASP A 302 -0.940 3.286 -8.159 1.00 0.00 O ATOM 224 CB ASP A 302 -3.175 5.584 -7.285 1.00 0.00 C ATOM 225 CG ASP A 302 -1.996 6.357 -7.878 1.00 0.00 C ATOM 226 OD1 ASP A 302 -0.877 6.098 -7.467 1.00 0.00 O ATOM 227 OD2 ASP A 302 -2.233 7.194 -8.734 1.00 0.00 O ATOM 0 H ASP A 302 -5.012 3.980 -6.765 1.00 0.00 H new ATOM 0 HA ASP A 302 -3.216 4.134 -8.888 1.00 0.00 H new ATOM 0 HB2 ASP A 302 -4.114 6.065 -7.560 1.00 0.00 H new ATOM 0 HB3 ASP A 302 -3.119 5.593 -6.196 1.00 0.00 H new ATOM 232 N VAL A 303 -1.731 3.118 -6.127 1.00 0.00 N ATOM 233 CA VAL A 303 -0.477 2.475 -5.666 1.00 0.00 C ATOM 234 C VAL A 303 -0.410 1.036 -6.184 1.00 0.00 C ATOM 235 O VAL A 303 0.647 0.549 -6.530 1.00 0.00 O ATOM 236 CB VAL A 303 -0.449 2.474 -4.140 1.00 0.00 C ATOM 237 CG1 VAL A 303 -0.594 3.909 -3.626 1.00 0.00 C ATOM 238 CG2 VAL A 303 -1.604 1.622 -3.618 1.00 0.00 C ATOM 0 H VAL A 303 -2.447 3.244 -5.412 1.00 0.00 H new ATOM 0 HA VAL A 303 0.380 3.029 -6.049 1.00 0.00 H new ATOM 0 HB VAL A 303 0.497 2.061 -3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 303 -0.574 3.909 -2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 303 0.229 4.516 -4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 303 -1.540 4.325 -3.972 1.00 0.00 H new ATOM 0 HG21 VAL A 303 -1.589 1.617 -2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 303 -2.549 2.038 -3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 303 -1.499 0.602 -3.987 1.00 0.00 H new ATOM 248 N ILE A 304 -1.527 0.347 -6.244 1.00 0.00 N ATOM 249 CA ILE A 304 -1.507 -1.069 -6.739 1.00 0.00 C ATOM 250 C ILE A 304 -0.667 -1.146 -8.023 1.00 0.00 C ATOM 251 O ILE A 304 0.155 -2.026 -8.182 1.00 0.00 O ATOM 252 CB ILE A 304 -2.969 -1.547 -6.981 1.00 0.00 C ATOM 253 CG1 ILE A 304 -3.441 -2.417 -5.802 1.00 0.00 C ATOM 254 CG2 ILE A 304 -3.098 -2.364 -8.275 1.00 0.00 C ATOM 255 CD1 ILE A 304 -4.967 -2.564 -5.825 1.00 0.00 C ATOM 0 H ILE A 304 -2.445 0.700 -5.974 1.00 0.00 H new ATOM 0 HA ILE A 304 -1.053 -1.727 -5.998 1.00 0.00 H new ATOM 0 HB ILE A 304 -3.588 -0.654 -7.070 1.00 0.00 H new ATOM 0 HG12 ILE A 304 -2.974 -3.400 -5.857 1.00 0.00 H new ATOM 0 HG13 ILE A 304 -3.127 -1.967 -4.860 1.00 0.00 H new ATOM 0 HG21 ILE A 304 -4.134 -2.678 -8.405 1.00 0.00 H new ATOM 0 HG22 ILE A 304 -2.795 -1.751 -9.124 1.00 0.00 H new ATOM 0 HG23 ILE A 304 -2.457 -3.244 -8.215 1.00 0.00 H new ATOM 0 HD11 ILE A 304 -5.286 -3.182 -4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 304 -5.429 -1.580 -5.747 1.00 0.00 H new ATOM 0 HD13 ILE A 304 -5.273 -3.035 -6.759 1.00 0.00 H new ATOM 267 N GLN A 305 -0.858 -0.235 -8.933 1.00 0.00 N ATOM 268 CA GLN A 305 -0.058 -0.277 -10.189 1.00 0.00 C ATOM 269 C GLN A 305 1.374 0.161 -9.880 1.00 0.00 C ATOM 270 O GLN A 305 2.310 -0.229 -10.548 1.00 0.00 O ATOM 271 CB GLN A 305 -0.673 0.658 -11.237 1.00 0.00 C ATOM 272 CG GLN A 305 -0.980 2.016 -10.608 1.00 0.00 C ATOM 273 CD GLN A 305 -1.473 2.982 -11.689 1.00 0.00 C ATOM 274 OE1 GLN A 305 -0.708 3.760 -12.221 1.00 0.00 O ATOM 275 NE2 GLN A 305 -2.732 2.965 -12.035 1.00 0.00 N ATOM 0 H GLN A 305 -1.527 0.532 -8.864 1.00 0.00 H new ATOM 0 HA GLN A 305 -0.056 -1.292 -10.586 1.00 0.00 H new ATOM 0 HB2 GLN A 305 0.014 0.782 -12.074 1.00 0.00 H new ATOM 0 HB3 GLN A 305 -1.586 0.218 -11.638 1.00 0.00 H new ATOM 0 HG2 GLN A 305 -1.737 1.906 -9.832 1.00 0.00 H new ATOM 0 HG3 GLN A 305 -0.087 2.416 -10.128 1.00 0.00 H new ATOM 0 HE21 GLN A 305 -3.375 2.311 -11.588 1.00 0.00 H new ATOM 0 HE22 GLN A 305 -3.072 3.605 -12.752 1.00 0.00 H new ATOM 284 N THR A 306 1.555 0.967 -8.870 1.00 0.00 N ATOM 285 CA THR A 306 2.932 1.424 -8.523 1.00 0.00 C ATOM 286 C THR A 306 3.782 0.239 -8.059 1.00 0.00 C ATOM 287 O THR A 306 4.831 -0.022 -8.597 1.00 0.00 O ATOM 288 CB THR A 306 2.870 2.446 -7.391 1.00 0.00 C ATOM 289 OG1 THR A 306 1.951 3.475 -7.729 1.00 0.00 O ATOM 290 CG2 THR A 306 4.258 3.047 -7.165 1.00 0.00 C ATOM 0 H THR A 306 0.812 1.328 -8.271 1.00 0.00 H new ATOM 0 HA THR A 306 3.378 1.873 -9.410 1.00 0.00 H new ATOM 0 HB THR A 306 2.539 1.954 -6.477 1.00 0.00 H new ATOM 0 HG1 THR A 306 2.027 4.207 -7.082 1.00 0.00 H new ATOM 0 HG21 THR A 306 4.211 3.776 -6.356 1.00 0.00 H new ATOM 0 HG22 THR A 306 4.959 2.255 -6.900 1.00 0.00 H new ATOM 0 HG23 THR A 306 4.595 3.538 -8.078 1.00 0.00 H new ATOM 298 N LEU A 307 3.355 -0.469 -7.046 1.00 0.00 N ATOM 299 CA LEU A 307 4.175 -1.616 -6.544 1.00 0.00 C ATOM 300 C LEU A 307 4.659 -2.462 -7.726 1.00 0.00 C ATOM 301 O LEU A 307 5.802 -2.868 -7.782 1.00 0.00 O ATOM 302 CB LEU A 307 3.342 -2.510 -5.605 1.00 0.00 C ATOM 303 CG LEU A 307 3.057 -1.847 -4.234 1.00 0.00 C ATOM 304 CD1 LEU A 307 4.342 -1.299 -3.592 1.00 0.00 C ATOM 305 CD2 LEU A 307 2.038 -0.716 -4.395 1.00 0.00 C ATOM 0 H LEU A 307 2.481 -0.306 -6.546 1.00 0.00 H new ATOM 0 HA LEU A 307 5.026 -1.213 -5.996 1.00 0.00 H new ATOM 0 HB2 LEU A 307 2.396 -2.753 -6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 307 3.869 -3.450 -5.445 1.00 0.00 H new ATOM 0 HG LEU A 307 2.650 -2.614 -3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 307 4.103 -0.841 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 307 5.049 -2.115 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 307 4.787 -0.552 -4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 307 1.846 -0.258 -3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 307 2.433 0.035 -5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 307 1.108 -1.119 -4.796 1.00 0.00 H new ATOM 317 N ARG A 308 3.802 -2.730 -8.669 1.00 0.00 N ATOM 318 CA ARG A 308 4.221 -3.550 -9.842 1.00 0.00 C ATOM 319 C ARG A 308 5.442 -2.908 -10.513 1.00 0.00 C ATOM 320 O ARG A 308 6.047 -3.487 -11.391 1.00 0.00 O ATOM 321 CB ARG A 308 3.064 -3.634 -10.851 1.00 0.00 C ATOM 322 CG ARG A 308 2.072 -4.715 -10.414 1.00 0.00 C ATOM 323 CD ARG A 308 0.815 -4.638 -11.282 1.00 0.00 C ATOM 324 NE ARG A 308 1.170 -4.910 -12.703 1.00 0.00 N ATOM 325 CZ ARG A 308 0.233 -5.203 -13.563 1.00 0.00 C ATOM 326 NH1 ARG A 308 -1.012 -5.263 -13.175 1.00 0.00 N ATOM 327 NH2 ARG A 308 0.539 -5.436 -14.810 1.00 0.00 N ATOM 0 H ARG A 308 2.831 -2.418 -8.680 1.00 0.00 H new ATOM 0 HA ARG A 308 4.482 -4.553 -9.505 1.00 0.00 H new ATOM 0 HB2 ARG A 308 2.559 -2.671 -10.920 1.00 0.00 H