USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=23 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 323 SER OG : rot 39:sc= -0.161 USER MOD Set 1.2: A 330 THR OG1 : rot 30:sc= 1.23 USER MOD Single : A 290 SER OG : rot 180:sc= -0.271 USER MOD Single : A 293 THR OG1 : rot 168:sc= 0.567 USER MOD Single : A 294 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 295 LYS NZ :NH3+ 158:sc= -0.0494 (180deg=-0.749) USER MOD Single : A 301 THR OG1 : rot 58:sc= 0.526 USER MOD Single : A 305 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 306 THR OG1 : rot 81:sc= 0.623 USER MOD Single : A 310 HIS : no HE2:sc= -6.74! C(o=-6.7!,f=-9.7!) USER MOD Single : A 311 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 312 CYS SG : rot -70:sc= -2.99! USER MOD Single : A 313 GLN :FLIP amide:sc= -0.0422 F(o=-1.4!,f=-0.042) USER MOD Single : A 318 TYR OH : rot 180:sc= 0 USER MOD Single : A 321 LYS NZ :NH3+ -148:sc= -0.222 (180deg=-1.03) USER MOD Single : A 325 THR OG1 : rot 180:sc= 0 USER MOD Single : A 331 LYS NZ :NH3+ -144:sc= -0.127 (180deg=-0.851) USER MOD Single : A 334 HIS : no HE2:sc= -0.0982 K(o=-0.098,f=-0.6) USER MOD Single : A 336 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= -0.0493 USER MOD Single : A 341 GLN :FLIP amide:sc= -0.65 F(o=-1.5!,f=-0.65) USER MOD Single : A 342 TYR OH : rot 30:sc= -0.43 USER MOD Single : A 344 SER OG : rot 180:sc= 0 USER MOD Single : A 345 THR OG1 : rot -29:sc= 0.0993 USER MOD Single : A 346 ASN :FLIP amide:sc= -2.2 F(o=-8.4!,f=-2.2) USER MOD Single : A 350 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 289 -19.382 2.638 3.359 1.00 0.00 N ATOM 2 CA PHE A 289 -18.116 2.096 2.784 1.00 0.00 C ATOM 3 C PHE A 289 -17.804 2.848 1.486 1.00 0.00 C ATOM 4 O PHE A 289 -17.005 2.416 0.679 1.00 0.00 O ATOM 5 CB PHE A 289 -18.297 0.603 2.462 1.00 0.00 C ATOM 6 CG PHE A 289 -18.034 -0.262 3.681 1.00 0.00 C ATOM 7 CD1 PHE A 289 -18.298 0.206 4.980 1.00 0.00 C ATOM 8 CD2 PHE A 289 -17.530 -1.556 3.501 1.00 0.00 C ATOM 9 CE1 PHE A 289 -18.054 -0.619 6.085 1.00 0.00 C ATOM 10 CE2 PHE A 289 -17.289 -2.380 4.609 1.00 0.00 C ATOM 11 CZ PHE A 289 -17.550 -1.911 5.899 1.00 0.00 C ATOM 0 HA PHE A 289 -17.303 2.220 3.500 1.00 0.00 H new ATOM 0 HB2 PHE A 289 -19.310 0.427 2.101 1.00 0.00 H new ATOM 0 HB3 PHE A 289 -17.618 0.318 1.658 1.00 0.00 H new ATOM 0 HD1 PHE A 289 -18.689 1.202 5.126 1.00 0.00 H new ATOM 0 HD2 PHE A 289 -17.326 -1.920 2.505 1.00 0.00 H new ATOM 0 HE1 PHE A 289 -18.255 -0.257 7.083 1.00 0.00 H new ATOM 0 HE2 PHE A 289 -16.901 -3.378 4.466 1.00 0.00 H new ATOM 0 HZ PHE A 289 -17.363 -2.546 6.753 1.00 0.00 H new ATOM 21 N SER A 290 -18.451 3.953 1.272 1.00 0.00 N ATOM 22 CA SER A 290 -18.232 4.731 0.015 1.00 0.00 C ATOM 23 C SER A 290 -17.171 5.820 0.223 1.00 0.00 C ATOM 24 O SER A 290 -16.284 5.982 -0.590 1.00 0.00 O ATOM 25 CB SER A 290 -19.566 5.364 -0.423 1.00 0.00 C ATOM 26 OG SER A 290 -19.446 6.783 -0.456 1.00 0.00 O ATOM 0 H SER A 290 -19.130 4.359 1.916 1.00 0.00 H new ATOM 0 HA SER A 290 -17.871 4.057 -0.762 1.00 0.00 H new ATOM 0 HB2 SER A 290 -19.848 4.992 -1.408 1.00 0.00 H new ATOM 0 HB3 SER A 290 -20.359 5.074 0.266 1.00 0.00 H new ATOM 0 HG SER A 290 -20.298 7.177 -0.737 1.00 0.00 H new ATOM 32 N PRO A 291 -17.270 6.573 1.286 1.00 0.00 N ATOM 33 CA PRO A 291 -16.321 7.678 1.578 1.00 0.00 C ATOM 34 C PRO A 291 -15.092 7.225 2.382 1.00 0.00 C ATOM 35 O PRO A 291 -13.982 7.639 2.120 1.00 0.00 O ATOM 36 CB PRO A 291 -17.184 8.646 2.388 1.00 0.00 C ATOM 37 CG PRO A 291 -18.138 7.769 3.145 1.00 0.00 C ATOM 38 CD PRO A 291 -18.296 6.465 2.332 1.00 0.00 C ATOM 0 HA PRO A 291 -15.894 8.107 0.672 1.00 0.00 H new ATOM 0 HB2 PRO A 291 -16.576 9.246 3.065 1.00 0.00 H new ATOM 0 HB3 PRO A 291 -17.716 9.340 1.738 1.00 0.00 H new ATOM 0 HG2 PRO A 291 -17.757 7.557 4.144 1.00 0.00 H new ATOM 0 HG3 PRO A 291 -19.101 8.264 3.270 1.00 0.00 H new ATOM 0 HD2 PRO A 291 -18.140 5.584 2.955 1.00 0.00 H new ATOM 0 HD3 PRO A 291 -19.295 6.380 1.904 1.00 0.00 H new ATOM 46 N GLU A 292 -15.279 6.401 3.376 1.00 0.00 N ATOM 47 CA GLU A 292 -14.112 5.954 4.201 1.00 0.00 C ATOM 48 C GLU A 292 -13.460 4.693 3.613 1.00 0.00 C ATOM 49 O GLU A 292 -12.260 4.631 3.423 1.00 0.00 O ATOM 50 CB GLU A 292 -14.577 5.681 5.647 1.00 0.00 C ATOM 51 CG GLU A 292 -16.003 5.126 5.644 1.00 0.00 C ATOM 52 CD GLU A 292 -16.342 4.586 7.034 1.00 0.00 C ATOM 53 OE1 GLU A 292 -15.765 5.069 7.995 1.00 0.00 O ATOM 54 OE2 GLU A 292 -17.175 3.698 7.115 1.00 0.00 O ATOM 0 H GLU A 292 -16.182 6.018 3.655 1.00 0.00 H new ATOM 0 HA GLU A 292 -13.366 6.749 4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 292 -13.903 4.971 6.126 1.00 0.00 H new ATOM 0 HB3 GLU A 292 -14.538 6.601 6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 292 -16.709 5.908 5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 292 -16.095 4.333 4.902 1.00 0.00 H new ATOM 61 N THR A 293 -14.235 3.678 3.374 1.00 0.00 N ATOM 62 CA THR A 293 -13.674 2.396 2.862 1.00 0.00 C ATOM 63 C THR A 293 -13.234 2.494 1.407 1.00 0.00 C ATOM 64 O THR A 293 -12.159 2.060 1.048 1.00 0.00 O ATOM 65 CB THR A 293 -14.746 1.314 2.974 1.00 0.00 C ATOM 66 OG1 THR A 293 -15.299 1.329 4.282 1.00 0.00 O ATOM 67 CG2 THR A 293 -14.138 -0.055 2.691 1.00 0.00 C ATOM 0 H THR A 293 -15.246 3.679 3.512 1.00 0.00 H new ATOM 0 HA THR A 293 -12.796 2.155 3.461 1.00 0.00 H new ATOM 0 HB THR A 293 -15.531 1.511 2.244 1.00 0.00 H new ATOM 0 HG1 THR A 293 -16.108 0.777 4.301 1.00 0.00 H new ATOM 0 HG21 THR A 293 -14.910 -0.820 2.773 1.00 0.00 H new ATOM 0 HG22 THR A 293 -13.721 -0.067 1.684 1.00 0.00 H new ATOM 0 HG23 THR A 293 -13.347 -0.258 3.413 1.00 0.00 H new ATOM 75 N MET A 294 -14.063 3.003 0.551 1.00 0.00 N ATOM 76 CA MET A 294 -13.672 3.041 -0.880 1.00 0.00 C ATOM 77 C MET A 294 -12.429 3.916 -1.062 1.00 0.00 C ATOM 78 O MET A 294 -11.502 3.543 -1.744 1.00 0.00 O ATOM 79 CB MET A 294 -14.843 3.551 -1.736 1.00 0.00 C ATOM 80 CG MET A 294 -14.798 2.884 -3.118 1.00 0.00 C ATOM 81 SD MET A 294 -16.221 3.426 -4.096 1.00 0.00 S ATOM 82 CE MET A 294 -17.368 2.135 -3.551 1.00 0.00 C ATOM 0 H MET A 294 -14.981 3.389 0.772 1.00 0.00 H new ATOM 0 HA MET A 294 -13.427 2.032 -1.212 1.00 0.00 H new ATOM 0 HB2 MET A 294 -15.790 3.329 -1.244 1.00 0.00 H new ATOM 0 HB3 MET A 294 -14.785 4.634 -1.842 1.00 0.00 H new ATOM 0 HG2 MET A 294 -13.871 3.145 -3.629 1.00 0.00 H new ATOM 0 HG3 MET A 294 -14.809 1.799 -3.011 1.00 0.00 H new ATOM 0 HE1 MET A 294 -18.333 2.276 -4.039 1.00 0.00 H new ATOM 0 HE2 MET A 294 -16.967 1.157 -3.815 1.00 0.00 H new ATOM 0 HE3 MET A 294 -17.496 2.195 -2.470 1.00 0.00 H new ATOM 92 N LYS A 295 -12.383 5.062 -0.448 1.00 0.00 N ATOM 93 CA LYS A 295 -11.169 5.919 -0.592 1.00 0.00 C ATOM 94 C LYS A 295 -9.942 5.072 -0.269 1.00 0.00 C ATOM 95 O LYS A 295 -8.956 5.106 -0.978 1.00 0.00 O ATOM 96 CB LYS A 295 -11.273 7.126 0.356 1.00 0.00 C ATOM 97 CG LYS A 295 -12.015 8.277 -0.338 1.00 0.00 C ATOM 98 CD LYS A 295 -13.350 7.783 -0.912 1.00 0.00 C ATOM 99 CE LYS A 295 -14.176 8.988 -1.361 1.00 0.00 C ATOM 100 NZ LYS A 295 -13.346 9.835 -2.263 1.00 0.00 N ATOM 0 H LYS A 295 -13.123 5.443 0.142 1.00 0.00 H new ATOM 0 HA LYS A 295 -11.085 6.299 -1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 295 -11.800 6.839 1.266 1.00 0.00 H new ATOM 0 HB3 LYS A 295 -10.276 7.452 0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 295 -12.194 9.084 0.373 1.00 0.00 H new ATOM 0 HG3 LYS A 295 -11.397 8.687 -1.137 1.00 0.00 H new ATOM 0 HD2 LYS A 295 -13.173 7.113 -1.754 1.00 0.00 H new ATOM 0 HD3 LYS A 295 -13.895 7.212 -0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 295 -15.076 8.656 -1.879 1.00 0.00 H new ATOM 0 HE3 LYS A 295 -14.501 9.565 -0.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 295 -13.967 10.422 -2.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 295 -12.730 10.449 -1.