USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=21 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= -8.45! C(o=-15!,f=-22!) USER MOD Set 1.2: A 312 CYS SG : rot -54:sc= -6.95! USER MOD Single : A 290 SER OG : rot -130:sc= -0.35 USER MOD Single : A 293 THR OG1 : rot 145:sc= -0.0212 USER MOD Single : A 294 MET CE :methyl -111:sc= 0 (180deg=-0.394) USER MOD Single : A 295 LYS NZ :NH3+ -110:sc= -0.597 (180deg=-2.94!) USER MOD Single : A 301 THR OG1 : rot 51:sc= -0.0152 USER MOD Single : A 305 GLN :FLIP amide:sc= -3.95! C(o=-6.9!,f=-3.9!) USER MOD Single : A 306 THR OG1 : rot 180:sc= 0 USER MOD Single : A 311 LYS NZ :NH3+ 154:sc= -1.56! (180deg=-2.23!) USER MOD Single : A 313 GLN : amide:sc= -0.115 K(o=-0.12,f=-2.3!) 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 150:sc= -0.995 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+ 164:sc= -0.0243 (180deg=-0.536) USER MOD Single : A 334 HIS : no HE2:sc= 0.595 K(o=0.6,f=-3.2!) 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 81:sc= 1.17 USER MOD Single : A 341 GLN : amide:sc= -0.682 K(o=-0.68,f=-1.8!) USER MOD Single : A 342 TYR OH : rot 30:sc= -0.194 USER MOD Single : A 344 SER OG : rot 180:sc= 0 USER MOD Single : A 345 THR OG1 : rot -33:sc= 0.0771 USER MOD Single : A 346 ASN : amide:sc=-0.000733 X(o=-0.00073,f=-0.41) USER MOD Single : A 350 GLN :FLIP amide:sc= -0.243 F(o=-0.94,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 289 -19.035 3.942 3.481 1.00 0.00 N ATOM 2 CA PHE A 289 -17.978 3.114 2.833 1.00 0.00 C ATOM 3 C PHE A 289 -17.535 3.785 1.534 1.00 0.00 C ATOM 4 O PHE A 289 -16.367 3.825 1.198 1.00 0.00 O ATOM 5 CB PHE A 289 -18.547 1.729 2.504 1.00 0.00 C ATOM 6 CG PHE A 289 -18.948 1.035 3.782 1.00 0.00 C ATOM 7 CD1 PHE A 289 -20.235 1.215 4.299 1.00 0.00 C ATOM 8 CD2 PHE A 289 -18.031 0.216 4.449 1.00 0.00 C ATOM 9 CE1 PHE A 289 -20.608 0.575 5.486 1.00 0.00 C ATOM 10 CE2 PHE A 289 -18.403 -0.426 5.637 1.00 0.00 C ATOM 11 CZ PHE A 289 -19.691 -0.246 6.156 1.00 0.00 C ATOM 0 HA PHE A 289 -17.129 3.016 3.510 1.00 0.00 H new ATOM 0 HB2 PHE A 289 -19.409 1.825 1.844 1.00 0.00 H new ATOM 0 HB3 PHE A 289 -17.803 1.135 1.973 1.00 0.00 H new ATOM 0 HD1 PHE A 289 -20.941 1.848 3.782 1.00 0.00 H new ATOM 0 HD2 PHE A 289 -17.037 0.079 4.049 1.00 0.00 H new ATOM 0 HE1 PHE A 289 -21.602 0.714 5.886 1.00 0.00 H new ATOM 0 HE2 PHE A 289 -17.697 -1.060 6.153 1.00 0.00 H new ATOM 0 HZ PHE A 289 -19.978 -0.740 7.073 1.00 0.00 H new ATOM 21 N SER A 290 -18.478 4.298 0.802 1.00 0.00 N ATOM 22 CA SER A 290 -18.171 4.963 -0.494 1.00 0.00 C ATOM 23 C SER A 290 -17.059 6.011 -0.329 1.00 0.00 C ATOM 24 O SER A 290 -16.113 6.032 -1.087 1.00 0.00 O ATOM 25 CB SER A 290 -19.453 5.622 -1.040 1.00 0.00 C ATOM 26 OG SER A 290 -19.231 7.010 -1.268 1.00 0.00 O ATOM 0 H SER A 290 -19.467 4.285 1.050 1.00 0.00 H new ATOM 0 HA SER A 290 -17.815 4.213 -1.200 1.00 0.00 H new ATOM 0 HB2 SER A 290 -19.754 5.137 -1.968 1.00 0.00 H new ATOM 0 HB3 SER A 290 -20.270 5.488 -0.331 1.00 0.00 H new ATOM 0 HG SER A 290 -19.949 7.529 -0.850 1.00 0.00 H new ATOM 32 N PRO A 291 -17.177 6.894 0.625 1.00 