new ATOM 0 HB3 ARG A 308 3.451 -3.863 -11.844 1.00 0.00 H new ATOM 0 HG2 ARG A 308 2.529 -5.700 -10.505 1.00 0.00 H new ATOM 0 HG3 ARG A 308 1.810 -4.580 -9.364 1.00 0.00 H new ATOM 0 HD2 ARG A 308 0.077 -5.362 -10.936 1.00 0.00 H new ATOM 0 HD3 ARG A 308 0.360 -3.652 -11.193 1.00 0.00 H new ATOM 0 HE ARG A 308 2.144 -4.867 -13.003 1.00 0.00 H new ATOM 0 HH11 ARG A 308 -1.252 -5.081 -12.200 1.00 0.00 H new ATOM 0 HH12 ARG A 308 -1.745 -5.492 -13.846 1.00 0.00 H new ATOM 0 HH21 ARG A 308 1.512 -5.389 -15.114 1.00 0.00 H new ATOM 0 HH22 ARG A 308 -0.194 -5.665 -15.481 1.00 0.00 H new ATOM 341 N GLU A 309 5.811 -1.717 -10.116 1.00 0.00 N ATOM 342 CA GLU A 309 6.990 -1.066 -10.756 1.00 0.00 C ATOM 343 C GLU A 309 8.274 -1.780 -10.325 1.00 0.00 C ATOM 344 O GLU A 309 9.203 -1.904 -11.100 1.00 0.00 O ATOM 345 CB GLU A 309 7.070 0.411 -10.350 1.00 0.00 C ATOM 346 CG GLU A 309 5.990 1.207 -11.085 1.00 0.00 C ATOM 347 CD GLU A 309 6.172 2.698 -10.799 1.00 0.00 C ATOM 348 OE1 GLU A 309 7.048 3.029 -10.018 1.00 0.00 O ATOM 349 OE2 GLU A 309 5.433 3.486 -11.368 1.00 0.00 O ATOM 0 H GLU A 309 5.352 -1.174 -9.385 1.00 0.00 H new ATOM 0 HA GLU A 309 6.879 -1.133 -11.838 1.00 0.00 H new ATOM 0 HB2 GLU A 309 6.938 0.510 -9.273 1.00 0.00 H new ATOM 0 HB3 GLU A 309 8.056 0.811 -10.588 1.00 0.00 H new ATOM 0 HG2 GLU A 309 6.053 1.021 -12.157 1.00 0.00 H new ATOM 0 HG3 GLU A 309 5.001 0.882 -10.762 1.00 0.00 H new ATOM 356 N HIS A 310 8.343 -2.246 -9.095 1.00 0.00 N ATOM 357 CA HIS A 310 9.582 -2.949 -8.620 1.00 0.00 C ATOM 358 C HIS A 310 9.230 -4.277 -7.933 1.00 0.00 C ATOM 359 O HIS A 310 8.255 -4.922 -8.266 1.00 0.00 O ATOM 360 CB HIS A 310 10.351 -2.032 -7.662 1.00 0.00 C ATOM 361 CG HIS A 310 9.663 -1.947 -6.324 1.00 0.00 C ATOM 362 ND1 HIS A 310 10.153 -2.610 -5.210 1.00 0.00 N ATOM 363 CD2 HIS A 310 8.553 -1.255 -5.889 1.00 0.00 C ATOM 364 CE1 HIS A 310 9.358 -2.306 -4.172 1.00 0.00 C ATOM 365 NE2 HIS A 310 8.366 -1.485 -4.529 1.00 0.00 N ATOM 0 H HIS A 310 7.597 -2.170 -8.403 1.00 0.00 H new ATOM 0 HA HIS A 310 10.211 -3.179 -9.480 1.00 0.00 H new ATOM 0 HB2 HIS A 310 11.366 -2.408 -7.530 1.00 0.00 H new ATOM 0 HB3 HIS A 310 10.434 -1.035 -8.096 1.00 0.00 H new ATOM 0 HD2 HIS A 310 7.925 -0.631 -6.508 1.00 0.00 H new ATOM 0 HE1 HIS A 310 9.503 -2.680 -3.169 1.00 0.00 H new ATOM 0 HE2 HIS A 310 7.630 -1.108 -3.933 1.00 0.00 H new ATOM 373 N LYS A 311 10.040 -4.699 -6.994 1.00 0.00 N ATOM 374 CA LYS A 311 9.789 -6.001 -6.299 1.00 0.00 C ATOM 375 C LYS A 311 8.729 -5.859 -5.204 1.00 0.00 C ATOM 376 O LYS A 311 9.040 -5.682 -4.044 1.00 0.00 O ATOM 377 CB LYS A 311 11.103 -6.511 -5.681 1.00 0.00 C ATOM 378 CG LYS A 311 12.285 -6.095 -6.560 1.00 0.00 C ATOM 379 CD LYS A 311 13.532 -6.901 -6.172 1.00 0.00 C ATOM 380 CE LYS A 311 13.718 -6.883 -4.650 1.00 0.00 C ATOM 381 NZ LYS A 311 15.101 -7.322 -4.310 1.00 0.00 N ATOM 0 H LYS A 311 10.869 -4.196 -6.677 1.00 0.00 H new ATOM 0 HA LYS A 311 9.418 -6.713 -7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 311 11.225 -6.106 -4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 311 11.073 -7.596 -5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 311 12.045 -6.262 -7.610 1.00 0.00 H new ATOM 0 HG3 LYS A 311 12.479 -5.029 -6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 311 13.434 -7.929 -6.522 1.00 0.00 H new ATOM 0 HD3 LYS A 311 14.412 -6.481 -6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 311 13.539 -5.880 -4.263 1.00 0.00 H new ATOM 0 HE3 LYS A 311 12.990 -7.542 -4.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 15.225 -7.309 -3.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 15.256 -8.287 -4.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 15.788 -6.677 -4.749 1.00 0.00 H new ATOM 395 N CYS A 312 7.481 -5.969 -5.555 1.00 0.00 N ATOM 396 CA CYS A 312 6.414 -5.879 -4.525 1.00 0.00 C ATOM 397 C CYS A 312 5.096 -6.365 -5.120 1.00 0.00 C ATOM 398 O CYS A 312 4.428 -5.654 -5.836 1.00 0.00 O ATOM 399 CB CYS A 312 6.255 -4.434 -4.036 1.00 0.00 C ATOM 400 SG CYS A 312 7.354 -4.141 -2.628 1.00 0.00 S ATOM 0 H CYS A 312 7.154 -6.117 -6.510 1.00 0.00 H new ATOM 0 HA CYS A 312 6.691 -6.504 -3.676 1.00 0.00 H new ATOM 0 HB2 CYS A 312 6.489 -3.739 -4.843 1.00 0.00 H new ATOM 0 HB3 CYS A 312 5.220 -4.250 -3.746 1.00 0.00 H new ATOM 0 HG CYS A 312 7.569 -5.261 -2.005 1.00 0.00 H new ATOM 406 N GLN A 313 4.717 -7.565 -4.812 1.00 0.00 N ATOM 407 CA GLN A 313 3.428 -8.096 -5.337 1.00 0.00 C ATOM 408 C GLN A 313 2.283 -7.438 -4.536 1.00 0.00 C ATOM 409 O GLN A 313 2.180 -7.645 -3.343 1.00 0.00 O ATOM 410 CB GLN A 313 3.391 -9.618 -5.139 1.00 0.00 C ATOM 411 CG GLN A 313 4.135 -10.311 -6.283 1.00 0.00 C ATOM 412 CD GLN A 313 5.599 -9.870 -6.277 1.00 0.00 C ATOM 413 OE1 GLN A 313 6.283 -9.940 -5.169 1.00 0.00 O flip ATOM 414 NE2 GLN A 313 6.126 -9.456 -7.290 1.00 0.00 N flip ATOM 0 H GLN A 313 5.242 -8.207 -4.218 1.00 0.00 H new ATOM 0 HA GLN A 313 3.322 -7.874 -6.399 1.00 0.00 H new ATOM 0 HB2 GLN A 313 3.848 -9.880 -4.185 1.00 0.00 H new ATOM 0 HB3 GLN A 313 2.358 -9.964 -5.103 1.00 0.00 H new ATOM 0 HG2 GLN A 313 4.069 -11.393 -6.171 1.00 0.00 H new ATOM 0 HG3 GLN A 313 3.672 -10.060 -7.237 1.00 0.00 H new ATOM 0 HE21 GLN A 313 5.592 -9.401 -8.157 1.00 0.00 H new ATOM 0 HE22 GLN A 313 7.103 -9.163 -7.274 1.00 0.00 H new ATOM 423 N PRO A 314 1.438 -6.635 -5.157 1.00 0.00 N ATOM 424 CA PRO A 314 0.325 -5.947 -4.436 1.00 0.00 C ATOM 425 C PRO A 314 -0.907 -6.838 -4.256 1.00 0.00 C ATOM 426 O PRO A 314 -1.221 -7.663 -5.091 1.00 0.00 O ATOM 427 CB PRO A 314 0.005 -4.770 -5.354 1.00 0.00 C ATOM 428 CG PRO A 314 0.266 -5.292 -6.730 1.00 0.00 C ATOM 429 CD PRO A 314 1.430 -6.286 -6.595 1.00 0.00 C ATOM 0 HA PRO A 314 0.607 -5.662 -3.422 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -1.030 -4.447 -5.241 1.00 0.00 H new ATOM 0 HB3 PRO A 314 0.634 -3.908 -5.130 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -0.619 -5.782 -7.136 1.00 0.00 H new ATOM 0 HG3 PRO A 314 0.523 -4.482 -7.412 1.00 0.00 H new ATOM 0 HD2 PRO A 314 1.277 -7.167 -7.219 1.00 0.00 H new ATOM 0 HD3 PRO A 314 2.375 -5.838 -6.902 1.00 0.00 H new ATOM 437 N ARG A 315 -1.611 -6.669 -3.167 1.00 0.00 N ATOM 438 CA ARG A 315 -2.830 -7.495 -2.923 1.00 0.00 C