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 295 -12.761 9.226 -2.870 1.00 0.00 H new ATOM 114 N ALA A 296 -9.996 4.277 0.761 1.00 0.00 N ATOM 115 CA ALA A 296 -8.825 3.414 1.050 1.00 0.00 C ATOM 116 C ALA A 296 -8.679 2.452 -0.132 1.00 0.00 C ATOM 117 O ALA A 296 -7.590 2.088 -0.528 1.00 0.00 O ATOM 118 CB ALA A 296 -9.058 2.631 2.341 1.00 0.00 C ATOM 0 H ALA A 296 -10.784 4.189 1.402 1.00 0.00 H new ATOM 0 HA ALA A 296 -7.922 4.010 1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 296 -8.193 2.000 2.545 1.00 0.00 H new ATOM 0 HB2 ALA A 296 -9.203 3.327 3.167 1.00 0.00 H new ATOM 0 HB3 ALA A 296 -9.945 2.007 2.233 1.00 0.00 H new ATOM 124 N ARG A 297 -9.788 2.064 -0.709 1.00 0.00 N ATOM 125 CA ARG A 297 -9.760 1.151 -1.885 1.00 0.00 C ATOM 126 C ARG A 297 -9.185 1.916 -3.086 1.00 0.00 C ATOM 127 O ARG A 297 -8.517 1.357 -3.936 1.00 0.00 O ATOM 128 CB ARG A 297 -11.195 0.687 -2.181 1.00 0.00 C ATOM 129 CG ARG A 297 -11.184 -0.613 -3.003 1.00 0.00 C ATOM 130 CD ARG A 297 -12.619 -1.168 -3.157 1.00 0.00 C ATOM 131 NE ARG A 297 -12.580 -2.658 -3.097 1.00 0.00 N ATOM 132 CZ ARG A 297 -13.683 -3.334 -2.908 1.00 0.00 C ATOM 133 NH1 ARG A 297 -14.821 -2.707 -2.803 1.00 0.00 N ATOM 134 NH2 ARG A 297 -13.647 -4.638 -2.831 1.00 0.00 N ATOM 0 H ARG A 297 -10.721 2.346 -0.409 1.00 0.00 H new ATOM 0 HA ARG A 297 -9.137 0.279 -1.686 1.00 0.00 H new ATOM 0 HB2 ARG A 297 -11.732 0.528 -1.246 1.00 0.00 H new ATOM 0 HB3 ARG A 297 -11.729 1.465 -2.727 1.00 0.00 H new ATOM 0 HG2 ARG A 297 -10.753 -0.425 -3.986 1.00 0.00 H new ATOM 0 HG3 ARG A 297 -10.552 -1.354 -2.514 1.00 0.00 H new ATOM 0 HD2 ARG A 297 -13.259 -0.777 -2.366 1.00 0.00 H new ATOM 0 HD3 ARG A 297 -13.048 -0.842 -4.105 1.00 0.00 H new ATOM 0 HE ARG A 297 -11.693 -3.150 -3.203 1.00 0.00 H new ATOM 0 HH11 ARG A 297 -14.851 -1.690 -2.868 1.00 0.00 H new ATOM 0 HH12 ARG A 297 -15.682 -3.234 -2.656 1.00 0.00 H new ATOM 0 HH21 ARG A 297 -12.758 -5.130 -2.918 1.00 0.00 H new ATOM 0 HH22 ARG A 297 -14.508 -5.164 -2.684 1.00 0.00 H new ATOM 148 N ARG A 298 -9.428 3.201 -3.146 1.00 0.00 N ATOM 149 CA ARG A 298 -8.894 4.022 -4.267 1.00 0.00 C ATOM 150 C ARG A 298 -7.389 4.184 -4.075 1.00 0.00 C ATOM 151 O ARG A 298 -6.603 3.903 -4.960 1.00 0.00 O ATOM 152 CB ARG A 298 -9.580 5.397 -4.248 1.00 0.00 C ATOM 153 CG ARG A 298 -9.070 6.290 -5.411 1.00 0.00 C ATOM 154 CD ARG A 298 -8.076 7.342 -4.891 1.00 0.00 C ATOM 155 NE ARG A 298 -7.694 8.253 -6.006 1.00 0.00 N ATOM 156 CZ ARG A 298 -7.125 9.401 -5.750 1.00 0.00 C ATOM 157 NH1 ARG A 298 -6.905 9.760 -4.515 1.00 0.00 N ATOM 158 NH2 ARG A 298 -6.779 10.187 -6.733 1.00 0.00 N ATOM 0 H ARG A 298 -9.978 3.717 -2.460 1.00 0.00 H new ATOM 0 HA ARG A 298 -9.089 3.539 -5.225 1.00 0.00 H new ATOM 0 HB2 ARG A 298 -10.660 5.270 -4.329 1.00 0.00 H new ATOM 0 HB3 ARG A 298 -9.388 5.890 -3.295 1.00 0.00 H new ATOM 0 HG2 ARG A 298 -8.589 5.671 -6.168 1.00 0.00 H new ATOM 0 HG3 ARG A 298 -9.913 6.785 -5.893 1.00 0.00 H new ATOM 0 HD2 ARG A 298 -8.525 7.912 -4.078 1.00 0.00 H new ATOM 0 HD3 ARG A 298 -7.190 6.853 -4.486 1.00 0.00 H new ATOM 0 HE ARG A 298 -7.877 7.980 -6.972 1.00 0.00 H new ATOM 0 HH11 ARG A 298 -7.177 9.144 -3.749 1.00 0.00 H new ATOM 0 HH12 ARG A 298 -6.461 10.656 -4.316 1.00 0.00 H new ATOM 0 HH21 ARG A 298 -6.953 9.904 -7.697 1.00 0.00 H new ATOM 0 HH22 ARG A 298 -6.335 11.084 -6.537 1.00 0.00 H new ATOM 172 N ALA A 299 -6.981 4.612 -2.914 1.00 0.00 N ATOM 173 CA ALA A 299 -5.520 4.768 -2.651 1.00 0.00 C ATOM 174 C ALA A 299 -4.850 3.409 -2.840 1.00 0.00 C ATOM 175 O ALA A 299 -3.668 3.308 -3.107 1.00 0.00 O ATOM 176 CB ALA A 299 -5.303 5.240 -1.215 1.00 0.00 C ATOM 0 H ALA A 299 -7.592 4.861 -2.136 1.00 0.00 H new ATOM 0 HA ALA A 299 -5.094 5.501 -3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 299 -4.235 5.353 -1.026 1.00 0.00 H new ATOM 0 HB2 ALA A 299 -5.801 6.199 -1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 299 -5.718 4.506 -0.524 1.00 0.00 H new ATOM 182 N TRP A 300 -5.614 2.362 -2.715 1.00 0.00 N ATOM 183 CA TRP A 300 -5.067 0.993 -2.891 1.00 0.00 C ATOM 184 C TRP A 300 -4.995 0.689 -4.385 1.00 0.00 C ATOM 185 O TRP A 300 -4.316 -0.222 -4.811 1.00 0.00 O ATOM 186 CB TRP A 300 -5.994 0.004 -2.199 1.00 0.00 C ATOM 187 CG TRP A 300 -5.893 0.085 -0.685 1.00 0.00 C ATOM 188 CD1 TRP A 300 -6.727 -0.592 0.144 1.00 0.00 C ATOM 189 CD2 TRP A 300 -4.964 0.827 0.207 1.00 0.00 C ATOM 190 NE1 TRP A 300 -6.370 -0.357 1.450 1.00 0.00 N ATOM 191 CE2 TRP A 300 -5.301 0.502 1.551 1.00 0.00 C ATOM 192 CE3 TRP A 300 -3.875 1.723 0.018 1.00 0.00 C ATOM 193 CZ2 TRP A 300 -4.600 1.025 2.639 1.00 0.00 C ATOM 194 CZ3 TRP A 300 -3.177 2.245 1.118 1.00 0.00 C ATOM 195 CH2 TRP A 300 -3.534 1.895 2.420 1.00 0.00 C ATOM 0 H TRP A 300 -6.609 2.399 -2.495 1.00 0.00 H new ATOM 0 HA TRP A 300 -4.070 0.915 -2.457 1.00 0.00 H new ATOM 0 HB2 TRP A 300 -7.022 0.198 -2.504 1.00 0.00 H new ATOM 0 HB3 TRP A 300 -5.751 -1.008 -2.524 1.00 0.00 H new ATOM 0 HD1 TRP A 300 -7.546 -1.220 -0.174 1.00 0.00 H new ATOM 0 HE1 TRP A 300 -6.844 -0.772 2.252 1.00 0.00 H new ATOM 0 HE3 TRP A 300 -3.582 2.004 -0.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 300 -4.883 0.756 3.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 300 -2.354 2.925 0.954 1.00 0.00 H new ATOM 0 HH2 TRP A 300 -2.985 2.298 3.258 1.00 0.00 H new ATOM 206 N THR A 301 -5.673 1.464 -5.184 1.00 0.00 N ATOM 207 CA THR A 301 -5.629 1.242 -6.655 1.00 0.00 C ATOM 208 C THR A 301 -4.384 1.925 -7.240 1.00 0.00 C ATOM 209 O THR A 301 -3.579 1.313 -7.914 1.00 0.00 O ATOM 210 CB THR A 301 -6.874 1.850 -7.294 1.00 0.00 C ATOM 211 OG1 THR A 301 -8.014 1.510 -6.518 1.00 0.00 O ATOM 212 CG2 THR A 301 -7.039 1.308 -8.714 1.00 0.00 C ATOM 0 H THR A 301 -6.257 2.243 -4.881 1.00 0.00 H new ATOM 0 HA THR A 301 -5.591 0.172 -6.858 1.00 0.00 H new ATOM 0 HB THR A 301 -6.771 2.934 -7.334 1.00 0.00 H new ATOM 0 HG1 THR A 301 -7.890 1.826 -5.599 1.00 0.00 H new ATOM 0 HG21 THR A 301 -7.929 1.744 -9.169 1.00 0.00 H new ATOM 0 HG22 THR A 301 -6.163 1.570 -9.308 1.00 0.00 H new ATOM 0 HG23 THR A 301 -7.143 0.224 -8.680 1.00 0.00 H new ATOM 220 N ASP A 302 -4.234 3.201 -6.991 1.00 0.00 N ATOM 221 CA ASP A 302 -3.060 3.946 -7.532 1.00 0.00 C ATOM 222 C ASP A 302 -1.765 3.231 -7.145 1.00 0.00 C ATOM 223 O ASP A 302 -0.861 3.090 -7.942 1.00 0.00 O ATOM 224 CB ASP A 302 -3.050 5.364 -6.953 1.00 0.00 C ATOM 225 CG ASP A 302 -4.124 6.205 -7.641 1.00 0.00 C ATOM 226 OD1 ASP A 302 -5.019 5.618 -8.226 1.00 0.00 O ATOM 227 OD2 ASP A 302 -4.035 7.419 -7.572 1.00 0.00 O ATOM 0 H ASP A 302 -4.879 3.761 -6.433 1.00 0.00 H new ATOM 0 HA ASP A 302 -3.133 3.991 -8.619 1.00 0.00 H new ATOM 0 HB2 ASP A 302 -3.232 5.331 -5.879 1.00 0.00 H new ATOM 0 HB3 ASP A 302 -2.070 5.819 -7.096 1.00 0.00 H new ATOM 232 N VAL A 303 -1.663 2.793 -5.924 1.00 0.00 N ATOM 233 CA VAL A 303 -0.423 2.102 -5.486 1.00 0.00 C ATOM 234 C VAL A 303 -0.371 0.700 -6.101 1.00 0.00 C ATOM 235 O VAL A 303 0.683 0.201 -6.438 1.00 0.00 O ATOM 236 CB VAL A 303 -0.424 1.986 -3.959 1.00 0.00 C ATOM 237 CG1 VAL A 303 -0.571 3.374 -3.328 1.00 0.00 C ATOM 238 CG2 VAL A 303 -1.597 1.106 -3.526 1.00 0.00 C ATOM 0 H VAL A 303 -2.386 2.884 -5.210 1.00 0.00 H new ATOM 0 HA VAL A 303 0.447 2.673 -5.812 1.00 0.00 H new ATOM 0 HB VAL A 303 0.516 1.543 -3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 303 -0.571 3.282 -2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 303 0.262 4.005 -3.639 1.00 0.00 H new ATOM 0 HG13 VAL A 303 -1.509 3.824 -3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 303 -1.605 1.018 -2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 303 -2.532 1.556 -3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 303 -1.492 0.116 -3.969 1.00 0.00 H new ATOM 248 N ILE A 304 -1.496 0.055 -6.252 1.00 0.00 N ATOM 249 CA ILE A 304 -1.487 -1.320 -6.838 1.00 0.00 C ATOM 250 C ILE A 304 -0.626 -1.327 -8.116 1.00 0.00 C ATOM 251 O ILE A 304 0.155 -2.231 -8.336 1.00 0.00 O ATOM 252 CB ILE A 304 -2.954 -1.752 -7.121 1.00 0.00 C ATOM 253 CG1 ILE A 304 -3.418 -2.765 -6.055 1.00 0.00 C ATOM 254 CG2 ILE A 304 -3.110 -2.395 -8.509 1.00 0.00 