0.00 N ATOM 33 CA PRO A 291 -16.170 7.967 0.846 1.00 0.00 C ATOM 34 C PRO A 291 -14.996 7.540 1.740 1.00 0.00 C ATOM 35 O PRO A 291 -13.865 7.909 1.505 1.00 0.00 O ATOM 36 CB PRO A 291 -16.999 9.053 1.527 1.00 0.00 C ATOM 37 CG PRO A 291 -17.983 8.294 2.359 1.00 0.00 C ATOM 38 CD PRO A 291 -18.277 6.987 1.601 1.00 0.00 C ATOM 0 HA PRO A 291 -15.689 8.271 -0.083 1.00 0.00 H new ATOM 0 HB2 PRO A 291 -16.376 9.704 2.141 1.00 0.00 H new ATOM 0 HB3 PRO A 291 -17.501 9.688 0.797 1.00 0.00 H new ATOM 0 HG2 PRO A 291 -17.576 8.086 3.348 1.00 0.00 H new ATOM 0 HG3 PRO A 291 -18.896 8.872 2.505 1.00 0.00 H new ATOM 0 HD2 PRO A 291 -18.290 6.129 2.273 1.00 0.00 H new ATOM 0 HD3 PRO A 291 -19.248 7.020 1.108 1.00 0.00 H new ATOM 46 N GLU A 292 -15.254 6.803 2.785 1.00 0.00 N ATOM 47 CA GLU A 292 -14.150 6.393 3.703 1.00 0.00 C ATOM 48 C GLU A 292 -13.508 5.067 3.251 1.00 0.00 C ATOM 49 O GLU A 292 -12.311 4.977 3.049 1.00 0.00 O ATOM 50 CB GLU A 292 -14.748 6.261 5.120 1.00 0.00 C ATOM 51 CG GLU A 292 -13.970 5.241 5.957 1.00 0.00 C ATOM 52 CD GLU A 292 -14.343 5.394 7.433 1.00 0.00 C ATOM 53 OE1 GLU A 292 -15.432 4.977 7.794 1.00 0.00 O ATOM 54 OE2 GLU A 292 -13.535 5.924 8.177 1.00 0.00 O ATOM 0 H GLU A 292 -16.181 6.466 3.044 1.00 0.00 H new ATOM 0 HA GLU A 292 -13.358 7.142 3.692 1.00 0.00 H new ATOM 0 HB2 GLU A 292 -14.731 7.231 5.616 1.00 0.00 H new ATOM 0 HB3 GLU A 292 -15.792 5.957 5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 292 -14.196 4.230 5.618 1.00 0.00 H new ATOM 0 HG3 GLU A 292 -12.898 5.390 5.825 1.00 0.00 H new ATOM 61 N THR A 293 -14.291 4.034 3.147 1.00 0.00 N ATOM 62 CA THR A 293 -13.742 2.693 2.777 1.00 0.00 C ATOM 63 C THR A 293 -13.273 2.638 1.329 1.00 0.00 C ATOM 64 O THR A 293 -12.201 2.149 1.036 1.00 0.00 O ATOM 65 CB THR A 293 -14.841 1.649 2.956 1.00 0.00 C ATOM 66 OG1 THR A 293 -15.345 1.707 4.282 1.00 0.00 O ATOM 67 CG2 THR A 293 -14.287 0.254 2.677 1.00 0.00 C ATOM 0 H THR A 293 -15.299 4.056 3.303 1.00 0.00 H new ATOM 0 HA THR A 293 -12.885 2.499 3.422 1.00 0.00 H new ATOM 0 HB THR A 293 -15.648 1.858 2.253 1.00 0.00 H new ATOM 0 HG1 THR A 293 -16.305 1.511 4.276 1.00 0.00 H new ATOM 0 HG21 THR A 293 -15.078 -0.484 2.807 1.00 0.00 H new ATOM 0 HG22 THR A 293 -13.913 0.209 1.654 1.00 0.00 H new ATOM 0 HG23 THR A 293 -13.474 0.040 3.370 1.00 0.00 H new ATOM 75 N MET A 294 -14.079 3.075 0.415 1.00 0.00 N ATOM 76 CA MET A 294 -13.678 2.971 -1.010 1.00 0.00 C ATOM 77 C MET A 294 -12.430 3.818 -1.262 1.00 0.00 C ATOM 78 O MET A 294 -11.518 3.389 -1.936 1.00 0.00 O ATOM 79 CB MET A 294 -14.840 3.423 -1.902 1.00 0.00 C ATOM 80 CG MET A 294 -14.837 2.625 -3.211 1.00 0.00 C ATOM 81 SD MET A 294 -16.223 3.163 -4.248 1.00 0.00 S ATOM 82 CE MET A 294 -17.537 2.186 -3.463 1.00 0.00 C ATOM 0 H MET A 294 -14.992 3.497 0.587 1.00 0.00 H new ATOM 0 HA MET A 294 -13.439 1.935 -1.251 1.00 0.00 H new ATOM 0 HB2 MET A 294 -15.787 3.279 -1.381 1.00 0.00 H new ATOM 0 HB3 MET A 294 -14.752 4.488 -2.116 1.00 0.00 H new ATOM 0 HG2 MET A 294 -13.895 2.774 -3.738 1.00 0.00 H new ATOM 0 HG3 MET A 294 -14.919 1.559 -3.000 1.00 0.00 H