ATOM 439 C ARG A 315 -3.833 -6.694 -2.082 1.00 0.00 C ATOM 440 O ARG A 315 -3.525 -6.255 -0.992 1.00 0.00 O ATOM 441 CB ARG A 315 -2.427 -8.765 -2.159 1.00 0.00 C ATOM 442 CG ARG A 315 -1.394 -8.416 -1.054 1.00 0.00 C ATOM 443 CD ARG A 315 0.047 -8.698 -1.524 1.00 0.00 C ATOM 444 NE ARG A 315 0.413 -10.084 -1.108 1.00 0.00 N ATOM 445 CZ ARG A 315 1.486 -10.656 -1.575 1.00 0.00 C ATOM 446 NH1 ARG A 315 2.257 -10.022 -2.411 1.00 0.00 N ATOM 447 NH2 ARG A 315 1.790 -11.868 -1.202 1.00 0.00 N ATOM 0 H ARG A 315 -1.393 -5.993 -2.435 1.00 0.00 H new ATOM 0 HA ARG A 315 -3.289 -7.763 -3.875 1.00 0.00 H new ATOM 0 HB2 ARG A 315 -3.308 -9.225 -1.712 1.00 0.00 H new ATOM 0 HB3 ARG A 315 -2.002 -9.494 -2.848 1.00 0.00 H new ATOM 0 HG2 ARG A 315 -1.491 -7.365 -0.782 1.00 0.00 H new ATOM 0 HG3 ARG A 315 -1.607 -8.998 -0.157 1.00 0.00 H new ATOM 0 HD2 ARG A 315 0.120 -8.595 -2.607 1.00 0.00 H new ATOM 0 HD3 ARG A 315 0.737 -7.976 -1.087 1.00 0.00 H new ATOM 0 HE ARG A 315 -0.183 -10.588 -0.452 1.00 0.00 H new ATOM 0 HH11 ARG A 315 2.022 -9.073 -2.703 1.00 0.00 H new ATOM 0 HH12 ARG A 315 3.096 -10.474 -2.774 1.00 0.00 H new ATOM 0 HH21 ARG A 315 1.188 -12.366 -0.546 1.00 0.00 H new ATOM 0 HH22 ARG A 315 2.630 -12.318 -1.566 1.00 0.00 H new ATOM 461 N LEU A 316 -5.041 -6.515 -2.559 1.00 0.00 N ATOM 462 CA LEU A 316 -6.051 -5.769 -1.767 1.00 0.00 C ATOM 463 C LEU A 316 -6.837 -6.781 -0.943 1.00 0.00 C ATOM 464 O LEU A 316 -7.528 -7.631 -1.467 1.00 0.00 O ATOM 465 CB LEU A 316 -6.991 -5.016 -2.707 1.00 0.00 C ATOM 466 CG LEU A 316 -7.637 -3.844 -1.965 1.00 0.00 C ATOM 467 CD1 LEU A 316 -8.550 -3.086 -2.926 1.00 0.00 C ATOM 468 CD2 LEU A 316 -8.454 -4.363 -0.779 1.00 0.00 C ATOM 0 H LEU A 316 -5.365 -6.856 -3.464 1.00 0.00 H new ATOM 0 HA LEU A 316 -5.566 -5.044 -1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 316 -6.438 -4.650 -3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 316 -7.761 -5.690 -3.082 1.00 0.00 H new ATOM 0 HG LEU A 316 -6.859 -3.177 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 316 -9.014 -2.249 -2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 316 -7.964 -2.710 -3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 316 -9.325 -3.757 -3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 316 -8.911 -3.523 -0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 316 -9.234 -5.033 -1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 316 -7.800 -4.904 -0.095 1.00 0.00 H new ATOM 480 N LEU A 317 -6.717 -6.694 0.342 1.00 0.00 N ATOM 481 CA LEU A 317 -7.426 -7.643 1.255 1.00 0.00 C ATOM 482 C LEU A 317 -8.583 -6.905 1.906 1.00 0.00 C ATOM 483 O LEU A 317 -9.118 -6.010 1.300 1.00 0.00 O ATOM 484 CB LEU A 317 -6.442 -8.141 2.313 1.00 0.00 C ATOM 485 CG LEU A 317 -5.121 -8.503 1.628 1.00 0.00 C ATOM 486 CD1 LEU A 317 -4.150 -9.087 2.650 1.00 0.00 C ATOM 487 CD2 LEU A 317 -5.383 -9.535 0.528 1.00 0.00 C ATOM 0 H LEU A 317 -6.148 -5.994 0.817 1.00 0.00 H new ATOM 0 HA LEU A 317 -7.811 -8.501 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 317 -6.277 -7.371 3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 317 -6.850 -9.010 2.829 1.00 0.00 H new ATOM 0 HG LEU A 317 -4.686 -7.604 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 317 -3.212 -9.342 2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 317 -3.960 -8.352 3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 317 -4.583 -9.984 3.092 1.00 0.00 H new ATOM 0 HD21 LEU A 317 -4.443 -9.793 0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 317 -5.822 -10.431 0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 317 -6.071 -9.117 -0.207 1.00 0.00 H new ATOM 499 N TYR A 318 -8.956 -7.287 3.121 1.00 0.00 N ATOM 500 CA TYR A 318 -10.095 -6.637 3.887 1.00 0.00 C ATOM 501 C TYR A 318 -10.643 -5.399 3.143 1.00 0.00 C ATOM 502 O TYR A 318 -9.875 -4.675 2.563 1.00 0.00 O ATOM 503 CB TYR A 318 -9.553 -6.209 5.265 1.00 0.00 C ATOM 504 CG TYR A 318 -10.638 -6.271 6.312 1.00 0.00 C ATOM 505 CD1 TYR A 318 -11.002 -7.500 6.868 1.00 0.00 C ATOM 506 CD2 TYR A 318 -11.281 -5.096 6.722 1.00 0.00 C ATOM 507 CE1 TYR A 318 -12.012 -7.559 7.835 1.00 0.00 C ATOM 508 CE2 TYR A 318 -12.290 -5.153 7.690 1.00 0.00 C ATOM 509 CZ TYR A 318 -12.656 -6.385 8.247 1.00 0.00 C ATOM 510 OH TYR A 318 -13.652 -6.440 9.200 1.00 0.00 O ATOM 0 H TYR A 318 -8.503 -8.047 3.629 1.00 0.00 H new ATOM 0 HA TYR A 318 -10.913 -7.350 3.988 1.00 0.00 H new ATOM 0 HB2 TYR A 318 -8.726 -6.858 5.553 1.00 0.00 H new ATOM 0 HB3 TYR A 318 -9.156 -5.195 5.206 1.00 0.00 H new ATOM 0 HD1 TYR A 318 -10.504 -8.405 6.552 1.00 0.00 H new ATOM 0 HD2 TYR A 318 -10.998 -4.147 6.291 1.00 0.00 H new ATOM 0 HE1 TYR A 318 -12.295 -8.509 8.263 1.00 0.00 H new ATOM 0 HE2 TYR A 318 -12.786 -4.248 8.007 1.00 0.00 H new ATOM 0 HH TYR A 318 -13.992 -5.537 9.371 1.00 0.00 H new ATOM 520 N PRO A 319 -11.944 -5.158 3.151 1.00 0.00 N ATOM 521 CA PRO A 319 -12.576 -4.008 2.445 1.00 0.00 C ATOM 522 C PRO A 319 -11.633 -2.833 2.156 1.00 0.00 C ATOM 523 O PRO A 319 -11.876 -2.047 1.263 1.00 0.00 O ATOM 524 CB PRO A 319 -13.686 -3.629 3.410 1.00 0.00 C ATOM 525 CG PRO A 319 -14.189 -4.954 3.907 1.00 0.00 C ATOM 526 CD PRO A 319 -12.992 -5.934 3.840 1.00 0.00 C ATOM 0 HA PRO A 319 -12.911 -4.273 1.442 1.00 0.00 H new ATOM 0 HB2 PRO A 319 -13.314 -3.010 4.226 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -14.473 -3.062 2.913 1.00 0.00 H new ATOM 0 HG2 PRO A 319 -14.563 -4.869 4.927 1.00 0.00 H new ATOM 0 HG3 PRO A 319 -15.016 -5.310 3.293 1.00 0.00 H new ATOM 0 HD2 PRO A 319 -12.672 -6.244 4.835 1.00 0.00 H new ATOM 0 HD3 PRO A 319 -13.246 -6.840 3.290 1.00 0.00 H new ATOM 534 N ALA A 320 -10.546 -2.720 2.863 1.00 0.00 N ATOM 535 CA ALA A 320 -9.600 -1.617 2.567 1.00 0.00 C ATOM 536 C ALA A 320 -8.228 -1.889 3.203 1.00 0.00 C ATOM 537 O ALA A 320 -7.607 -0.979 3.718 1.00 0.00 O ATOM 538 CB ALA A 320 -10.167 -0.307 3.109 1.00 0.00 C ATOM 0 H ALA A 320 -10.275 -3.339 3.627 1.00 0.00 H new ATOM 0 HA ALA A 320 -9.470 -1.547 1.487 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -9.474 0.506 2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -11.127 -0.102 2.634 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -10.306 -0.389 4.187 1.00 0.00 H new ATOM 