C ATOM 255 CD1 ILE A 304 -4.943 -2.982 -6.115 1.00 0.00 C ATOM 0 H ILE A 304 -2.416 0.416 -5.998 1.00 0.00 H new ATOM 0 HA ILE A 304 -1.049 -2.036 -6.143 1.00 0.00 H new ATOM 0 HB ILE A 304 -3.566 -0.850 -7.088 1.00 0.00 H new ATOM 0 HG12 ILE A 304 -2.907 -3.716 -6.207 1.00 0.00 H new ATOM 0 HG13 ILE A 304 -3.138 -2.407 -5.064 1.00 0.00 H new ATOM 0 HG21 ILE A 304 -4.151 -2.681 -8.663 1.00 0.00 H new ATOM 0 HG22 ILE A 304 -2.813 -1.680 -9.277 1.00 0.00 H new ATOM 0 HG23 ILE A 304 -2.477 -3.280 -8.573 1.00 0.00 H new ATOM 0 HD11 ILE A 304 -5.238 -3.701 -5.351 1.00 0.00 H new ATOM 0 HD12 ILE A 304 -5.453 -2.035 -5.938 1.00 0.00 H new ATOM 0 HD13 ILE A 304 -5.218 -3.364 -7.098 1.00 0.00 H new ATOM 267 N GLN A 305 -0.756 -0.336 -8.954 1.00 0.00 N ATOM 268 CA GLN A 305 0.065 -0.316 -10.198 1.00 0.00 C ATOM 269 C GLN A 305 1.492 0.134 -9.872 1.00 0.00 C ATOM 270 O GLN A 305 2.447 -0.352 -10.442 1.00 0.00 O ATOM 271 CB GLN A 305 -0.557 0.641 -11.223 1.00 0.00 C ATOM 272 CG GLN A 305 -0.904 1.974 -10.556 1.00 0.00 C ATOM 273 CD GLN A 305 -1.300 2.990 -11.630 1.00 0.00 C ATOM 274 OE1 GLN A 305 -1.453 2.593 -12.863 1.00 0.00 O flip ATOM 275 NE2 GLN A 305 -1.471 4.158 -11.343 1.00 0.00 N flip ATOM 0 H GLN A 305 -1.389 0.455 -8.834 1.00 0.00 H new ATOM 0 HA GLN A 305 0.092 -1.321 -10.619 1.00 0.00 H new ATOM 0 HB2 GLN A 305 0.139 0.807 -12.045 1.00 0.00 H new ATOM 0 HB3 GLN A 305 -1.455 0.195 -11.650 1.00 0.00 H new ATOM 0 HG2 GLN A 305 -1.722 1.838 -9.849 1.00 0.00 H new ATOM 0 HG3 GLN A 305 -0.050 2.343 -9.988 1.00 0.00 H new ATOM 0 HE21 GLN A 305 -1.352 4.469 -10.379 1.00 0.00 H new ATOM 0 HE22 GLN A 305 -1.734 4.828 -12.066 1.00 0.00 H new ATOM 284 N THR A 306 1.649 1.060 -8.965 1.00 0.00 N ATOM 285 CA THR A 306 3.018 1.535 -8.621 1.00 0.00 C ATOM 286 C THR A 306 3.827 0.391 -8.010 1.00 0.00 C ATOM 287 O THR A 306 4.879 0.045 -8.490 1.00 0.00 O ATOM 288 CB THR A 306 2.941 2.682 -7.611 1.00 0.00 C ATOM 289 OG1 THR A 306 1.969 3.627 -8.039 1.00 0.00 O ATOM 290 CG2 THR A 306 4.309 3.361 -7.504 1.00 0.00 C ATOM 0 H THR A 306 0.891 1.506 -8.449 1.00 0.00 H new ATOM 0 HA THR A 306 3.502 1.885 -9.533 1.00 0.00 H new ATOM 0 HB THR A 306 2.656 2.289 -6.635 1.00 0.00 H new ATOM 0 HG1 THR A 306 1.075 3.310 -7.794 1.00 0.00 H new ATOM 0 HG21 THR A 306 4.254 4.178 -6.785 1.00 0.00 H new ATOM 0 HG22 THR A 306 5.051 2.635 -7.172 1.00 0.00 H new ATOM 0 HG23 THR A 306 4.597 3.755 -8.479 1.00 0.00 H new ATOM 298 N LEU A 307 3.347 -0.196 -6.948 1.00 0.00 N ATOM 299 CA LEU A 307 4.104 -1.315 -6.305 1.00 0.00 C ATOM 300 C LEU A 307 4.595 -2.287 -7.389 1.00 0.00 C ATOM 301 O LEU A 307 5.731 -2.714 -7.389 1.00 0.00 O ATOM 302 CB LEU A 307 3.167 -2.060 -5.336 1.00 0.00 C ATOM 303 CG LEU A 307 3.245 -1.462 -3.917 1.00 0.00 C ATOM 304 CD1 LEU A 307 4.638 -1.704 -3.294 1.00 0.00 C ATOM 305 CD2 LEU A 307 2.961 0.046 -3.977 1.00 0.00 C ATOM 0 H LEU A 307 2.466 0.048 -6.496 1.00 0.00 H new ATOM 0 HA LEU A 307 4.960 -0.918 -5.760 1.00 0.00 H new ATOM 0 HB2 LEU A 307 2.142 -2.004 -5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 307 3.437 -3.116 -5.304 1.00 0.00 H new ATOM 0 HG LEU A 307 2.498 -1.953 -3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 307 4.669 -1.273 -2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 307 4.829 -2.776 -3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 307 5.401 -1.234 -3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 307 3.017 0.467 -2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 307 3.700 0.530 -4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 307 1.964 0.213 -4.386 1.00 0.00 H new ATOM 317 N ARG A 308 3.739 -2.633 -8.305 1.00 0.00 N ATOM 318 CA ARG A 308 4.136 -3.573 -9.387 1.00 0.00 C ATOM 319 C ARG A 308 5.323 -3.002 -10.172 1.00 0.00 C ATOM 320 O ARG A 308 5.850 -3.643 -11.060 1.00 0.00 O ATOM 321 CB ARG A 308 2.946 -3.787 -10.332 1.00 0.00 C ATOM 322 CG ARG A 308 3.125 -5.097 -11.103 1.00 0.00 C ATOM 323 CD ARG A 308 1.912 -5.321 -12.008 1.00 0.00 C ATOM 324 NE ARG A 308 1.872 -4.255 -13.046 1.00 0.00 N ATOM 325 CZ ARG A 308 1.087 -4.378 -14.078 1.00 0.00 C ATOM 326 NH1 ARG A 308 0.320 -5.427 -14.190 1.00 0.00 N ATOM 327 NH2 ARG A 308 1.062 -3.452 -14.997 1.00 0.00 N ATOM 0 H ARG A 308 2.775 -2.303 -8.352 1.00 0.00 H new ATOM 0 HA ARG A 308 4.431 -4.525 -8.946 1.00 0.00 H new ATOM 0 HB2 ARG A 308 2.017 -3.814 -9.762 1.00 0.00 H new ATOM 0 HB3 ARG A 308 2.868 -2.952 -11.029 1.00 0.00 H new ATOM 0 HG2 ARG A 308 4.036 -5.059 -11.700 1.00 0.00 H new ATOM 0 HG3 ARG A 308 3.233 -5.930 -10.408 1.00 0.00 H new ATOM 0 HD2 ARG A 308 1.971 -6.302 -12.479 1.00 0.00 H new ATOM 0 HD3 ARG A 308 0.995 -5.305 -11.418 1.00 0.00 H new ATOM 0 HE ARG A 308 2.460 -3.427 -12.949 1.00 0.00 H new ATOM 0 HH11 ARG A 308 0.336 -6.149 -13.470 1.00 0.00 H new ATOM 0 HH12 ARG A 308 -0.295 -5.525 -14.998 1.00 0.00 H new ATOM 0 HH21 ARG A 308 1.658 -2.629 -14.908 1.00 0.00 H new ATOM 0 HH22 ARG A 308 0.446 -3.551 -15.804 1.00 0.00 H new ATOM 341 N GLU A 309 5.741 -1.798 -9.873 1.00 0.00 N ATOM 342 CA GLU A 309 6.882 -1.208 -10.637 1.00 0.00 C ATOM 343 C GLU A 309 8.216 -1.709 -10.076 1.00 0.00 C ATOM 344 O GLU A 309 9.247 -1.533 -10.697 1.00 0.00 O ATOM 345 CB GLU A 309 6.833 0.321 -10.549 1.00 0.00 C ATOM 346 CG GLU A 309 5.568 0.832 -11.241 1.00 0.00 C ATOM 347 CD GLU A 309 5.732 0.723 -12.761 1.00 0.00 C ATOM 348 OE1 GLU A 309 6.860 0.607 -13.211 1.00 0.00 O ATOM 349 OE2 GLU A 309 4.725 0.758 -13.448 1.00 0.00 O ATOM 0 H GLU A 309 5.348 -1.204 -9.143 1.00 0.00 H new ATOM 0 HA GLU A 309 6.798 -1.516 -11.679 1.00 0.00 H new ATOM 0 HB2 GLU A 309 6.842 0.636 -9.506 1.00 0.00 H new ATOM 0 HB3 GLU A 309 7.717 0.751 -11.020 1.00 0.00 H new ATOM 0 HG2 GLU A 309 4.704 0.252 -10.916 1.00 0.00 H new ATOM 0 HG3 GLU A 309 5.381 1.868 -10.959 1.00 0.00 H new ATOM 356 N HIS A 310 8.215 -2.359 -8.928 1.00 0.00 N ATOM 357 CA HIS A 310 9.502 -2.897 -8.367 1.00 0.00 C ATOM 358 C HIS A 310 9.317 -4.360 -7.938 1.00 0.00 C ATOM 359 O HIS A 310 8.501 -5.073 -8.487 1.00 0.00 O ATOM 360 CB HIS A 310 9.980 -2.033 -7.188 1.00 0.00 C ATOM 361 CG HIS A 310 8.968 -1.993 -6.071 1.00 0.00 C ATOM 362 ND1 HIS A 310 9.202 -2.611 -4.851 1.00 0.00 N ATOM 363 CD2 HIS A 310 7.753 -1.359 -5.939 1.00 0.00 C ATOM 364 CE1 HIS A 310 8.160 -2.337 -4.048 1.00 0.00 C ATOM 365 NE2 HIS A 310 7.247 -1.579 -4.662 1.00 0.00 N ATOM 0 H HIS A 310 7.386 -2.538 -8.361 1.00 0.00 H new ATOM 0 HA HIS A 310 10.268 -2.859 -9.141 1.00 0.00 H new ATOM 0 HB2 HIS A 310 10.923 -2.427 -6.809 1.00 0.00 H new ATOM 0 HB3 HIS A 310 10.175 -1.019 -7.537 1.00 0.00 H new ATOM 0 HD1 HIS A 310 10.018 -3.172 -4.607 1.00 0.00 H new ATOM 0 HD2 HIS A 310 7.267 -0.779 -6.710 1.00 0.00 H new ATOM 0 HE1 HIS A 310 8.071 -2.687 -3.030 1.00 0.00 H new ATOM 373 N LYS A 311 10.083 -4.821 -6.979 1.00 0.00 N ATOM 374 CA LYS A 311 9.968 -6.253 -6.538 1.00 0.00 C ATOM 375 C LYS A 311 9.019 -6.384 -5.349 1.00 0.00 C ATOM 376 O LYS A 311 9.429 -6.629 -4.233 1.00 0.00 O ATOM 377 CB LYS A 311 11.360 -6.790 -6.176 1.00 0.00 C ATOM 378 CG LYS A 311 12.176 -5.700 -5.477 1.00 0.00 C ATOM 379 CD LYS A 311 13.474 -6.301 -4.914 1.00 0.00 C ATOM 380 CE LYS A 311 14.241 -7.031 -6.024 1.00 0.00 C ATOM 381 NZ LYS A 311 15.663 -7.209 -5.614 1.00 0.00 N ATOM 0 H LYS A 311 10.783 -4.271 -6.481 1.00 0.00 H new ATOM 0 HA LYS A 311 9.557 -6.841 -7.358 1.00 0.00 H new ATOM 0 HB2 LYS A 311 11.266 -7.659 -5.525 1.00 0.00 H new ATOM 0 HB3 LYS A 311 11.877 -7.121 -7.077 1.00 0.00 H new ATOM 0 HG2 LYS A 311 12.410 -4.901 -6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 311 11.591 -5.255 -4.672 1.00 0.00 H new ATOM 0 HD2 LYS A 311 14.095 -5.512 -4.490 1.00 0.00 H new ATOM 0 HD3 LYS A 311 13.242 -6.994 -4.105 1.00 0.00 H new ATOM 0 HE2 LYS A 311 13.784 -8.001 -6.219 1.00 0.00 H new ATOM 0 HE3 LYS A 311 14.188 -6.462 -6.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 16.182 -7.704 -6.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 16.096 -6.278 -5.