544 N LYS A 321 -7.726 -3.114 3.159 1.00 0.00 N ATOM 545 CA LYS A 321 -6.368 -3.383 3.757 1.00 0.00 C ATOM 546 C LYS A 321 -5.373 -3.645 2.624 1.00 0.00 C ATOM 547 O LYS A 321 -5.631 -4.429 1.733 1.00 0.00 O ATOM 548 CB LYS A 321 -6.432 -4.589 4.700 1.00 0.00 C ATOM 549 CG LYS A 321 -5.017 -4.923 5.212 1.00 0.00 C ATOM 550 CD LYS A 321 -5.078 -5.620 6.583 1.00 0.00 C ATOM 551 CE LYS A 321 -5.569 -7.059 6.418 1.00 0.00 C ATOM 552 NZ LYS A 321 -5.886 -7.631 7.757 1.00 0.00 N ATOM 0 H LYS A 321 -8.189 -3.922 2.743 1.00 0.00 H new ATOM 0 HA LYS A 321 -6.044 -2.518 4.335 1.00 0.00 H new ATOM 0 HB2 LYS A 321 -7.091 -4.371 5.540 1.00 0.00 H new ATOM 0 HB3 LYS A 321 -6.853 -5.449 4.179 1.00 0.00 H new ATOM 0 HG2 LYS A 321 -4.509 -5.568 4.494 1.00 0.00 H new ATOM 0 HG3 LYS A 321 -4.429 -4.008 5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 321 -4.092 -5.615 7.047 1.00 0.00 H new ATOM 0 HD3 LYS A 321 -5.746 -5.073 7.248 1.00 0.00 H new ATOM 0 HE2 LYS A 321 -6.454 -7.082 5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 321 -4.806 -7.661 5.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 -6.220 -8.610 7.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 -5.031 -7.622 8.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 -6.628 -7.061 8.211 1.00 0.00 H new ATOM 566 N LEU A 322 -4.248 -2.961 2.635 1.00 0.00 N ATOM 567 CA LEU A 322 -3.237 -3.128 1.535 1.00 0.00 C ATOM 568 C LEU A 322 -1.992 -3.860 2.048 1.00 0.00 C ATOM 569 O LEU A 322 -1.346 -3.435 2.985 1.00 0.00 O ATOM 570 CB LEU A 322 -2.861 -1.722 1.034 1.00 0.00 C ATOM 571 CG LEU A 322 -2.288 -1.751 -0.398 1.00 0.00 C ATOM 572 CD1 LEU A 322 -0.979 -2.542 -0.420 1.00 0.00 C ATOM 573 CD2 LEU A 322 -3.301 -2.369 -1.389 1.00 0.00 C ATOM 0 H LEU A 322 -3.986 -2.293 3.360 1.00 0.00 H new ATOM 0 HA LEU A 322 -3.657 -3.725 0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 322 -3.742 -1.081 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 322 -2.127 -1.281 1.709 1.00 0.00 H new ATOM 0 HG LEU A 322 -2.093 -0.725 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 322 -0.581 -2.558 -1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 322 -0.257 -2.069 0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 322 -1.165 -3.563 -0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 322 -2.871 -2.377 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 322 -3.531 -3.390 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 322 -4.216 -1.776 -1.391 1.00 0.00 H new ATOM 585 N SER A 323 -1.653 -4.962 1.416 1.00 0.00 N ATOM 586 CA SER A 323 -0.450 -5.757 1.821 1.00 0.00 C ATOM 587 C SER A 323 0.575 -5.750 0.681 1.00 0.00 C ATOM 588 O SER A 323 0.224 -5.728 -0.484 1.00 0.00 O ATOM 589 CB SER A 323 -0.884 -7.202 2.109 1.00 0.00 C ATOM 590 OG SER A 323 0.174 -8.090 1.774 1.00 0.00 O ATOM 0 H SER A 323 -2.168 -5.348 0.625 1.00 0.00 H new ATOM 0 HA SER A 323 -0.000 -5.320 2.712 1.00 0.00 H new ATOM 0 HB2 SER A 323 -1.146 -7.312 3.161 1.00 0.00 H new ATOM 0 HB3 SER A 323 -1.775 -7.447 1.532 1.00 0.00 H new ATOM 0 HG SER A 323 -0.102 -9.012 1.959 1.00 0.00 H new ATOM 596 N ILE A 324 1.844 -5.766 1.012 1.00 0.00 N ATOM 597 CA ILE A 324 2.906 -5.755 -0.035 1.00 0.00 C ATOM 598 C ILE A 324 4.100 -6.596 0.422 1.00 0.00 C ATOM 599 O ILE A 324 4.363 -6.739 1.601 1.00 0.00 O ATOM 600 CB ILE A 324 3.381 -4.329 -0.279 1.00 0.00 C ATOM 601 CG1 ILE A 324 3.732 -3.649 1.060 1.00 0.00 C ATOM 602 CG2 ILE A 324 2.284 -3.542 -0.991 1.00 0.00 C ATOM 603 CD1 ILE A 324 4.777 -2.558 0.822 1.00 0.00 C ATOM 0 H ILE A 324 2.189 -5.786 1.972 1.00 0.00 H new ATOM 0 HA ILE A 324 2.491 -6.170 -0.953 1.00 0.00 H new ATOM 0 HB ILE A 324 4.274 -4.351 -0.904 1.00 0.00 H new ATOM 0 HG12 ILE A 324 2.836 -3.218 1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 324 4.116 -4.387 1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 324 2.624 -2.521 -1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 324 2.056 -4.017 -1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 324 1.388 -3.525 -0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 324 5.024 -2.078 1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 324 5.676 -3.002 0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 324 4.377 -1.815 0.132 1.00 0.00 H new ATOM 615 N THR A 325 4.822 -7.154 -0.512 1.00 0.00 N ATOM 616 CA THR A 325 6.006 -7.998 -0.166 1.00 0.00 C ATOM 617 C THR A 325 7.299 -7.180 -0.314 1.00 0.00 C ATOM 618 O THR A 325 7.492 -6.483 -1.288 1.00 0.00 O ATOM 619 CB THR A 325 6.049 -9.199 -1.116 1.00 0.00 C ATOM 620 OG1 THR A 325 4.916 -10.023 -0.878 1.00 0.00 O ATOM 621 CG2 THR A 325 7.328 -10.005 -0.878 1.00 0.00 C ATOM 0 H THR A 325 4.641 -7.061 -1.512 1.00 0.00 H new ATOM 0 HA THR A 325 5.922 -8.339 0.866 1.00 0.00 H new ATOM 0 HB THR A 325 6.038 -8.846 -2.147 1.00 0.00 H new ATOM 0 HG1 THR A 325 4.938 -10.792 -1.485 1.00 0.00 H new ATOM 0 HG21 THR A 325 7.352 -10.858 -1.557 1.00 0.00 H new ATOM 0 HG22 THR A 325 8.196 -9.372 -1.060 1.00 0.00 H new ATOM 0 HG23 THR A 325 7.348 -10.361 0.152 1.00 0.00 H new ATOM 629 N ILE A 326 8.189 -7.272 0.647 1.00 0.00 N ATOM 630 CA ILE A 326 9.480 -6.513 0.571 1.00 0.00 C ATOM 631 C ILE A 326 10.619 -7.418 1.061 1.00 0.00 C ATOM 632 O ILE A 326 10.659 -7.813 2.209 1.00 0.00 O ATOM 633 CB ILE A 326 9.395 -5.264 1.460 1.00 0.00 C ATOM 634 CG1 ILE A 326 8.451 -4.243 0.818 1.00 0.00 C ATOM 635 CG2 ILE A 326 10.787 -4.639 1.614 1.00 0.00 C ATOM 636 CD1 ILE A 326 8.152 -3.129 1.821 1.00 0.00 C ATOM 0 H ILE A 326 8.076 -7.843 1.485 1.00 0.00 H new ATOM 0 HA ILE A 326 9.669 -6.207 -0.458 1.00 0.00 H new ATOM 0 HB ILE A 326 9.016 -5.549 2.441 1.00 0.00 H new ATOM 0 HG12 ILE A 326 8.905 -3.826 -0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 326 7.525 -4.730 0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 326 10.720 -3.753 2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 326 11.462 -5.362 2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 326 11.170 -4.357 0.633 1.00 0.00 H new ATOM 0 HD11 ILE A 326 7.480 -2.401 1.366 1.00 0.00 H new ATOM 0 HD12 ILE A 326 7.681 -3.554 2.707 1.00 0.00 H new ATOM 0 HD13 ILE A 326 9.082 -2.637 2.106 1.00 0.00 H new ATOM 648 N ASP A 327 11.541 -7.744 0.188 1.00 0.00 N ATOM 649 CA ASP A 327 12.690 -8.627 0.570 1.00 0.00 C ATOM 650 C ASP A 327 12.209 -9.757 1.481 1.00 0.00 C ATOM 651 O ASP A 327 12.944 -10.259 2.307 1.00 0.00 O ATOM 652 CB ASP A 327 13.772 -7.803 1.284 1.00 0.00 C ATOM 653 CG ASP A 327 13.269 -7.322 2.652 1.00 0.00 C ATOM 654 OD1 ASP A 327 12.754 -8.136 3.400 1.00 0.00 O ATOM 655 OD2 ASP A 327 13.423 -6.146 2.932 1.00 0.00 O ATOM 0 H ASP A 327 11.547 -7.433 -0.783 1.00 0.00 H new ATOM 0 HA ASP A 327 13.114 -9.062 -0.335 1.00 0.00 H new ATOM 0 HB2 ASP A 327 14.671 -8.406 1.412 1.00 0.00 H new ATOM 0 HB3 ASP A 327 14.048 -6.946 0.670 1.00 0.00 H new ATOM 660 N GLY A 328 10.974 -10.154 1.339 1.00 0.00 N ATOM 661 CA GLY A 328 10.427 -11.248 2.197 1.00 0.00 C ATOM 662 C GLY A 328 9.661 -10.635 3.369 1.00 0.00 C ATOM 663 O GLY A 328 8.545 -11.018 3.658 1.00 0.00 O ATOM 0 H GLY A 328 10.316 -9.767 0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 328 9.768 -11.889 1.612 1.00 0.00 H new ATOM 0 HA3 GLY A 328 11.238 -11.876 2.566 1.00 0.00 H new ATOM 667 N GLU A 329 10.243 -9.679 4.046 1.00 0.00 N ATOM 668 CA GLU A 329 9.528 -9.052 5.190 1.00 0.00 C ATOM 669 C GLU A 329 8.177 -8.535 4.691 1.00 0.00 C ATOM 670 O GLU A 329 8.098 -7.587 3.934 1.00 0.00 O ATOM 671 CB GLU A 329 10.371 -7.891 5.767 1.00 0.00 C ATOM 672 CG GLU A 329 10.904 -8.255 7.160 1.00 0.00 C ATOM 673 CD GLU A 329 11.606 -7.042 7.775 1.00 0.00 C ATOM 674 OE1 GLU A 329 12.007 -6.170 7.021 1.00 0.00 O ATOM 675 OE2 GLU A 329 11.730 -7.005 8.988 1.00 0.00 O ATOM 0 H GLU A 329 11.175 -9.310 3.856 1.00 0.00 H new ATOM 0 HA GLU A 329 9.371 -9.784 5.982 1.00 0.00 H new ATOM 0 HB2 GLU A 329 11.203 -7.671 5.099 1.00 0.00 H new ATOM 0 HB3 GLU A 329 9.764 -6.988 5.828 1.00 0.00 H new ATOM 0 HG2 GLU A 329 10.084 -8.577 7.802 1.00 0.00 H new ATOM 0 HG3 GLU A 329 11.599 -9.092 7.087 1.00 0.00 H new ATOM 682 N THR A 330 7.120 -9.156 5.115 1.00 0.00 N ATOM 683 CA THR A 330 5.763 -8.719 4.680 1.00 0.00 C ATOM 684 C THR A 330 5.253 -7.633 5.622 1.00 0.00 C ATOM 685 O THR A 330 5.370 -7.738 6.827 1.00 0.00 O ATOM 686 CB THR A 330 4.805 -9.914 4.707 1.00 0.00 C ATOM 687 OG1 THR A 330 5.421 -11.024 4.069 1.00 0.00 O ATOM 688 CG2 THR A 330 3.511 -9.554 3.974 1.00 0.00 C ATOM 0 H THR A 330 7.133 -9.955 5.749 1.00 0.00 H new ATOM 0 HA THR A 330 5.817 -8.324 3.666 1.00 0.00 H new ATOM 0 HB THR A 330 4.572 -10.170 5.741 1.00 0.00 H new ATOM 0 HG1 THR A 330 4.811 -11.791 4.086 1.00 0.00 H new ATOM 0 HG21 THR A 330 2.832 -10.406 3.995 1.00 0.00 H new ATOM 0 HG22 THR A 330 3.040 -8.702 4.465 1.00 0.00 H new ATOM 0 HG23 THR A 330 3.738 -9.297 2.939 1.00 0.00 H new ATOM 696 N LYS A 331 4.672 -6.596 5.080 1.00 0.00 N ATOM 697 CA LYS A 331 4.127 -5.494 5.924 1.00 0.00 C ATOM 698 C LYS A 331 2.738 -5.160 5.391 1.00 0.00 C ATOM 699 O LYS A 331 2.481 -5.275 4.209 1.00 0.00 O ATOM 700 CB LYS A 331 5.048 -4.265 5.830 1.00 0.00 C ATOM 701 CG LYS A 331 4.838 -3.343 7.045 1.00 0.00 C ATOM 702 CD LYS A 331 5.348 -4.014 8.342 1.00 0.00 C ATOM 703 CE LYS A 331 5.858 -2.948 9.319 1.00 0.00 C ATOM 704 NZ LYS A 331 7.206 -2.481 8.886 1.00 0.00 N ATOM 0 H LYS A 331 4.551 -6.465 4.076 1.00 0.00 H new ATOM 0 HA LYS A 331 4.070 -5.793 6.971 1.00 0.00 H new ATOM 0 HB2 LYS A 331 6.089 -4.585 5.784 1.00 0.00 H new ATOM 0 HB3 LYS A 331 4.842 -3.718 4.910 1.00 0.00 H new ATOM 0 HG2 LYS A 331 5.364 -2.401 6.887 1.00 0.00 H new ATOM 0 HG3 LYS A 331 3.779 -3.104 7.146 1.00 0.00 H new ATOM 0 HD2 LYS A 331 4.545 -4.588 8.804 1.00 0.00 H new ATOM 0 HD3 LYS A 331 6.148 -4.716 8.107 1.00 0.00 H new ATOM 0 HE2 LYS A 331 5.164 -2.108 9.352 1.00 0.00 H new ATOM 0 HE3 LYS A 331 5.910 -3.359 10.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 7.645 -1.931 9.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 7.803 -3.303 8.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 7.111 -1.883 8.041 1.00 0.00 H new ATOM 718 N VAL A 332 1.830 -4.772 6.244 1.00 0.00 N ATOM 719 CA VAL A 332 0.448 -4.461 5.772 1.00 0.00 C ATOM 720 C VAL A 332 -0.087 -3.235 6.502 1.00 0.00 C ATOM 721 O VAL A 332 0.313 -2.933 7.609 1.00 0.00 O ATOM 722 CB VAL A 332 -0.445 -5.670 6.041 1.00 0.00 C ATOM 723 CG1 VAL A 332 -1.789 -5.463 5.356 1.00 0.00 C ATOM 724 CG2 VAL A 332 0.221 -6.928 5.474 1.00 0.00 C ATOM 0 H VAL A 332 1.983 -4.657 7.246 1.00 0.00 H new ATOM 0 HA VAL A 332 0.459 -4.246 4.703 1.00 0.00 H new ATOM 0 HB VAL A 332 -0.593 -5.785 7.115 1.00 0.00 H new ATOM 0 HG11 VAL A 332 -2.430 -6.324 5.545 1.00 0.00 H new ATOM 0 HG12 VAL A 332 -2.263 -4.564 5.749 1.00 0.00 H new ATOM 0 HG13 VAL A 332 -1.637 -5.353 4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 332 -0.414 -7.793 5.664 1.00 0.00 H new ATOM 0 HG22 VAL A 332 0.363 -6.812 4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 332 1.188 -7.075 5.954 1.00 0.00 H new ATOM 734 N PHE A 333 -0.977 -2.510 5.872 1.00 0.00 N ATOM 735 CA PHE A 333 -1.531 -1.276 6.502 1.00 0.00 C ATOM 736 C PHE A 333 -3.033 -1.183 6.227 1.00 0.00 C ATOM 737 O PHE A 333 -3.518 -1.654 5.218 1.00 0.00 O ATOM 738 CB PHE A 333 -0.804 -0.067 5.909 1.00 0.00 C ATOM 739 CG PHE A 333 0.644 -0.432 5.684 1.00 0.00 C ATOM 740 CD1 PHE A 333 1.026 -1.063 4.495 1.00 0.00 C ATOM 741 CD2 PHE A 333 1.604 -0.145 6.662 1.00 0.00 C ATOM 742 CE1 PHE A 333 2.364 -1.403 4.282 1.00 0.00 C ATOM 743 CE2 PHE A 333 2.944 -0.492 6.449 1.00 0.00 C ATOM 744 CZ PHE A 333 3.322 -1.120 5.257 1.00 0.00 C ATOM 0 H PHE A 333 -1.344 -2.722 4.944 1.00 0.00 H new ATOM 0 HA PHE A 333 -1.383 -1.302 7.582 1.00 0.00 H new ATOM 0 HB2 PHE A 333 -1.269 0.229 4.969 1.00 0.00 H new ATOM 0 HB3 PHE A 333 -0.878 0.786 6.584 1.00 0.00 H new ATOM 0 HD1 PHE A 333 0.286 -1.287 3.741 1.00 0.00 H new ATOM 0 HD2 PHE A 333 1.311 0.343 7.580 1.00 0.00 H new ATOM 0 HE1 PHE A 333 2.658 -1.886 3.362 1.00 0.00 H new ATOM 0 HE2 PHE A 333 3.685 -0.275 7.204 1.00 0.00 H new ATOM 0 HZ PHE A 333 4.356 -1.386 5.091 1.00 0.00 H new ATOM 754 N HIS A 334 -3.774 -0.587 7.130 1.00 0.00 N ATOM 755 CA HIS A 334 -5.254 -0.467 6.945 1.00 0.00 C ATOM 756 C HIS A 334 -5.620 0.955 6.494 1.00 0.00 C ATOM 757 O HIS A 334 -6.440 1.138 5.617 1.00 0.00 O ATOM 758 CB HIS A 334 -5.948 -0.784 8.284 1.00 0.00 C ATOM 759 CG HIS A 334 -7.349 -1.282 8.035 1.00 0.00 C ATOM 760 ND1 HIS A 334 -8.190 -0.688 7.107 1.00 0.00 