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 15.704 -7.770 -4.739 1.00 0.00 H new ATOM 395 N CYS A 312 7.749 -6.246 -5.591 1.00 0.00 N ATOM 396 CA CYS A 312 6.761 -6.388 -4.491 1.00 0.00 C ATOM 397 C CYS A 312 5.391 -6.635 -5.091 1.00 0.00 C ATOM 398 O CYS A 312 4.776 -5.754 -5.653 1.00 0.00 O ATOM 399 CB CYS A 312 6.713 -5.120 -3.664 1.00 0.00 C ATOM 400 SG CYS A 312 5.352 -5.213 -2.479 1.00 0.00 S ATOM 0 H CYS A 312 7.351 -6.040 -6.507 1.00 0.00 H new ATOM 0 HA CYS A 312 7.054 -7.221 -3.852 1.00 0.00 H new ATOM 0 HB2 CYS A 312 7.657 -4.983 -3.137 1.00 0.00 H new ATOM 0 HB3 CYS A 312 6.582 -4.255 -4.315 1.00 0.00 H new ATOM 0 HG CYS A 312 4.219 -5.136 -3.112 1.00 0.00 H new ATOM 406 N GLN A 313 4.918 -7.829 -4.975 1.00 0.00 N ATOM 407 CA GLN A 313 3.577 -8.161 -5.539 1.00 0.00 C ATOM 408 C GLN A 313 2.481 -7.504 -4.676 1.00 0.00 C ATOM 409 O GLN A 313 2.337 -7.847 -3.522 1.00 0.00 O ATOM 410 CB GLN A 313 3.368 -9.680 -5.520 1.00 0.00 C ATOM 411 CG GLN A 313 4.578 -10.383 -6.137 1.00 0.00 C ATOM 412 CD GLN A 313 4.204 -11.823 -6.498 1.00 0.00 C ATOM 413 OE1 GLN A 313 3.038 -12.290 -6.139 1.00 0.00 O flip ATOM 414 NE2 GLN A 313 4.977 -12.527 -7.114 1.00 0.00 N flip ATOM 0 H GLN A 313 5.397 -8.602 -4.513 1.00 0.00 H new ATOM 0 HA GLN A 313 3.521 -7.792 -6.563 1.00 0.00 H new ATOM 0 HB2 GLN A 313 3.222 -10.022 -4.496 1.00 0.00 H new ATOM 0 HB3 GLN A 313 2.466 -9.938 -6.074 1.00 0.00 H new ATOM 0 HG2 GLN A 313 4.908 -9.848 -7.027 1.00 0.00 H new ATOM 0 HG3 GLN A 313 5.412 -10.378 -5.435 1.00 0.00 H new ATOM 0 HE21 GLN A 313 5.887 -12.162 -7.394 1.00 0.00 H new ATOM 0 HE22 GLN A 313 4.716 -13.484 -7.352 1.00 0.00 H new ATOM 423 N PRO A 314 1.708 -6.571 -5.209 1.00 0.00 N ATOM 424 CA PRO A 314 0.625 -5.895 -4.434 1.00 0.00 C ATOM 425 C PRO A 314 -0.685 -6.688 -4.450 1.00 0.00 C ATOM 426 O PRO A 314 -1.055 -7.281 -5.445 1.00 0.00 O ATOM 427 CB PRO A 314 0.459 -4.573 -5.173 1.00 0.00 C ATOM 428 CG PRO A 314 0.718 -4.918 -6.603 1.00 0.00 C ATOM 429 CD PRO A 314 1.769 -6.043 -6.590 1.00 0.00 C ATOM 0 HA PRO A 314 0.874 -5.788 -3.378 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -0.542 -4.164 -5.037 1.00 0.00 H new ATOM 0 HB3 PRO A 314 1.162 -3.823 -4.811 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -0.197 -5.246 -7.096 1.00 0.00 H new ATOM 0 HG3 PRO A 314 1.083 -4.051 -7.153 1.00 0.00 H new ATOM 0 HD2 PRO A 314 1.537 -6.815 -7.324 1.00 0.00 H new ATOM 0 HD3 PRO A 314 2.763 -5.664 -6.829 1.00 0.00 H new ATOM 437 N ARG A 315 -1.385 -6.707 -3.348 1.00 0.00 N ATOM 438 CA ARG A 315 -2.673 -7.464 -3.278 1.00 0.00 C ATOM 439 C ARG A 315 -3.621 -6.720 -2.322 1.00 0.00 C ATOM 440 O ARG A 315 -3.270 -6.450 -1.193 1.00 0.00 O ATOM 441 CB ARG A 315 -2.422 -8.911 -2.752 1.00 0.00 C ATOM 442 CG ARG A 315 -0.912 -9.224 -2.669 1.00 0.00 C ATOM 443 CD ARG A 315 -0.203 -8.293 -1.647 1.00 0.00 C ATOM 444 NE ARG A 315 0.622 -9.101 -0.684 1.00 0.00 N ATOM 445 CZ ARG A 315 0.111 -10.079 0.025 1.00 0.00 C ATOM 446 NH1 ARG A 315 -1.160 -10.362 -0.047 1.00 0.00 N ATOM 447 NH2 ARG A 315 0.881 -10.765 0.825 1.00 0.00 N ATOM 0 H ARG A 315 -1.120 -6.229 -2.487 1.00 0.00 H new ATOM 0 HA ARG A 315 -3.115 -7.532 -4.272 1.00 0.00 H new ATOM 0 HB2 ARG A 315 -2.874 -9.026 -1.767 1.00 0.00 H new ATOM 0 HB3 ARG A 315 -2.909 -9.629 -3.411 1.00 0.00 H new ATOM 0 HG2 ARG A 315 -0.769 -10.265 -2.378 1.00 0.00 H new ATOM 0 HG3 ARG A 315 -0.458 -9.103 -3.652 1.00 0.00 H new ATOM 0 HD2 ARG A 315 0.434 -7.583 -2.174 1.00 0.00 H new ATOM 0 HD3 ARG A 315 -0.945 -7.711 -1.100 1.00 0.00 H new ATOM 0 HE ARG A 315 1.612 -8.881 -0.579 1.00 0.00 H new ATOM 0 HH11 ARG A 315 -1.769 -9.820 -0.660 1.00 0.00 H new ATOM 0 HH12 ARG A 315 -1.545 -11.125 0.510 1.00 0.00 H new ATOM 0 HH21 ARG A 315 1.873 -10.539 0.896 1.00 0.00 H new ATOM 0 HH22 ARG A 315 0.491 -11.527 1.379 1.00 0.00 H new ATOM 461 N LEU A 316 -4.813 -6.385 -2.751 1.00 0.00 N ATOM 462 CA LEU A 316 -5.747 -5.670 -1.843 1.00 0.00 C ATOM 463 C LEU A 316 -6.501 -6.700 -0.994 1.00 0.00 C ATOM 464 O LEU A 316 -7.216 -7.544 -1.497 1.00 0.00 O ATOM 465 CB LEU A 316 -6.728 -4.843 -2.684 1.00 0.00 C ATOM 466 CG LEU A 316 -7.236 -3.637 -1.888 1.00 0.00 C ATOM 467 CD1 LEU A 316 -8.069 -2.739 -2.802 1.00 0.00 C ATOM 468 CD2 LEU A 316 -8.096 -4.117 -0.723 1.00 0.00 C ATOM 0 H LEU A 316 -5.173 -6.577 -3.686 1.00 0.00 H new ATOM 0 HA LEU A 316 -5.198 -5.000 -1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 316 -6.237 -4.503 -3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 316 -7.569 -5.466 -2.988 1.00 0.00 H new ATOM 0 HG LEU A 316 -6.386 -3.075 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 316 -8.431 -1.880 -2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 316 -7.453 -2.393 -3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 316 -8.918 -3.302 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 316 -8.456 -3.257 -0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 316 -8.946 -4.681 -1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 316 -7.501 -4.756 -0.071 1.00 0.00 H new ATOM 480 N LEU A 317 -6.328 -6.622 0.291 1.00 0.00 N ATOM 481 CA LEU A 317 -7.004 -7.571 1.232 1.00 0.00 C ATOM 482 C LEU A 317 -8.309 -6.926 1.706 1.00 0.00 C ATOM 483 O LEU A 317 -8.841 -6.092 1.012 1.00 0.00 O ATOM 484 CB LEU A 317 -6.071 -7.833 2.431 1.00 0.00 C ATOM 485 CG LEU A 317 -4.945 -8.805 2.041 1.00 0.00 C ATOM 486 CD1 LEU A 317 -5.499 -10.220 1.814 1.00 0.00 C ATOM 487 CD2 LEU A 317 -4.257 -8.315 0.766 1.00 0.00 C ATOM 0 H LEU A 317 -5.735 -5.928 0.745 1.00 0.00 H new ATOM 0 HA LEU A 317 -7.223 -8.519 0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 317 -5.643 -6.892 2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 317 -6.644 -8.247 3.261 1.00 0.00 H new ATOM 0 HG LEU A 317 -4.224 -8.840 2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 317 -4.684 -10.890 1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 317 -5.970 -10.578 2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 317 -6.237 -10.198 1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 317 -3.460 -9.007 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 317 -4.985 -8.263 -0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 317 -3.835 -7.325 0.938 1.00 0.00 H new ATOM 499 N TYR A 318 -8.808 -7.315 2.875 1.00 0.00 N ATOM 500 CA TYR A 318 -10.086 -6.751 3.467 1.00 0.00 C ATOM 501 C TYR A 318 -10.546 -5.480 2.713 1.00 0.00 C ATOM 502 O TYR A 318 -9.721 -4.721 2.277 1.00 0.00 O ATOM 503 CB TYR A 318 -9.786 -6.391 4.942 1.00 0.00 C ATOM 504 CG TYR A 318 -10.999 -6.617 5.820 1.00 0.00 C ATOM 505 CD1 TYR A 318 -11.364 -7.917 6.190 1.00 0.00 C ATOM 506 CD2 TYR A 318 -11.759 -5.524 6.261 1.00 0.00 C ATOM 507 CE1 TYR A 318 -12.487 -8.125 7.001 1.00 0.00 C ATOM 508 CE2 TYR A 318 -12.882 -5.733 7.071 1.00 0.00 C ATOM 509 CZ TYR A 318 -13.245 -7.034 7.441 1.00 0.00 C ATOM 510 OH TYR A 318 -14.349 -7.243 8.241 1.00 0.00 O ATOM 0 H TYR A 318 -8.366 -8.024 3.460 1.00 0.00 H new ATOM 0 HA TYR A 318 -10.885 -7.488 3.385 1.00 0.00 H new ATOM 0 HB2 TYR A 318 -8.954 -6.995 5.304 1.00 0.00 H new ATOM 0 HB3 TYR A 318 -9.475 -5.348 5.008 1.00 0.00 H new ATOM 0 HD1 TYR A 318 -10.780 -8.759 5.850 1.00 0.00 H new ATOM 0 HD2 TYR A 318 -11.478 -4.521 5.976 1.00 0.00 H new ATOM 0 HE1 TYR A 318 -12.768 -9.128 7.287 1.00 0.00 H new ATOM 0 HE2 TYR A 318 -13.468 -4.891 7.410 1.00 0.00 H new ATOM 0 HH TYR A 318 -14.763 -6.382 8.459 1.00 0.00 H new ATOM 520 N PRO A 319 -11.840 -5.248 2.562 1.00 0.00 N ATOM 521 CA PRO A 319 -12.387 -4.059 1.852 1.00 0.00 C ATOM 522 C PRO A 319 -11.434 -2.857 1.785 1.00 0.00 C ATOM 523 O PRO A 319 -11.530 -2.037 0.894 1.00 0.00 O ATOM 524 CB PRO A 319 -13.624 -3.749 2.676 1.00 0.00 C ATOM 525 CG PRO A 319 -14.165 -5.103 3.042 1.00 0.00 C ATOM 526 CD PRO A 319 -12.958 -6.074 3.052 1.00 0.00 C ATOM 0 HA PRO A 319 -12.574 -4.263 0.798 1.00 0.00 H new ATOM 0 HB2 PRO A 319 -13.377 -3.165 3.562 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -14.350 -3.170 2.105 1.00 0.00 H new ATOM 0 HG2 PRO