N ATOM 761 CD2 HIS A 334 -8.063 -2.323 8.576 1.00 0.00 C ATOM 762 CE1 HIS A 334 -9.350 -1.371 7.115 1.00 0.00 C ATOM 763 NE2 HIS A 334 -9.325 -2.378 7.993 1.00 0.00 N ATOM 0 H HIS A 334 -3.415 -0.176 7.992 1.00 0.00 H new ATOM 0 HA HIS A 334 -5.583 -1.169 6.179 1.00 0.00 H new ATOM 0 HB2 HIS A 334 -5.378 -1.536 8.829 1.00 0.00 H new ATOM 0 HB3 HIS A 334 -5.977 0.109 8.908 1.00 0.00 H new ATOM 0 HD1 HIS A 334 -7.970 0.120 6.524 1.00 0.00 H new ATOM 0 HD2 HIS A 334 -7.700 -2.997 9.338 1.00 0.00 H new ATOM 0 HE1 HIS A 334 -10.197 -1.134 6.488 1.00 0.00 H new ATOM 771 N ASP A 335 -5.030 1.964 7.094 1.00 0.00 N ATOM 772 CA ASP A 335 -5.358 3.377 6.707 1.00 0.00 C ATOM 773 C ASP A 335 -4.256 3.951 5.810 1.00 0.00 C ATOM 774 O ASP A 335 -3.205 3.365 5.646 1.00 0.00 O ATOM 775 CB ASP A 335 -5.482 4.230 7.971 1.00 0.00 C ATOM 776 CG ASP A 335 -4.211 4.098 8.810 1.00 0.00 C ATOM 777 OD1 ASP A 335 -3.231 4.742 8.472 1.00 0.00 O ATOM 778 OD2 ASP A 335 -4.238 3.356 9.779 1.00 0.00 O ATOM 0 H ASP A 335 -4.335 1.871 7.835 1.00 0.00 H new ATOM 0 HA ASP A 335 -6.300 3.387 6.159 1.00 0.00 H new ATOM 0 HB2 ASP A 335 -5.645 5.274 7.702 1.00 0.00 H new ATOM 0 HB3 ASP A 335 -6.347 3.912 8.552 1.00 0.00 H new ATOM 783 N LYS A 336 -4.498 5.097 5.222 1.00 0.00 N ATOM 784 CA LYS A 336 -3.478 5.719 4.324 1.00 0.00 C ATOM 785 C LYS A 336 -2.371 6.374 5.148 1.00 0.00 C ATOM 786 O LYS A 336 -1.258 6.529 4.687 1.00 0.00 O ATOM 787 CB LYS A 336 -4.146 6.778 3.448 1.00 0.00 C ATOM 788 CG LYS A 336 -4.777 7.856 4.333 1.00 0.00 C ATOM 789 CD LYS A 336 -5.608 8.817 3.471 1.00 0.00 C ATOM 790 CE LYS A 336 -4.690 9.710 2.624 1.00 0.00 C ATOM 791 NZ LYS A 336 -4.246 8.966 1.413 1.00 0.00 N ATOM 0 H LYS A 336 -5.362 5.630 5.326 1.00 0.00 H new ATOM 0 HA LYS A 336 -3.042 4.940 3.698 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -3.412 7.227 2.779 1.00 0.00 H new ATOM 0 HB3 LYS A 336 -4.909 6.317 2.820 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -5.410 7.393 5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -3.999 8.407 4.861 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -6.273 8.249 2.821 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -6.238 9.436 4.110 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -5.218 10.618 2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -3.825 10.019 3.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -3.256 8.671 1.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -4.845 8.126 1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -4.327 9.581 0.578 1.00 0.00 H new ATOM 805 N THR A 337 -2.656 6.767 6.355 1.00 0.00 N ATOM 806 CA THR A 337 -1.600 7.413 7.179 1.00 0.00 C ATOM 807 C THR A 337 -0.498 6.403 7.471 1.00 0.00 C ATOM 808 O THR A 337 0.652 6.616 7.145 1.00 0.00 O ATOM 809 CB THR A 337 -2.198 7.905 8.499 1.00 0.00 C ATOM 810 OG1 THR A 337 -3.254 8.817 8.231 1.00 0.00 O ATOM 811 CG2 THR A 337 -1.113 8.600 9.324 1.00 0.00 C ATOM 0 H THR A 337 -3.567 6.670 6.804 1.00 0.00 H new ATOM 0 HA THR A 337 -1.188 8.261 6.632 1.00 0.00 H new ATOM 0 HB THR A 337 -2.589 7.056 9.060 1.00 0.00 H new ATOM 0 HG1 THR A 337 -3.638 9.131 9.076 1.00 0.00 H new ATOM 0 HG21 THR A 337 -1.539 8.950 10.264 1.00 0.00 H new ATOM 0 HG22 THR A 337 -0.307 7.896 9.531 1.00 0.00 H new ATOM 0 HG23 THR A 337 -0.719 9.449 8.765 1.00 0.00 H new ATOM 819 N LYS A 338 -0.833 5.308 8.085 1.00 0.00 N ATOM 820 CA LYS A 338 0.203 4.295 8.394 1.00 0.00 C ATOM 821 C LYS A 338 0.962 3.944 7.108 1.00 0.00 C ATOM 822 O LYS A 338 2.167 3.798 7.114 1.00 0.00 O ATOM 823 CB LYS A 338 -0.488 3.058 8.982 1.00 0.00 C ATOM 824 CG LYS A 338 0.452 2.310 9.931 1.00 0.00 C ATOM 825 CD LYS A 338 -0.355 1.255 10.680 1.00 0.00 C ATOM 826 CE LYS A 338 0.547 0.533 11.684 1.00 0.00 C ATOM 827 NZ LYS A 338 -0.165 -0.658 12.229 1.00 0.00 N ATOM 0 H LYS A 338 -1.779 5.072 8.386 1.00 0.00 H new ATOM 0 HA LYS A 338 0.919 4.679 9.120 1.00 0.00 H new ATOM 0 HB2 LYS A 338 -1.389 3.359 9.517 1.00 0.00 H new ATOM 0 HB3 LYS A 338 -0.803 2.394 8.177 1.00 0.00 H new ATOM 0 HG2 LYS A 338 1.261 1.841 9.371 1.00 0.00 H new ATOM 0 HG3 LYS A 338 0.912 3.005 10.634 1.00 0.00 H new ATOM 0 HD2 LYS A 338 -1.191 1.723 11.199 1.00 0.00 H new ATOM 0 HD3 LYS A 338 -0.778 0.539 9.976 1.00 0.00 H new ATOM 0 HE2 LYS A 338 1.474 0.225 11.200 1.00 0.00 H new ATOM 0 HE3 LYS A 338 0.820 1.209 12.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 338 0.449 -1.148 12.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 338 -1.038 -0.353 12.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 338 -0.404 -1.306 11.451 1.00 0.00 H new ATOM 841 N PHE A 339 0.275 3.824 6.002 1.00 0.00 N ATOM 842 CA PHE A 339 0.983 3.504 4.728 1.00 0.00 C ATOM 843 C PHE A 339 1.944 4.646 4.398 1.00 0.00 C ATOM 844 O PHE A 339 3.139 4.470 4.336 1.00 0.00 O ATOM 845 CB PHE A 339 -0.015 3.336 3.580 1.00 0.00 C ATOM 846 CG PHE A 339 0.729 2.840 2.360 1.00 0.00 C ATOM 847 CD1 PHE A 339 1.348 3.752 1.499 1.00 0.00 C ATOM 848 CD2 PHE A 339 0.819 1.468 2.103 1.00 0.00 C ATOM 849 CE1 PHE A 339 2.052 3.292 0.379 1.00 0.00 C ATOM 850 CE2 PHE A 339 1.528 1.005 0.986 1.00 0.00 C ATOM 851 CZ PHE A 339 2.145 1.916 0.122 1.00 0.00 C ATOM 0 H PHE A 339 -0.736 3.933 5.926 1.00 0.00 H new ATOM 0 HA PHE A 339 1.530 2.569 4.851 1.00 0.00 H new ATOM 0 HB2 PHE A 339 -0.797 2.630 3.859 1.00 0.00 H new ATOM 0 HB3 PHE A 339 -0.506 4.285 3.364 1.00 0.00 H new ATOM 0 HD1 PHE A 339 1.283 4.812 1.698 1.00 0.00 H new ATOM 0 HD2 PHE A 339 0.341 0.763 2.767 1.00 0.00 H new ATOM 0 HE1 PHE A 339 2.524 3.998 -0.288 1.00 0.00 H new ATOM 0 HE2 PHE A 339 1.598 -0.055 0.792 1.00 0.00 H new ATOM 0 HZ PHE A 339 2.691 1.561 -0.740 1.00 0.00 H new ATOM 861 N THR A 340 1.438 5.826 4.185 1.00 0.00 N ATOM 862 CA THR A 340 2.354 6.962 3.868 1.00 0.00 C ATOM 863 C THR A 340 3.480 7.010 4.906 1.00 0.00 C ATOM 864 O THR A 340 4.644 7.108 4.570 1.00 0.00 O ATOM 865 CB THR A 340 1.572 8.277 3.899 1.00 0.00 C ATOM 866 OG1 THR A 340 0.452 8.182 3.031 1.00 0.00 O ATOM 867 CG2 THR A 340 2.478 9.423 3.444 1.00 0.00 C ATOM 0 H THR A 340 0.445 6.055 4.215 1.00 0.00 H new ATOM 0 HA THR A 340 2.779 6.820 2.874 1.00 0.00 H new ATOM 0 HB THR A 340 1.228 8.471 4.915 1.00 0.00 H new ATOM 0 HG1 THR A 340 -0.284 7.731 