A 319 -14.649 -5.076 4.018 1.00 0.00 H new ATOM 0 HG3 PRO A 319 -14.917 -5.427 2.323 1.00 0.00 H new ATOM 0 HD2 PRO A 319 -12.762 -6.459 4.053 1.00 0.00 H new ATOM 0 HD3 PRO A 319 -13.132 -6.935 2.407 1.00 0.00 H new ATOM 534 N ALA A 320 -10.505 -2.750 2.696 1.00 0.00 N ATOM 535 CA ALA A 320 -9.546 -1.611 2.648 1.00 0.00 C ATOM 536 C ALA A 320 -8.194 -2.019 3.262 1.00 0.00 C ATOM 537 O ALA A 320 -7.521 -1.206 3.863 1.00 0.00 O ATOM 538 CB ALA A 320 -10.145 -0.431 3.419 1.00 0.00 C ATOM 0 H ALA A 320 -10.369 -3.401 3.470 1.00 0.00 H new ATOM 0 HA ALA A 320 -9.372 -1.324 1.611 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -9.453 0.410 3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -11.090 -0.139 2.960 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -10.320 -0.724 4.454 1.00 0.00 H new ATOM 544 N LYS A 321 -7.772 -3.260 3.098 1.00 0.00 N ATOM 545 CA LYS A 321 -6.439 -3.686 3.661 1.00 0.00 C ATOM 546 C LYS A 321 -5.491 -3.968 2.496 1.00 0.00 C ATOM 547 O LYS A 321 -5.775 -4.780 1.647 1.00 0.00 O ATOM 548 CB LYS A 321 -6.606 -4.952 4.519 1.00 0.00 C ATOM 549 CG LYS A 321 -7.118 -4.577 5.924 1.00 0.00 C ATOM 550 CD LYS A 321 -5.946 -4.138 6.835 1.00 0.00 C ATOM 551 CE LYS A 321 -5.355 -5.349 7.564 1.00 0.00 C ATOM 552 NZ LYS A 321 -6.387 -5.941 8.461 1.00 0.00 N ATOM 0 H LYS A 321 -8.287 -3.989 2.604 1.00 0.00 H new ATOM 0 HA LYS A 321 -6.033 -2.895 4.292 1.00 0.00 H new ATOM 0 HB2 LYS A 321 -7.306 -5.636 4.039 1.00 0.00 H new ATOM 0 HB3 LYS A 321 -5.653 -5.475 4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 321 -7.847 -3.770 5.847 1.00 0.00 H new ATOM 0 HG3 LYS A 321 -7.631 -5.430 6.369 1.00 0.00 H new ATOM 0 HD2 LYS A 321 -5.174 -3.653 6.237 1.00 0.00 H new ATOM 0 HD3 LYS A 321 -6.296 -3.404 7.561 1.00 0.00 H new ATOM 0 HE2 LYS A 321 -5.016 -6.092 6.842 1.00 0.00 H new ATOM 0 HE3 LYS A 321 -4.483 -5.048 8.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 -5.926 -6.350 9.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 -7.054 -5.201 8.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 -6.903 -6.687 7.952 1.00 0.00 H new ATOM 566 N LEU A 322 -4.377 -3.284 2.439 1.00 0.00 N ATOM 567 CA LEU A 322 -3.409 -3.481 1.309 1.00 0.00 C ATOM 568 C LEU A 322 -2.120 -4.110 1.833 1.00 0.00 C ATOM 569 O LEU A 322 -1.429 -3.541 2.652 1.00 0.00 O ATOM 570 CB LEU A 322 -3.121 -2.096 0.704 1.00 0.00 C ATOM 571 CG LEU A 322 -2.024 -2.136 -0.389 1.00 0.00 C ATOM 572 CD1 LEU A 322 -0.607 -2.192 0.223 1.00 0.00 C ATOM 573 CD2 LEU A 322 -2.243 -3.340 -1.314 1.00 0.00 C ATOM 0 H LEU A 322 -4.091 -2.591 3.131 1.00 0.00 H new ATOM 0 HA LEU A 322 -3.825 -4.147 0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 322 -4.039 -1.693 0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 322 -2.813 -1.415 1.497 1.00 0.00 H new ATOM 0 HG LEU A 322 -2.101 -1.215 -0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 322 0.134 -2.219 -0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 322 -0.442 -1.309 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 322 -0.511 -3.088 0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 322 -1.466 -3.358 -2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 322 -2.199 -4.260 -0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 322 -3.220 -3.259 -1.791 1.00 0.00 H new ATOM 585 N SER A 323 -1.786 -5.286 1.354 1.00 0.00 N ATOM 586 CA SER A 323 -0.533 -5.966 1.805 1.00 0.00 C ATOM 587 C SER A 323 0.554 -5.795 0.743 1.00 0.00 C ATOM 588 O SER A 323 0.279 -5.648 -0.434 1.00 0.00 O ATOM 589 CB SER A 323 -0.808 -7.456 2.017 1.00 0.00 C ATOM 590 OG SER A 323 0.419 -8.132 2.256 1.00 0.00 O ATOM 0 H SER A 323 -2.332 -5.805 0.666 1.00 0.00 H new ATOM 0 HA SER A 323 -0.198 -5.521 2.742 1.00 0.00 H new ATOM 0 HB2 SER A 323 -1.484 -7.596 2.861 1.00 0.00 H new ATOM 0 HB3 SER A 323 -1.302 -7.875 1.140 1.00 0.00 H new ATOM 0 HG SER A 323 0.995 -7.575 2.821 1.00 0.00 H new ATOM 596 N ILE A 324 1.790 -5.809 1.161 1.00 0.00 N ATOM 597 CA ILE A 324 2.925 -5.643 0.204 1.00 0.00 C ATOM 598 C ILE A 324 4.091 -6.548 0.627 1.00 0.00 C ATOM 599 O ILE A 324 4.301 -6.813 1.796 1.00 0.00 O ATOM 600 CB ILE A 324 3.386 -4.164 0.187 1.00 0.00 C ATOM 601 CG1 ILE A 324 3.100 -3.496 1.542 1.00 0.00 C ATOM 602 CG2 ILE A 324 2.665 -3.392 -0.920 1.00 0.00 C ATOM 603 CD1 ILE A 324 3.852 -4.221 2.661 1.00 0.00 C ATOM 0 H ILE A 324 2.067 -5.930 2.135 1.00 0.00 H new ATOM 0 HA ILE A 324 2.596 -5.924 -0.797 1.00 0.00 H new ATOM 0 HB ILE A 324 4.459 -4.146 -0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 324 3.402 -2.449 1.510 1.00 0.00 H new ATOM 0 HG13 ILE A 324 2.029 -3.512 1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 324 3.000 -2.355 -0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 324 2.891 -3.845 -1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 324 1.590 -3.426 -0.746 1.00 0.00 H new ATOM 0 HD11 ILE A 324 3.640 -3.737 3.615 1.00 0.00 H new ATOM 0 HD12 ILE A 324 3.529 -5.261 2.702 1.00 0.00 H new ATOM 0 HD13 ILE A 324 4.923 -4.182 2.464 1.00 0.00 H new ATOM 615 N THR A 325 4.848 -7.017 -0.333 1.00 0.00 N ATOM 616 CA THR A 325 6.010 -7.904 -0.029 1.00 0.00 C ATOM 617 C THR A 325 7.287 -7.058 0.000 1.00 0.00 C ATOM 618 O THR A 325 7.717 -6.534 -1.010 1.00 0.00 O ATOM 619 CB THR A 325 6.119 -8.979 -1.125 1.00 0.00 C ATOM 620 OG1 THR A 325 5.038 -9.893 -0.988 1.00 0.00 O ATOM 621 CG2 THR A 325 7.444 -9.740 -0.994 1.00 0.00 C ATOM 0 H THR A 325 4.708 -6.821 -1.324 1.00 0.00 H new ATOM 0 HA THR A 325 5.874 -8.387 0.939 1.00 0.00 H new ATOM 0 HB THR A 325 6.083 -8.498 -2.102 1.00 0.00 H new ATOM 0 HG1 THR A 325 5.100 -10.580 -1.684 1.00 0.00 H new ATOM 0 HG21 THR A 325 7.508 -10.497 -1.776 1.00 0.00 H new ATOM 0 HG22 THR A 325 8.276 -9.043 -1.096 1.00 0.00 H new ATOM 0 HG23 THR A 325 7.492 -10.222 -0.017 1.00 0.00 H new ATOM 629 N ILE A 326 7.895 -6.916 1.154 1.00 0.00 N ATOM 630 CA ILE A 326 9.149 -6.101 1.258 1.00 0.00 C ATOM 631 C ILE A 326 10.354 -7.037 1.318 1.00 0.00 C ATOM 632 O ILE A 326 10.872 -7.334 2.376 1.00 0.00 O ATOM 633 CB ILE A 326 9.102 -5.256 2.537 1.00 0.00 C ATOM 634 CG1 ILE A 326 7.878 -4.311 2.494 1.00 0.00 C ATOM 635 CG2 ILE A 326 10.401 -4.451 2.677 1.00 0.00 C ATOM 636 CD1 ILE A 326 8.196 -3.004 1.743 1.00 0.00 C ATOM 0 H ILE A 326 7.577 -7.330 2.030 1.00 0.00 H new ATOM 0 HA ILE A 326 9.233 -5.447 0.390 1.00 0.00 H new ATOM 0 HB ILE A 326 9.006 -5.912 3.402 1.00 0.00 H new ATOM 0 HG12 ILE A 326 7.044 -4.817 2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 326 7.561 -4.079 3.511 1.00 0.00 H new ATOM 0 HG21 ILE A 326 10.362 -3.853 3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 326 11.249 -5.134 2.728 1.00 0.00 H new ATOM 0 HG23 ILE A 326 10.516 -3.793 1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 326 7.313 -2.366 1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 326 9.013 -2.485 2.245 1.00 0.00 H new ATOM 0 HD13 ILE A 326 8.488 -3.235 0.719 1.00 0.00 H new ATOM 648 N ASP A 327 10.811 -7.484 0.179 1.00 0.00 N ATOM 649 CA ASP A 327 11.995 -8.391 0.124 1.00 0.00 C ATOM 650 C ASP A 327 11.967 -9.407 1.271 1.00 0.00 C ATOM 651 O ASP A 327 12.996 -9.891 1.701 1.00 0.00 O ATOM 652 CB ASP A 327 13.274 -7.552 0.216 1.00 0.00 C ATOM 653 CG ASP A 327 13.087 -6.256 -0.575 1.00 0.00 C ATOM 654 OD1 ASP A 327 12.593 -5.299 0.000 1.00 0.00 O ATOM 655 OD2 ASP A 327 13.441 -6.242 -1.741 1.00 0.00 O ATOM 0 H ASP A 327 10.408 -7.256 -0.730 1.00 0.00 H new ATOM 0 HA ASP A 327 11.969 -8.939 -0.818 1.00 0.00 H new ATOM 0 HB2 ASP A 327 13.500 -7.326 1.258 1.00 0.00 H new ATOM 0 HB3 ASP A 327 14.120 -8.114 -0.179 1.00 0.00 H new ATOM 660 N GLY A 328 10.812 -9.747 1.767 1.00 0.00 N ATOM 661 CA GLY A 328 10.769 -10.742 2.875 1.00 0.00 C ATOM 662 C GLY A 328 9.437 -10.673 3.620 1.00 0.00 C ATOM 663 O GLY A 328 8.388 -10.955 3.077 1.00 0.00 O ATOM 0 H GLY A 328 9.908 -9.387 1.460 1.00 0.00 H new ATOM 0 HA2 GLY A 328 10.914 -11.745 2.474 1.00 0.00 H new ATOM 0 HA3 GLY A 328 11.588 -10.555 3.569 1.00 0.00 H new ATOM 667 N GLU