3.495 1.00 0.00 H new ATOM 0 HG21 THR A 340 1.920 10.359 3.467 1.00 0.00 H new ATOM 0 HG22 THR A 340 3.336 9.496 4.112 1.00 0.00 H new ATOM 0 HG23 THR A 340 2.825 9.232 2.428 1.00 0.00 H new ATOM 875 N GLN A 341 3.141 6.938 6.162 1.00 0.00 N ATOM 876 CA GLN A 341 4.184 6.974 7.228 1.00 0.00 C ATOM 877 C GLN A 341 5.131 5.791 7.057 1.00 0.00 C ATOM 878 O GLN A 341 6.325 5.925 7.215 1.00 0.00 O ATOM 879 CB GLN A 341 3.512 6.906 8.602 1.00 0.00 C ATOM 880 CG GLN A 341 2.845 8.250 8.906 1.00 0.00 C ATOM 881 CD GLN A 341 3.917 9.305 9.188 1.00 0.00 C ATOM 882 OE1 GLN A 341 3.906 10.371 8.605 1.00 0.00 O ATOM 883 NE2 GLN A 341 4.850 9.052 10.066 1.00 0.00 N ATOM 0 H GLN A 341 2.182 6.855 6.499 1.00 0.00 H new ATOM 0 HA GLN A 341 4.752 7.901 7.150 1.00 0.00 H new ATOM 0 HB2 GLN A 341 2.771 6.107 8.618 1.00 0.00 H new ATOM 0 HB3 GLN A 341 4.250 6.671 9.369 1.00 0.00 H new ATOM 0 HG2 GLN A 341 2.229 8.560 8.062 1.00 0.00 H new ATOM 0 HG3 GLN A 341 2.182 8.152 9.766 1.00 0.00 H new ATOM 0 HE21 GLN A 341 4.860 8.157 10.556 1.00 0.00 H new ATOM 0 HE22 GLN A 341 5.569 9.749 10.262 1.00 0.00 H new ATOM 892 N TYR A 342 4.618 4.634 6.721 1.00 0.00 N ATOM 893 CA TYR A 342 5.517 3.458 6.535 1.00 0.00 C ATOM 894 C TYR A 342 6.673 3.871 5.620 1.00 0.00 C ATOM 895 O TYR A 342 7.808 3.495 5.819 1.00 0.00 O ATOM 896 CB TYR A 342 4.743 2.291 5.914 1.00 0.00 C ATOM 897 CG TYR A 342 5.699 1.180 5.539 1.00 0.00 C ATOM 898 CD1 TYR A 342 6.527 0.605 6.511 1.00 0.00 C ATOM 899 CD2 TYR A 342 5.758 0.725 4.216 1.00 0.00 C ATOM 900 CE1 TYR A 342 7.411 -0.421 6.161 1.00 0.00 C ATOM 901 CE2 TYR A 342 6.642 -0.302 3.866 1.00 0.00 C ATOM 902 CZ TYR A 342 7.469 -0.875 4.839 1.00 0.00 C ATOM 903 OH TYR A 342 8.342 -1.887 4.495 1.00 0.00 O ATOM 0 H TYR A 342 3.625 4.455 6.569 1.00 0.00 H new ATOM 0 HA TYR A 342 5.905 3.132 7.500 1.00 0.00 H new ATOM 0 HB2 TYR A 342 4.000 1.920 6.620 1.00 0.00 H new ATOM 0 HB3 TYR A 342 4.202 2.631 5.031 1.00 0.00 H new ATOM 0 HD1 TYR A 342 6.483 0.954 7.532 1.00 0.00 H new ATOM 0 HD2 TYR A 342 5.120 1.167 3.465 1.00 0.00 H new ATOM 0 HE1 TYR A 342 8.049 -0.863 6.912 1.00 0.00 H new ATOM 0 HE2 TYR A 342 6.686 -0.652 2.845 1.00 0.00 H new ATOM 0 HH TYR A 342 8.477 -2.478 5.265 1.00 0.00 H new ATOM 913 N LEU A 343 6.386 4.657 4.624 1.00 0.00 N ATOM 914 CA LEU A 343 7.467 5.119 3.708 1.00 0.00 C ATOM 915 C LEU A 343 8.326 6.164 4.415 1.00 0.00 C ATOM 916 O LEU A 343 9.540 6.078 4.428 1.00 0.00 O ATOM 917 CB LEU A 343 6.866 5.750 2.456 1.00 0.00 C ATOM 918 CG LEU A 343 5.766 4.860 1.877 1.00 0.00 C ATOM 919 CD1 LEU A 343 5.407 5.371 0.489 1.00 0.00 C ATOM 920 CD2 LEU A 343 6.271 3.425 1.759 1.00 0.00 C ATOM 0 H LEU A 343 5.451 5.001 4.403 1.00 0.00 H new ATOM 0 HA LEU A 343 8.074 4.259 3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 343 6.457 6.731 2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 343 7.646 5.904 1.710 1.00 0.00 H new ATOM 0 HG LEU A 343 4.894 4.884 2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 343 4.623 4.746 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 343 5.052 6.399 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 343 6.288 5.335 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 343 5.483 2.795 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 343 7.140 3.398 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 343 6.551 3.056 2.745 1.00 0.00 H new ATOM 932 N SER A 344 7.708 7.155 4.999 1.00 0.00 N ATOM 933 CA SER A 344 8.489 8.208 5.701 1.00 0.00 C ATOM 934 C SER A 344 9.525 7.542 6.602 1.00 0.00 C ATOM 935 O SER A 344 10.540 8.122 6.932 1.00 0.00 O ATOM 936 CB SER A 344 7.548 9.063 6.550 1.00 0.00 C ATOM 937 OG SER A 344 6.549 9.633 5.713 1.00 0.00 O ATOM 0 H SER A 344 6.696 7.279 5.019 1.00 0.00 H new ATOM 0 HA SER A 344 8.990 8.843 4.970 1.00 0.00 H new ATOM 0 HB2 SER A 344 7.085 8.454 7.326 1.00 0.00 H new ATOM 0 HB3 SER A 344 8.109 9.850 7.055 1.00 0.00 H new ATOM 0 HG SER A 344 5.942 10.181 6.254 1.00 0.00 H new ATOM 943 N THR A 345 9.274 6.315 6.994 1.00 0.00 N ATOM 944 CA THR A 345 10.237 5.578 7.871 1.00 0.00 C ATOM 945 C THR A 345 10.934 4.481 7.050 1.00 0.00 C ATOM 946 O THR A 345 11.759 3.748 7.558 1.00 0.00 O ATOM 947 CB THR A 345 9.487 4.987 9.075 1.00 0.00 C ATOM 948 OG1 THR A 345 10.421 4.449 10.001 1.00 0.00 O ATOM 949 CG2 THR A 345 8.524 3.894 8.629 1.00 0.00 C ATOM 0 H THR A 345 8.437 5.790 6.742 1.00 0.00 H new ATOM 0 HA THR A 345 10.999 6.259 8.249 1.00 0.00 H new ATOM 0 HB THR A 345 8.913 5.783 9.550 1.00 0.00 H new ATOM 0 HG1 THR A 345 11.142 3.999 9.514 1.00 0.00 H new ATOM 0 HG21 THR A 345 8.004 3.490 9.498 1.00 0.00 H new ATOM 0 HG22 THR A 345 7.797 4.312 7.933 1.00 0.00 H new ATOM 0 HG23 THR A 345 9.081 3.097 8.137 1.00 0.00 H new ATOM 957 N ASN A 346 10.628 4.385 5.772 1.00 0.00 N ATOM 958 CA ASN A 346 11.292 3.363 4.894 1.00 0.00 C ATOM 959 C ASN A 346 11.714 4.069 3.595 1.00 0.00 C ATOM 960 O ASN A 346 11.065 3.950 2.574 1.00 0.00 O ATOM 961 CB ASN A 346 10.315 2.216 4.580 1.00 0.00 C ATOM 962 CG ASN A 346 10.848 1.376 3.416 1.00 0.00 C ATOM 963 OD1 ASN A 346 10.246 1.439 2.259 1.00 0.00 O flip ATOM 964 ND2 ASN A 346 11.816 0.658 3.560 1.00 0.00 N flip ATOM 0 H ASN A 346 9.943 4.974 5.299 1.00 0.00 H new ATOM 0 HA ASN A 346 12.160 2.936 5.396 1.00 0.00 H new ATOM 0 HB2 ASN A 346 10.183 1.588 5.461 1.00 0.00 H new ATOM 0 HB3 ASN A 346 9.335 2.621 4.328 1.00 0.00 H new ATOM 0 HD21 ASN A 346 12.285 0.610 4.464 1.00 0.00 H new ATOM 0 HD22 ASN A 346 12.160 0.103 2.777 1.00 0.00 H new ATOM 971 N PRO A 347 12.789 4.819 3.650 1.00 0.00 N ATOM 972 CA PRO A 347 13.317 5.588 2.479 1.00 0.00 C ATOM 973 C PRO A 347 13.534 4.720 1.230 1.00 0.00 C ATOM 974 O PRO A 347 13.514 5.205 0.116 1.00 0.00 O ATOM 975 CB PRO A 347 14.656 6.153 2.986 1.00 0.00 C ATOM 976 CG PRO A 347 14.511 6.205 4.473 1.00 0.00 C ATOM 977 CD PRO A 347 13.630 5.015 4.844 1.00 0.00 C ATOM 0 HA PRO A 347 12.609 6.353 2.158 1.00 0.00 H new ATOM 0 HB2 PRO A 347 15.490 5.516 2.692 1.00 0.00 H new ATOM 0 HB3 PRO A 347 14.849 7.143 2.573 1.00 0.00 H new ATOM 0 HG2 PRO A 347 15.482 6.141 4.964 1.00 0.00 H new ATOM 0 HG3 PRO A 347 14.055 7.143 4.789 1.00 0.00 H new ATOM 0 HD2 PRO A 347 14.225 4.129 5.064 1.00 0.00 H new ATOM 0 HD3 PRO A 347 13.028 5.223 5.729 1.00 0.00 H new ATOM 985 N ALA A 348 13.751 3.447 1.404 1.00 0.00 N ATOM 986 CA ALA A 348 13.979 2.562 0.226 1.00 0.00 C ATOM 987 C ALA A 348 12.827 2.711 -0.770 1.00 0.00 C ATOM 988 O ALA A 348 13.032 2.905 -1.959 1.00 0.00 O ATOM 989 CB ALA A 348 14.063 1.107 0.689 1.00 0.00 C ATOM 0 H ALA A 348 13.781 2.980 2.310 1.00 0.00 H new ATOM 0 HA ALA A 348 14.912 2.848 -0.259 1.00 0.00 H new ATOM 0 HB1 ALA A 348 14.230 0.460 -0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 348 14.889 0.996 1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 348 13.130 0.826 1.178 1.00 0.00 H new ATOM 995 N LEU A 349 11.612 2.621 -0.308 1.00 0.00 N ATOM 996 CA LEU A 349 10.470 2.749 -1.249 1.00 0.00 C ATOM 997 C LEU A 349 10.382 4.196 -1.743 1.00 0.00 C ATOM 998 O LEU A 349 10.353 4.437 -2.928 1.00 0.00 O ATOM 999 CB LEU A 349 9.160 2.356 -0.548 1.00 0.00 C ATOM 1000 CG LEU A 349 8.943 0.832 -0.596 1.00 0.00 C ATOM 1001 CD1 LEU A 349 7.641 0.493 0.141 1.00 0.00 C ATOM 1002 CD2 LEU A 349 8.855 0.326 -2.056 1.00 0.00 C ATOM 0 H LEU A 349 11.363 2.466 0.669 1.00 0.00 H new ATOM 0 HA LEU A 349 10.626 2.082 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 349 9.184 2.691 0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 349 8.321 2.861 -1.027 1.00 0.00 H new ATOM 0 HG LEU A 349 9.791 0.342 -0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 349 7.477 -0.584 0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 349 7.713 0.823 1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 349 6.806 1.000 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 349 8.702 -0.753 -2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 349 8.020 0.812 -2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 349 9.782 0.562 -2.579 1.00 0.00 H new ATOM 1014 N GLN A 350 10.338 5.160 -0.852 1.00 0.00 N ATOM 1015 CA GLN A 350 10.246 6.591 -1.298 1.00 0.00 C ATOM 1016 C GLN A 350 11.189 6.805 -2.489 1.00 0.00 C ATOM 1017 O GLN A 350 10.892 7.550 -3.402 1.00 0.00 O ATOM 1018 CB GLN A 350 10.623 7.531 -0.125 1.00 0.00 C ATOM 1019 CG GLN A 350 9.376 8.266 0.388 1.00 0.00 C ATOM 1020 CD GLN A 350 8.971 9.344 -0.620 1.00 0.00 C ATOM 1021 OE1 GLN A 350 8.402 9.045 -1.650 1.00 0.00 O ATOM 1022 NE2 GLN A 350 9.237 10.596 -0.363 1.00 0.00 N ATOM 0 H GLN A 350 10.362 5.021 0.158 1.00 0.00 H new ATOM 0 HA GLN A 350 9.226 6.821 -1.606 1.00 0.00 H new ATOM 0 HB2 GLN A 350 11.072 6.954 0.683 1.00 0.00 H new ATOM 0 HB3 GLN A 350 11.370 8.253 -0.454 1.00 0.00 H new ATOM 0 HG2 GLN A 350 8.558 7.560 0.531 1.00 0.00 H new ATOM 0 HG3 GLN A 350 9.580 8.718 1.358 1.00 0.00 H new ATOM 0 HE21 GLN A 350 9.715 10.849 0.502 1.00 0.00 H new ATOM 0 HE22 GLN A 350 8.967 11.322 -1.027 1.00 0.00 H new ATOM 1031 N ARG A 351 12.302 6.123 -2.505 1.00 0.00 N ATOM 1032 CA ARG A 351 13.220 6.254 -3.650 1.00 0.00 C ATOM 1033 C ARG A 351 12.458 5.828 -4.901 1.00 0.00 C ATOM 1034 O ARG A 351 12.408 6.535 -5.888 1.00 0.00 O ATOM 1035 CB ARG A 351 14.417 5.332 -3.435 1.00 0.00 C ATOM 1036 CG ARG A 351 15.460 5.632 -4.496 1.00 0.00 C ATOM 1037 CD ARG A 351 16.597 4.612 -4.415 1.00 0.00 C ATOM 1038 NE ARG A 351 17.009 4.436 -2.994 1.00 0.00 N ATOM 1039 CZ ARG A 351 17.750 3.417 -2.651 1.00 0.00 C ATOM 1040 NH1 ARG A 351 18.132 2.556 -3.554 1.00 0.00 N ATOM 1041 NH2 ARG A 351 18.107 3.260 -1.407 1.00 0.00 N ATOM 0 H ARG A 351 12.607 5.484 -1.771 1.00 0.00 H new ATOM 0 HA ARG A 351 13.577 7.279 -3.753 1.00 0.00 H new ATOM 0 HB2 ARG A 351 14.836 5.483 -2.440 1.00 0.00 H new ATOM 0 HB3 ARG A 351 14.106 4.289 -3.495 1.00 0.00 H new ATOM 0 HG2 ARG A 351 15.003 5.602 -5.485 1.00 0.00 H new ATOM 0 HG3 ARG A 351 15.853 6.639 -4.357 1.00 0.00 H new ATOM 0 HD2 ARG A 351 16.274 3.658 -4.831 1.00 0.00 H new ATOM 0 HD3 ARG A 351 17.445 4.949 -5.011 1.00 0.00 H new ATOM 0 HE ARG A 351 16.712 5.111 -2.289 1.00 0.00 H new ATOM 0 HH11 ARG A 351 17.852 2.679 -4.527 1.00 0.00 H new ATOM 0 HH12 ARG A 351 18.711 1.760 -3.287 1.00 0.00 H new ATOM 0 HH21 ARG A 351 17.807 3.933 -0.702 1.00 0.00 H new ATOM 0 HH22 ARG A 351 18.686 2.464 -1.139 1.00 0.00 H new ATOM 1055 N ILE A 352 11.843 4.675 -4.853 1.00 0.00 N ATOM 1056 CA ILE A 352 11.056 4.196 -6.027 1.00 0.00 C ATOM 1057 C ILE A 352 9.640 4.781 -5.953 1.00 0.00 C ATOM 1058 O ILE A 352 9.206 5.502 -6.829 1.00 0.00 O ATOM 1059 CB ILE A 352 10.975 2.670 -5.992 1.00 0.00 C ATOM 1060 CG1 ILE A 352 12.388 2.081 -6.069 1.00 0.00 C ATOM 1061 CG2 ILE A 352 10.148 2.173 -7.178 1.00 0.00 C ATOM 1062 CD1 ILE A 352 12.353 0.614 -5.635 1.00 0.00 C ATOM 0 H ILE A 352 11.852 4.045 -4.051 1.00 0.00 H new ATOM 0 HA ILE A 352 11.539 4.515 -6.951 1.00 0.00 H new ATOM 0 HB ILE A 352 10.500 2.354 -5.063 1.00 0.00 H new ATOM 0 HG12 ILE A 352 12.772 2.162 -7.086 1.00 0.00 H new ATOM 0 HG13 ILE A 352 13.064 2.645 -5.427 1.00 0.00 H new ATOM 0 HG21 ILE A 352 10.091 1.085 -7.151 1.00 0.00 H new ATOM 0 HG22 ILE A 352 9.143 2.590 -7.121 1.00 0.00 H new ATOM 0 HG23 ILE A 352 10.620 2.489 -8.108 1.00 0.00 H new ATOM 0 HD11 ILE A 352 13.358 0.194 -5.690 1.00 0.00 H new ATOM 0 HD12 ILE A 352 11.987 0.546 -4.611 1.00 0.00 H new ATOM 0 HD13 ILE A 352 11.690 0.055 -6.295 1.00 0.00 H new ATOM 1074 N ILE A 353 8.926 4.479 -4.904 1.00 0.00 N ATOM 1075 CA ILE A 353 7.544 5.016 -4.748 1.00 0.00 C ATOM 1076 C ILE A 353 7.624 6.517 -4.451 1.00 0.00 C ATOM 1077 O ILE A 353 7.865 7.320 -5.330 1.00 0.00 O ATOM 1078 CB ILE A 353 6.852 4.277 -3.588 1.00 0.00 C ATOM 1079 CG1 ILE A 353 6.517 2.847 -4.046 1.00 0.00 C ATOM 1080 CG2 ILE A 353 5.565 5.008 -3.176 1.00 0.00 C ATOM 1081 CD1 ILE A 353 5.884 2.038 -2.902 1.00 0.00 C ATOM 0 H ILE A 353 9.243 3.879 -4.142 1.00 0.00 H new ATOM 0 HA ILE A 353 6.969 4.865 -5.662 1.00 0.00 H new ATOM 0 HB ILE A 353 7.519 4.248 -2.726 1.00 0.00 H new ATOM 0 HG12 ILE A 353 5.832 2.883 -4.893 1.00 0.00 H new ATOM 0 HG13 ILE A 353 7.424 2.349 -4.390 1.00 0.00 H new ATOM 0 HG21 ILE A 353 5.089 4.472 -2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 353 5.809 6.021 -2.855 1.00 0.00 H new ATOM 0 HG23 ILE A 353 4.883 5.051 -4.025 1.00 0.00 H new ATOM 0 HD11 ILE A 353 5.656 1.031 -3.251 1.00 0.00 H new ATOM 0 HD12 ILE A 353 6.581 1.983 -2.066 1.00 0.00 H new ATOM 0 HD13 ILE A 353 4.965 2.526 -2.577 1.00 0.00 H new