A 329 9.479 -10.326 4.878 1.00 0.00 N ATOM 668 CA GLU A 329 8.228 -10.267 5.682 1.00 0.00 C ATOM 669 C GLU A 329 7.274 -9.219 5.106 1.00 0.00 C ATOM 670 O GLU A 329 7.614 -8.066 4.930 1.00 0.00 O ATOM 671 CB GLU A 329 8.576 -9.934 7.144 1.00 0.00 C ATOM 672 CG GLU A 329 8.828 -11.234 7.918 1.00 0.00 C ATOM 673 CD GLU A 329 9.373 -10.911 9.309 1.00 0.00 C ATOM 674 OE1 GLU A 329 8.765 -10.103 9.992 1.00 0.00 O ATOM 675 OE2 GLU A 329 10.392 -11.479 9.670 1.00 0.00 O ATOM 0 H GLU A 329 10.330 -10.080 5.384 1.00 0.00 H new ATOM 0 HA GLU A 329 7.730 -11.236 5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 329 9.460 -9.298 7.183 1.00 0.00 H new ATOM 0 HB3 GLU A 329 7.761 -9.376 7.605 1.00 0.00 H new ATOM 0 HG2 GLU A 329 7.902 -11.803 8.003 1.00 0.00 H new ATOM 0 HG3 GLU A 329 9.537 -11.859 7.376 1.00 0.00 H new ATOM 682 N THR A 330 6.075 -9.638 4.821 1.00 0.00 N ATOM 683 CA THR A 330 5.050 -8.713 4.258 1.00 0.00 C ATOM 684 C THR A 330 4.306 -8.010 5.398 1.00 0.00 C ATOM 685 O THR A 330 4.150 -8.551 6.475 1.00 0.00 O ATOM 686 CB THR A 330 4.053 -9.527 3.429 1.00 0.00 C ATOM 687 OG1 THR A 330 3.053 -8.666 2.907 1.00 0.00 O ATOM 688 CG2 THR A 330 3.401 -10.592 4.312 1.00 0.00 C ATOM 0 H THR A 330 5.755 -10.597 4.956 1.00 0.00 H new ATOM 0 HA THR A 330 5.535 -7.965 3.632 1.00 0.00 H new ATOM 0 HB THR A 330 4.579 -10.011 2.606 1.00 0.00 H new ATOM 0 HG1 THR A 330 3.433 -7.775 2.760 1.00 0.00 H new ATOM 0 HG21 THR A 330 2.692 -11.171 3.720 1.00 0.00 H new ATOM 0 HG22 THR A 330 4.169 -11.256 4.709 1.00 0.00 H new ATOM 0 HG23 THR A 330 2.877 -10.110 5.137 1.00 0.00 H new ATOM 696 N LYS A 331 3.826 -6.811 5.160 1.00 0.00 N ATOM 697 CA LYS A 331 3.068 -6.061 6.209 1.00 0.00 C ATOM 698 C LYS A 331 1.762 -5.575 5.576 1.00 0.00 C ATOM 699 O LYS A 331 1.545 -5.758 4.396 1.00 0.00 O ATOM 700 CB LYS A 331 3.906 -4.859 6.696 1.00 0.00 C ATOM 701 CG LYS A 331 3.552 -4.521 8.162 1.00 0.00 C ATOM 702 CD LYS A 331 3.756 -3.026 8.422 1.00 0.00 C ATOM 703 CE LYS A 331 5.228 -2.664 8.214 1.00 0.00 C ATOM 704 NZ LYS A 331 6.082 -3.531 9.075 1.00 0.00 N ATOM 0 H LYS A 331 3.929 -6.317 4.274 1.00 0.00 H new ATOM 0 HA LYS A 331 2.857 -6.699 7.067 1.00 0.00 H new ATOM 0 HB2 LYS A 331 4.968 -5.090 6.615 1.00 0.00 H new ATOM 0 HB3 LYS A 331 3.718 -3.994 6.060 1.00 0.00 H new ATOM 0 HG2 LYS A 331 2.517 -4.796 8.367 1.00 0.00 H new ATOM 0 HG3 LYS A 331 4.177 -5.104 8.839 1.00 0.00 H new ATOM 0 HD2 LYS A 331 3.129 -2.441 7.749 1.00 0.00 H new ATOM 0 HD3 LYS A 331 3.451 -2.779 9.439 1.00 0.00 H new ATOM 0 HE2 LYS A 331 5.500 -2.793 7.167 1.00 0.00 H new ATOM 0 HE3 LYS A 331 5.393 -1.615 8.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 6.894 -2.982 9.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 5.524 -3.875 9.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 6.424 -4.341 8.520 1.00 0.00 H new ATOM 718 N VAL A 332 0.884 -4.967 6.333 1.00 0.00 N ATOM 719 CA VAL A 332 -0.402 -4.495 5.735 1.00 0.00 C ATOM 720 C VAL A 332 -0.845 -3.188 6.392 1.00 0.00 C ATOM 721 O VAL A 332 -0.410 -2.844 7.474 1.00 0.00 O ATOM 722 CB VAL A 332 -1.475 -5.573 5.945 1.00 0.00 C ATOM 723 CG1 VAL A 332 -2.573 -5.417 4.894 1.00 0.00 C ATOM 724 CG2 VAL A 332 -0.852 -6.962 5.798 1.00 0.00 C ATOM 0 H VAL A 332 0.999 -4.778 7.329 1.00 0.00 H new ATOM 0 HA VAL A 332 -0.261 -4.316 4.669 1.00 0.00 H new ATOM 0 HB VAL A 332 -1.896 -5.460 6.944 1.00 0.00 H new ATOM 0 HG11 VAL A 332 -3.333 -6.183 5.045 1.00 0.00 H new ATOM 0 HG12 VAL A 332 -3.028 -4.431 4.987 1.00 0.00 H new ATOM 0 HG13 VAL A 332 -2.142 -5.525 3.899 1.00 0.00 H new ATOM 0 HG21 VAL A 332 -1.618 -7.722 5.948 1.00 0.00 H new ATOM 0 HG22 VAL A 332 -0.428 -7.067 4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 332 -0.065 -7.088 6.542 1.00 0.00 H new ATOM 734 N PHE A 333 -1.708 -2.457 5.732 1.00 0.00 N ATOM 735 CA PHE A 333 -2.196 -1.160 6.293 1.00 0.00 C ATOM 736 C PHE A 333 -3.709 -1.049 6.077 1.00 0.00 C ATOM 737 O PHE A 333 -4.239 -1.500 5.080 1.00 0.00 O ATOM 738 CB PHE A 333 -1.487 -0.013 5.574 1.00 0.00 C ATOM 739 CG PHE A 333 -0.001 -0.288 5.537 1.00 0.00 C ATOM 740 CD1 PHE A 333 0.802 0.038 6.638 1.00 0.00 C ATOM 741 CD2 PHE A 333 0.576 -0.874 4.403 1.00 0.00 C ATOM 742 CE1 PHE A 333 2.177 -0.219 6.604 1.00 0.00 C ATOM 743 CE2 PHE A 333 1.952 -1.132 4.369 1.00 0.00 C ATOM 744 CZ PHE A 333 2.753 -0.804 5.470 1.00 0.00 C ATOM 0 H PHE A 333 -2.098 -2.705 4.823 1.00 0.00 H new ATOM 0 HA PHE A 333 -1.983 -1.112 7.361 1.00 0.00 H new ATOM 0 HB2 PHE A 333 -1.874 0.091 4.560 1.00 0.00 H new ATOM 0 HB3 PHE A 333 -1.681 0.929 6.087 1.00 0.00 H new ATOM 0 HD1 PHE A 333 0.359 0.488 7.514 1.00 0.00 H new ATOM 0 HD2 PHE A 333 -0.041 -1.127 3.554 1.00 0.00 H new ATOM 0 HE1 PHE A 333 2.794 0.034 7.453 1.00 0.00 H new ATOM 0 HE2 PHE A 333 2.395 -1.584 3.494 1.00 0.00 H new ATOM 0 HZ PHE A 333 3.814 -1.002 5.444 1.00 0.00 H new ATOM 754 N HIS A 334 -4.413 -0.457 7.012 1.00 0.00 N ATOM 755 CA HIS A 334 -5.898 -0.318 6.876 1.00 0.00 C ATOM 756 C HIS A 334 -6.238 1.073 6.321 1.00 0.00 C ATOM 757 O HIS A 334 -7.042 1.211 5.421 1.00 0.00 O ATOM 758 CB HIS A 334 -6.544 -0.508 8.265 1.00 0.00 C ATOM 759 CG HIS A 334 -7.927 -1.094 8.122 1.00 0.00 C ATOM 760 ND1 HIS A 334 -8.662 -0.981 6.953 1.00 0.00 N ATOM 761 CD2 HIS A 334 -8.711 -1.814 8.990 1.00 0.00 C ATOM 762 CE1 HIS A 334 -9.832 -1.619 7.148 1.00 0.00 C ATOM 763 NE2 HIS A 334 -9.913 -2.144 8.372 1.00 0.00 N ATOM 0 H HIS A 334 -4.021 -0.062 7.867 1.00 0.00 H new ATOM 0 HA HIS A 334 -6.282 -1.072 6.189 1.00 0.00 H new ATOM 0 HB2 HIS A 334 -5.924 -1.165 8.875 1.00 0.00 H new ATOM 0 HB3 HIS A 334 -6.599 0.450 8.782 1.00 0.00 H new ATOM 0 HD1 HIS A 334 -8.370 -0.502 6.101 1.00 0.00 H new ATOM 0 HD2 HIS A 334 -8.436 -2.083 9.999 1.00 0.00 H new ATOM 0 HE1 HIS A 334 -10.611 -1.696 6.404 1.00 0.00 H new ATOM 771 N ASP A 335 -5.632 2.108 6.852 1.00 0.00 N ATOM 772 CA ASP A 335 -5.920 3.491 6.357 1.00 0.00 C ATOM 773 C ASP A 335 -4.871 3.882 5.311 1.00 0.00 C ATOM 774 O ASP A 335 -3.842 3.251 5.192 1.00 0.00 O ATOM 775 CB ASP A 335 -5.857 4.474 7.527 1.00 0.00 C ATOM 776 CG ASP A 335 -6.764 3.985 8.658 1.00 0.00 C ATOM 777 OD1 ASP A 335 -6.663 2.822 9.011 1.00 0.00 O ATOM 778 OD2 ASP A 335 -7.546 4.783 9.150 1.00 0.00 O ATOM 0 H ASP A 335 -4.949 2.054 7.608 1.00 0.00 H new ATOM 0 HA ASP A 335 -6.914 3.519 5.910 1.00 0.00 H new ATOM 0 HB2 ASP A 335 -4.831 4.565 7.884 1.00 0.00 H new ATOM 0 HB3 ASP A 335 -6.170 5.465 7.199 1.00 0.00 H new ATOM 783 N LYS A 336 -5.123 4.917 4.551 1.00 0.00 N ATOM 784 CA LYS A 336 -4.140 5.340 3.509 1.00 0.00 C ATOM 785 C LYS A 336 -2.969 6.100 4.145 1.00 0.00 C ATOM 786 O LYS A 336 -1.859 6.050 3.659 1.00 0.00 O ATOM 787 CB LYS A 336 -4.836 6.252 2.485 1.00 0.00 C ATOM 788 CG LYS A 336 -5.700 7.319 3.214 1.00 0.00 C ATOM 789 CD LYS A 336 -5.605 8.683 2.500 1.00 0.00 C ATOM 790 CE LYS A 336 -6.317 8.622 1.146 1.00 0.00 C ATOM 791 NZ LYS A 336 -7.776 8.841 1.347 1.00 0.00 N ATOM 0 H LYS A 336 -5.967 5.487 4.607 1.00 0.00 H new ATOM 0 HA LYS A 336 -3.755 4.448 3.015 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -4.091 6.743 1.859 1.00 0.00 H new ATOM 0 HB3 LYS A 336 -5.464 5.655 1.824 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -6.739 6.992 3.246 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -5.366 7.420 4.247 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -6.054 9.459 3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -4.559 8.955 2.357 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -5.913 9.380 0.475 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -6.144 7.654 0.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -8.263 8.800 0.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -8.155 8.102 1.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -7.931 9.774 1.780 1.00 0.00 H new ATOM 805 N THR A 337 -3.201 6.810 5.216 1.00 0.00 N ATOM 806 CA THR A 337 -2.092 7.579 5.854 1.00 0.00 C ATOM 807 C THR A 337 -1.017 6.620 6.359 1.00 0.00 C ATOM 808 O THR A 337 0.154 6.780 6.076 1.00 0.00 O ATOM 809 CB THR A 337 -2.633 8.384 7.038 1.00 0.00 C ATOM 810 OG1 THR A 337 -3.784 9.112 6.630 1.00 0.00 O ATOM 811 CG2 THR A 337 -1.553 9.353 7.530 1.00 0.00 C ATOM 0 H THR A 337 -4.108 6.891 5.676 1.00 0.00 H new ATOM 0 HA THR A 337 -1.663 8.254 5.114 1.00 0.00 H new ATOM 0 HB THR A 337 -2.905 7.707 7.848 1.00 0.00 H new ATOM 0 HG1 THR A 337 -4.132 9.626 7.388 1.00 0.00 H new ATOM 0 HG21 THR A 337 -1.936 9.927 8.373 1.00 0.00 H new ATOM 0 HG22 THR A 337 -0.674 8.790 7.844 1.00 0.00 H new ATOM 0 HG23 THR A 337 -1.279 10.032 6.723 1.00 0.00 H new ATOM 819 N LYS A 338 -1.400 5.635 7.116 1.00 0.00 N ATOM 820 CA LYS A 338 -0.400 4.679 7.653 1.00 0.00 C ATOM 821 C LYS A 338 0.544 4.232 6.525 1.00 0.00 C ATOM 822 O LYS A 338 1.732 4.076 6.724 1.00 0.00 O ATOM 823 CB LYS A 338 -1.152 3.473 8.242 1.00 0.00 C ATOM 824 CG LYS A 338 -0.374 2.852 9.412 1.00 0.00 C ATOM 825 CD LYS A 338 -1.320 1.959 10.216 1.00 0.00 C ATOM 826 CE LYS A 338 -0.565 1.319 11.385 1.00 0.00 C ATOM 827 NZ LYS A 338 -1.542 0.854 12.410 1.00 0.00 N ATOM 0 H LYS A 338 -2.366 5.451 7.387 1.00 0.00 H new ATOM 0 HA LYS A 338 0.200 5.150 8.432 1.00 0.00 H new ATOM 0 HB2 LYS A 338 -2.138 3.787 8.583 1.00 0.00 H new ATOM 0 HB3 LYS A 338 -1.307 2.723 7.466 1.00 0.00 H new ATOM 0 HG2 LYS A 338 0.468 2.269 9.038 1.00 0.00 H new ATOM 0 HG3 LYS A 338 0.038 3.635 10.049 1.00 0.00 H new ATOM 0 HD2 LYS A 338 -2.158 2.547 10.591 1.00 0.00 H new ATOM 0 HD3 LYS A 338 -1.737 1.184 9.573 1.00 0.00 H new ATOM 0 HE2 LYS A 338 0.033 0.480 11.030 1.00 0.00 H new ATOM 0 HE3 LYS A 338 0.125 2.039 11.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 338 -1.031 0.419 13.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 338 -2.095 1.664 12.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 338 -2.183 0.154 11.986 1.00 0.00 H new ATOM 841 N PHE A 339 0.026 4.029 5.345 1.00 0.00 N ATOM 842 CA PHE A 339 0.904 3.600 4.222 1.00 0.00 C ATOM 843 C PHE A 339 1.924 4.700 3.904 1.00 0.00 C ATOM 844 O PHE A 339 3.114 4.498 4.000 1.00 0.00 O ATOM 845 CB PHE A 339 0.061 3.305 2.980 1.00 0.00 C ATOM 846 CG PHE A 339 0.973 2.860 1.857 1.00 0.00 C ATOM 847 CD1 PHE A 339 1.713 1.675 1.981 1.00 0.00 C ATOM 848 CD2 PHE A 339 1.086 3.632 0.695 1.00 0.00 C ATOM 849 CE1 PHE A 339 2.560 1.264 0.946 1.00 0.00 C ATOM 850 CE2 PHE A 339 1.935 3.221 -0.341 1.00 0.00 C ATOM 851 CZ PHE A 339 2.672 2.035 -0.215 1.00 0.00 C ATOM 0 H PHE A 339 -0.961 4.141 5.111 1.00 0.00 H new ATOM 0 HA PHE A 339 1.434 2.694 4.517 1.00 0.00 H new ATOM 0 HB2 PHE A 339 -0.672 2.529 3.199 1.00 0.00 H new ATOM 0 HB3 PHE A 339 -0.495 4.194 2.683 1.00 0.00 H new ATOM 0 HD1 PHE A 339 1.629 1.078 2.877 1.00 0.00 H new ATOM 0 HD2 PHE A 339 0.518 4.545 0.597 1.00 0.00 H new ATOM 0 HE1 PHE A 339 3.128 0.350 1.044 1.00 0.00 H new ATOM 0 HE2 PHE A 339 2.022 3.818 -1.237 1.00 0.00 H new ATOM 0 HZ PHE A 339 3.326 1.717 -1.014 1.00 0.00 H new ATOM 861 N THR A 340 1.477 5.864 3.515 1.00 0.00 N ATOM 862 CA THR A 340 2.455 6.951 3.188 1.00 0.00 C ATOM 863 C THR A 340 3.484 7.070 4.315 1.00 0.00 C ATOM 864 O THR A 340 4.654 7.298 4.080 1.00 0.00 O ATOM 865 CB THR A 340 1.732 8.295 3.021 1.00 0.00 C ATOM 866 OG1 THR A 340 1.714 8.985 4.262 1.00 0.00 O ATOM 867 CG2 THR A 340 0.301 8.060 2.557 1.00 0.00 C ATOM 0 H THR A 340 0.493 6.111 3.409 1.00 0.00 H new ATOM 0 HA THR A 340 2.954 6.699 2.252 1.00 0.00 H new ATOM 0 HB THR A 340 2.260 8.892 2.277 1.00 0.00 H new ATOM 0 HG1 THR A 340 1.253 9.843 4.153 1.00 0.00 H new ATOM 0 HG21 THR A 340 -0.206 9.018 2.441 1.00 0.00 H new ATOM 0 HG22 THR A 340 0.310 7.536 1.601 1.00 0.00 H new ATOM 0 HG23 THR A 340 -0.227 7.458 3.296 1.00 0.00 H new ATOM 875 N GLN A 341 3.055 6.911 5.534 1.00 0.00 N ATOM 876 CA GLN A 341 4.007 7.006 6.673 1.00 0.00 C ATOM 877 C GLN A 341 4.921 5.789 6.653 1.00 0.00 C ATOM 878 O GLN A 341 6.095 5.884 6.945 1.00 0.00 O ATOM 879 CB GLN A 341 3.229 7.047 7.988 1.00 0.00 C ATOM 880 CG GLN A 341 2.356 8.304 8.023 1.00 0.00 C ATOM 881 CD GLN A 341 1.634 8.378 9.369 1.00 0.00 C ATOM 882 OE1 GLN A 341 1.787 7.410 10.230 1.00 0.00 O flip ATOM 883 NE2 GLN A 341 0.923 9.326 9.639 1.00 0.00 N flip ATOM 0 H GLN A 341 2.087 6.719 5.791 1.00 0.00 H new ATOM 0 HA GLN A 341 4.603 7.915 6.585 1.00 0.00 H new ATOM 0 HB2 GLN A 341 2.608 6.157 8.084 1.00 0.00 H new ATOM 0 HB3 GLN A 341 3.919 7.046 8.832 1.00 0.00 H new ATOM 0 HG2 GLN A 341 2.971 9.192 7.877 1.00 0.00 H new ATOM 0 HG3 GLN A 341 1.631 8.281 7.209 1.00 0.00 H new ATOM 0 HE21 GLN A 341 0.804 10.082 8.965 1.00 0.00 H new ATOM 0 HE22 GLN A 341 0.445 9.365 10.539 1.00 0.00 H new ATOM 892 N TYR A 342 4.402 4.644 6.298 1.00 0.00 N ATOM 893 CA TYR A 342 5.269 3.430 6.251 1.00 0.00 C ATOM 894 C TYR A 342 6.470 3.734 5.353 1.00 0.00 C ATOM 895 O TYR A 342 7.568 3.264 5.577 1.00 0.00 O ATOM 896 CB TYR A 342 4.481 2.241 5.691 1.00 0.00 C ATOM 897 CG TYR A 342 5.417 1.079 5.442 1.00 0.00 C ATOM 898 CD1 TYR A 342 5.978 0.390 6.521 1.00 0.00 C ATOM 899 CD2 TYR A 342 5.721 0.693 4.131 1.00 0.00 C ATOM 900 CE1 TYR A 342 6.844 -0.686 6.292 1.00 0.00 C ATOM 901 CE2 TYR A 342 6.587 -0.382 3.900 1.00 0.00 C ATOM 902 CZ TYR A 342 7.148 -1.072 4.982 1.00 0.00 C ATOM 903 OH TYR A 342 8.003 -2.132 4.755 1.00 0.00 O ATOM 0 H TYR A 342 3.426 4.497 6.041 1.00 0.00 H new ATOM 0 HA TYR A 342 5.607 3.173 7.255 1.00 0.00 H new ATOM 0 HB2 TYR A 342 3.700 1.947 6.393 1.00 0.00 H new ATOM 0 HB3 TYR A 342 3.985 2.526 4.763 1.00 0.00 H new ATOM 0 HD1 TYR A 342 5.743 0.688 7.532 1.00 0.00 H new ATOM 0 HD2 TYR A 342 5.287 1.225 3.297 1.00 0.00 H new ATOM 0 HE1 TYR A 342 7.277 -1.218 7.126 1.00 0.00 H new ATOM 0 HE2 TYR A 342 6.822 -0.679 2.889 1.00 0.00 H new ATOM 0 HH TYR A 342 7.933 -2.773 5.493 1.00 0.00 H new ATOM 913 N LEU A 343 6.270 4.521 4.329 1.00 0.00 N ATOM 914 CA LEU A 343 7.405 4.869 3.423 1.00 0.00 C ATOM 915 C LEU A 343 8.190 6.046 4.000 1.00 0.00 C ATOM 916 O LEU A 343 9.404 6.043 4.016 1.00 0.00 O ATOM 917 CB LEU A 343 6.887 5.246 2.035 1.00 0.00 C ATOM 918 CG LEU A 343 5.769 4.306 1.585 1.00 0.00 C ATOM 919 CD1 LEU A 343 5.217 4.838 0.275 1.00 0.00 C ATOM 920 CD2 LEU A 343 6.312 2.898 1.337 1.00 0.00 C ATOM 0 H LEU A 343 5.372 4.937 4.081 1.00 0.00 H new ATOM 0 HA LEU A 343 8.055 3.998 3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 343 6.519 6.272 2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 343 7.706 5.210 1.317 1.00 0.00 H new ATOM 0 HG LEU A 343 5.003 4.258 2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 343 4.415 4.187 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 343 4.827 5.845 0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 343 6.012 4.865 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 343 5.499 2.246 1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 343 7.075 2.934 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 343 6.749 2.509 2.257 1.00 0.00 H new ATOM 932 N SER A 344 7.512 7.059 4.468 1.00 0.00 N ATOM 933 CA SER A 344 8.236 8.231 5.037 1.00 0.00 C ATOM 934 C SER A 344 9.298 7.733 6.015 1.00 0.00 C ATOM 935 O SER A 344 10.303 8.379 6.235 1.00 0.00 O ATOM 936 CB SER A 344 7.249 9.138 5.771 1.00 0.00 C ATOM 937 OG SER A 344 7.882 10.375 6.071 1.00 0.00 O ATOM 0 H SER A 344 6.494 7.126 4.481 1.00 0.00 H new ATOM 0 HA SER A 344 8.710 8.795 4.234 1.00 0.00 H new ATOM 0 HB2 SER A 344 6.366 9.308 5.155 1.00 0.00 H new ATOM 0 HB3 SER A 344 6.909 8.658 6.689 1.00 0.00 H new ATOM 0 HG SER A 344 7.251 10.960 6.541 1.00 0.00 H new ATOM 943 N THR A 345 9.086 6.579 6.596 1.00 0.00 N ATOM 944 CA THR A 345 10.086 6.018 7.554 1.00 0.00 C ATOM 945 C THR A 345 10.984 5.020 6.815 1.00 0.00 C ATOM 946 O THR A 345 11.966 4.541 7.351 1.00 0.00 O ATOM 947 CB THR A 345 9.357 5.335 8.720 1.00 0.00 C ATOM 948 OG1 THR A 345 10.304 4.923 9.695 1.00 0.00 O ATOM 949 CG2 THR A 345 8.571 4.121 8.223 1.00 0.00 C ATOM 0 H THR A 345 8.260 5.999 6.447 1.00 0.00 H new ATOM 0 HA THR A 345 10.706 6.818 7.958 1.00 0.00 H new ATOM 0 HB THR A 345 8.659 6.046 9.163 1.00 0.00 H new ATOM 0 HG1 THR A 345 11.160 4.728 9.258 1.00 0.00 H new ATOM 0 HG21 THR A 345 8.061 3.649 9.063 1.00 0.00 H new ATOM 0 HG22 THR A 345 7.836 4.441 7.485 1.00 0.00 H new ATOM 0 HG23 THR A 345 9.256 3.406 7.767 1.00 0.00 H new ATOM 957 N ASN A 346 10.660 4.711 5.576 1.00 0.00 N ATOM 958 CA ASN A 346 11.494 3.754 4.778 1.00 0.00 C ATOM 959 C ASN A 346 11.854 4.431 3.448 1.00 0.00 C ATOM 960 O ASN A 346 11.257 4.160 2.426 1.00 0.00 O ATOM 961 CB ASN A 346 10.689 2.464 4.521 1.00 0.00 C ATOM 962 CG ASN A 346 11.279 1.686 3.338 1.00 0.00 C ATOM 963 OD1 ASN A 346 10.748 1.825 2.153 1.00 0.00 O flip ATOM 964 ND2 ASN A 346 12.229 0.944 3.495 1.00 0.00 N flip ATOM 0 H ASN A 346 9.849 5.084 5.083 1.00 0.00 H new ATOM 0 HA ASN A 346 12.404 3.492 5.318 1.00 0.00 H new ATOM 0 HB2 ASN A 346 10.698 1.840 5.414 1.00 0.00 H new ATOM 0 HB3 ASN A 346 9.648 2.713 4.316 1.00 0.00 H new ATOM 0 HD21 ASN A 346 12.644 0.835 4.420 1.00 0.00 H new ATOM 0 HD22 ASN A 346 12.611 0.430 2.701 1.00 0.00 H new ATOM 971 N PRO A 347 12.821 5.315 3.467 1.00 0.00 N ATOM 972 CA PRO A 347 13.263 6.048 2.247 1.00 0.00 C ATOM 973 C PRO A 347 13.466 5.109 1.057 1.00 0.00 C ATOM 974 O PRO A 347 13.236 5.473 -0.074 1.00 0.00 O ATOM 975 CB PRO A 347 14.590 6.691 2.674 1.00 0.00 C ATOM 976 CG PRO A 347 14.462 6.875 4.151 1.00 0.00 C ATOM 977 CD PRO A 347 13.602 5.709 4.650 1.00 0.00 C ATOM 0 HA PRO A 347 12.523 6.774 1.910 1.00 0.00 H new ATOM 0 HB2 PRO A 347 15.438 6.052 2.426 1.00 0.00 H new ATOM 0 HB3 PRO A 347 14.750 7.643 2.168 1.00 0.00 H new ATOM 0 HG2 PRO A 347 15.441 6.871 4.631 1.00 0.00 H new ATOM 0 HG3 PRO A 347 13.996 7.832 4.386 1.00 0.00 H new ATOM 0 HD2 PRO A 347 14.217 4.886 5.015 1.00 0.00 H new ATOM 0 HD3 PRO A 347 12.955 6.013 5.473 1.00 0.00 H new ATOM 985 N ALA A 348 13.894 3.900 1.312 1.00 0.00 N ATOM 986 CA ALA A 348 14.117 2.923 0.205 1.00 0.00 C ATOM 987 C ALA A 348 12.961 2.987 -0.797 1.00 0.00 C ATOM 988 O ALA A 348 13.155 3.253 -1.971 1.00 0.00 O ATOM 989 CB ALA A 348 14.201 1.511 0.788 1.00 0.00 C ATOM 0 H ALA A 348 14.100 3.545 2.246 1.00 0.00 H new ATOM 0 HA ALA A 348 15.047 3.171 -0.307 1.00 0.00 H new ATOM 0 HB1 ALA A 348 14.364 0.794 -0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 348 15.029 1.458 1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 348 13.270 1.274 1.302 1.00 0.00 H new ATOM 995 N LEU A 349 11.759 2.758 -0.347 1.00 0.00 N ATOM 996 CA LEU A 349 10.606 2.818 -1.281 1.00 0.00 C ATOM 997 C LEU A 349 10.347 4.279 -1.632 1.00 0.00 C ATOM 998 O LEU A 349 10.298 4.647 -2.784 1.00 0.00 O ATOM 999 CB LEU A 349 9.351 2.234 -0.629 1.00 0.00 C ATOM 1000 CG LEU A 349 9.431 0.704 -0.529 1.00 0.00 C ATOM 1001 CD1 LEU A 349 8.110 0.181 0.049 1.00 0.00 C ATOM 1002 CD2 LEU A 349 9.669 0.056 -1.908 1.00 0.00 C ATOM 0 H LEU A 349 11.528 2.534 0.621 1.00 0.00 H new ATOM 0 HA LEU A 349 10.837 2.238 -2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 349 9.225 2.659 0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 349 8.473 2.517 -1.209 1.00 0.00 H new ATOM 0 HG LEU A 349 10.271 0.444 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 349 8.151 -0.905 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 349 7.951 0.609 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 349 7.287 0.467 -0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 349 9.720 -1.027 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 349 8.849 0.314 -2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 349 10.607 0.422 -2.325 1.00 0.00 H new ATOM 1014 N GLN A 350 10.185 5.121 -0.642 1.00 0.00 N ATOM 1015 CA GLN A 350 9.934 6.566 -0.919 1.00 0.00 C ATOM 1016 C GLN A 350 10.915 7.042 -1.999 1.00 0.00 C ATOM 1017 O GLN A 350 10.623 7.937 -2.769 1.00 0.00 O ATOM 1018 CB GLN A 350 10.118 7.369 0.396 1.00 0.00 C ATOM 1019 CG GLN A 350 8.814 8.078 0.793 1.00 0.00 C ATOM 1020 CD GLN A 350 8.607 9.308 -0.095 1.00 0.00 C ATOM 1021 OE1 GLN A 350 7.719 9.331 -0.924 1.00 0.00 O ATOM 1022 NE2 GLN A 350 9.393 10.341 0.046 1.00 0.00 N ATOM 0 H GLN A 350 10.216 4.869 0.346 1.00 0.00 H new ATOM 0 HA GLN A 350 8.917 6.720 -1.281 1.00 0.00 H new ATOM 0 HB2 GLN A 350 10.430 6.698 1.196 1.00 0.00 H new ATOM 0 HB3 GLN A 350 10.912 8.104 0.269 1.00 0.00 H new ATOM 0 HG2 GLN A 350 7.971 7.395 0.688 1.00 0.00 H new ATOM 0 HG3 GLN A 350 8.855 8.376 1.841 1.00 0.00 H new ATOM 0 HE21 GLN A 350 10.139 10.323 0.742 1.00 0.00 H new ATOM 0 HE22 GLN A 350 9.261 11.166 -0.539 1.00 0.00 H new ATOM 1031 N ARG A 351 12.066 6.426 -2.081 1.00 0.00 N ATOM 1032 CA ARG A 351 13.040 6.814 -3.121 1.00 0.00 C ATOM 1033 C ARG A 351 12.415 6.507 -4.478 1.00 0.00 C ATOM 1034 O ARG A 351 12.202 7.384 -5.294 1.00 0.00 O ATOM 1035 CB ARG A 351 14.320 5.989 -2.942 1.00 0.00 C ATOM 1036 CG ARG A 351 15.449 6.644 -3.723 1.00 0.00 C ATOM 1037 CD ARG A 351 16.623 5.669 -3.854 1.00 0.00 C ATOM 1038 NE ARG A 351 16.711 4.827 -2.630 1.00 0.00 N ATOM 1039 CZ ARG A 351 17.451 3.750 -2.636 1.00 0.00 C ATOM 1040 NH1 ARG A 351 18.118 3.425 -3.712 1.00 0.00 N ATOM 1041 NH2 ARG A 351 17.525 2.998 -1.574 1.00 0.00 N ATOM 0 H ARG A 351 12.366 5.669 -1.466 1.00 0.00 H new ATOM 0 HA ARG A 351 13.288 7.873 -3.048 1.00 0.00 H new ATOM 0 HB2 ARG A 351 14.581 5.925 -1.886 1.00 0.00 H new ATOM 0 HB3 ARG A 351 14.162 4.969 -3.293 1.00 0.00 H new ATOM 0 HG2 ARG A 351 15.097 6.938 -4.712 1.00 0.00 H new ATOM 0 HG3 ARG A 351 15.774 7.553 -3.217 1.00 0.00 H new ATOM 0 HD2 ARG A 351 16.489 5.038 -4.733 1.00 0.00 H new ATOM 0 HD3 ARG A 351 17.553 6.220 -3.996 1.00 0.00 H new ATOM 0 HE ARG A 351 16.196 5.090 -1.790 1.00 0.00 H new ATOM 0 HH11 ARG A 351 18.060 4.012 -4.544 1.00 0.00 H new ATOM 0 HH12 ARG A 351 18.696 2.585 -3.719 1.00 0.00 H new ATOM 0 HH21 ARG A 351 17.004 3.249 -0.734 1.00 0.00 H new ATOM 0 HH22 ARG A 351 18.104 2.158 -1.583 1.00 0.00 H new ATOM 1055 N ILE A 352 12.092 5.264 -4.711 1.00 0.00 N ATOM 1056 CA ILE A 352 11.447 4.891 -6.004 1.00 0.00 C ATOM 1057 C ILE A 352 9.974 5.286 -5.940 1.00 0.00 C ATOM 1058 O ILE A 352 9.489 6.074 -6.725 1.00 0.00 O ATOM 1059 CB ILE A 352 11.550 3.378 -6.214 1.00 0.00 C ATOM 1060 CG1 ILE A 352 13.014 2.940 -6.109 1.00 0.00 C ATOM 1061 CG2 ILE A 352 11.008 3.019 -7.603 1.00 0.00 C ATOM 1062 CD1 ILE A 352 13.091 1.413 -6.050 1.00 0.00 C ATOM 0 H ILE A 352 12.246 4.491 -4.064 1.00 0.00 H new ATOM 0 HA ILE A 352 11.944 5.403 -6.828 1.00 0.00 H new ATOM 0 HB ILE A 352 10.965 2.866 -5.449 1.00 0.00 H new ATOM 0 HG12 ILE A 352 13.577 3.310 -6.966 1.00 0.00 H new ATOM 0 HG13 ILE A 352 13.470 3.372 -5.218 1.00 0.00 H new ATOM 0 HG21 ILE A 352 11.080 1.942 -7.755 1.00 0.00 H new ATOM 0 HG22 ILE A 352 9.965 3.327 -7.677 1.00 0.00 H new ATOM 0 HG23 ILE A 352 11.593 3.533 -8.366 1.00 0.00 H new ATOM 0 HD11 ILE A 352 14.134 1.104 -5.975 1.00 0.00 H new ATOM 0 HD12 ILE A 352 12.543 1.054 -5.179 1.00 0.00 H new ATOM 0 HD13 ILE A 352 12.651 0.991 -6.954 1.00 0.00 H new ATOM 1074 N ILE A 353 9.269 4.746 -4.989 1.00 0.00 N ATOM 1075 CA ILE A 353 7.828 5.073 -4.826 1.00 0.00 C ATOM 1076 C ILE A 353 7.676 6.572 -4.547 1.00 0.00 C ATOM 1077 O ILE A 353 7.908 7.401 -5.404 1.00 0.00 O ATOM 1078 CB ILE A 353 7.285 4.276 -3.638 1.00 0.00 C ATOM 1079 CG1 ILE A 353 7.625 2.790 -3.820 1.00 0.00 C ATOM 1080 CG2 ILE A 353 5.773 4.451 -3.529 1.00 0.00 C ATOM 1081 CD1 ILE A 353 7.148 2.295 -5.189 1.00 0.00 C ATOM 0 H ILE A 353 9.636 4.082 -4.307 1.00 0.00 H new ATOM 0 HA ILE A 353 7.278 4.820 -5.732 1.00 0.00 H new ATOM 0 HB ILE A 353 7.746 4.646 -2.722 1.00 0.00 H new ATOM 0 HG12 ILE A 353 8.701 2.643 -3.728 1.00 0.00 H new ATOM 0 HG13 ILE A 353 7.155 2.204 -3.031 1.00 0.00 H new ATOM 0 HG21 ILE A 353 5.401 3.878 -2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 353 5.538 5.506 -3.386 1.00 0.00 H new ATOM 0 HG23 ILE A 353 5.299 4.094 -4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 353 7.397 1.240 -5.301 1.00 0.00 H new ATOM 0 HD12 ILE A 353 6.068 2.423 -5.266 1.00 0.00 H new ATOM 0 HD13 ILE A 353 7.639 2.869 -5.975 1.00 0.00 H new