new ATOM 0 HE1 MET A 294 -17.871 1.408 -4.149 1.00 0.00 H new ATOM 0 HE2 MET A 294 -17.154 1.726 -2.552 1.00 0.00 H new ATOM 0 HE3 MET A 294 -18.376 2.837 -3.216 1.00 0.00 H new ATOM 92 N LYS A 295 -12.362 5.002 -0.719 1.00 0.00 N ATOM 93 CA LYS A 295 -11.144 5.832 -0.935 1.00 0.00 C ATOM 94 C LYS A 295 -9.935 5.000 -0.515 1.00 0.00 C ATOM 95 O LYS A 295 -8.910 5.014 -1.163 1.00 0.00 O ATOM 96 CB LYS A 295 -11.237 7.126 -0.104 1.00 0.00 C ATOM 97 CG LYS A 295 -11.818 8.268 -0.954 1.00 0.00 C ATOM 98 CD LYS A 295 -13.185 7.864 -1.525 1.00 0.00 C ATOM 99 CE LYS A 295 -13.925 9.113 -2.018 1.00 0.00 C ATOM 100 NZ LYS A 295 -15.314 8.749 -2.417 1.00 0.00 N ATOM 0 H LYS A 295 -13.088 5.427 -0.142 1.00 0.00 H new ATOM 0 HA LYS A 295 -11.050 6.118 -1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 295 -11.865 6.959 0.771 1.00 0.00 H new ATOM 0 HB3 LYS A 295 -10.248 7.403 0.262 1.00 0.00 H new ATOM 0 HG2 LYS A 295 -11.921 9.167 -0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 295 -11.134 8.510 -1.767 1.00 0.00 H new ATOM 0 HD2 LYS A 295 -13.054 7.159 -2.346 1.00 0.00 H new ATOM 0 HD3 LYS A 295 -13.774 7.357 -0.761 1.00 0.00 H new ATOM 0 HE2 LYS A 295 -13.948 9.868 -1.232 1.00 0.00 H new ATOM 0 HE3 LYS A 295 -13.396 9.551 -2.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 295 -15.407 8.817 -3.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 295 -15.518 7.775 -2.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 295 -15.987 9.401 -1.965 1.00 0.00 H new ATOM 114 N ALA A 296 -10.056 4.242 0.539 1.00 0.00 N ATOM 115 CA ALA A 296 -8.915 3.383 0.945 1.00 0.00 C ATOM 116 C ALA A 296 -8.735 2.331 -0.149 1.00 0.00 C ATOM 117 O ALA A 296 -7.636 1.984 -0.529 1.00 0.00 O ATOM 118 CB ALA A 296 -9.220 2.699 2.278 1.00 0.00 C ATOM 0 H ALA A 296 -10.886 4.182 1.129 1.00 0.00 H new ATOM 0 HA ALA A 296 -8.009 3.976 1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 296 -8.377 2.072 2.566 1.00 0.00 H new ATOM 0 HB2 ALA A 296 -9.389 3.455 3.045 1.00 0.00 H new ATOM 0 HB3 ALA A 296 -10.113 2.082 2.175 1.00 0.00 H new ATOM 124 N ARG A 297 -9.830 1.845 -0.671 1.00 0.00 N ATOM 125 CA ARG A 297 -9.776 0.837 -1.761 1.00 0.00 C ATOM 126 C ARG A 297 -9.200 1.500 -3.018 1.00 0.00 C ATOM 127 O ARG A 297 -8.549 0.869 -3.827 1.00 0.00 O ATOM 128 CB ARG A 297 -11.201 0.337 -2.036 1.00 0.00 C ATOM 129 CG ARG A 297 -11.158 -0.994 -2.785 1.00 0.00 C ATOM 130 CD ARG A 297 -12.589 -1.443 -3.091 1.00 0.00 C ATOM 131 NE ARG A 297 -12.577 -2.855 -3.567 1.00 0.00 N ATOM 132 CZ ARG A 297 -13.689 -3.537 -3.614 1.00 0.00 C ATOM 133 NH1 ARG A 297 -14.810 -2.982 -3.245 1.00 0.00 N ATOM 134 NH2 ARG A 297 -13.679 -4.773 -4.033 1.00 0.00 N ATOM 0 H ARG A 297 -10.771 2.110 -0.381 1.00 0.00 H new ATOM 0 HA ARG A 297 -9.144 -0.005 -1.477 1.00 0.00 H new ATOM 0 HB2 ARG A 297 -11.740 0.216 -1.096 1.00 0.00 H new ATOM 0 HB3 ARG A 297 -11.746 1.076 -2.623 1.00 0.00 H new ATOM 0 HG2 ARG A 297 -10.592 -0.887 -3.710 1.00 0.00 H new ATOM 0 HG3 ARG A 297 -10.648 -1.747 -2.184 1.00 0.00 H new ATOM 0 HD2 ARG A 297 -13.208 -1.355 -2.198 1.00 0.00 H new ATOM 0 HD3 ARG A 297 -13.030 -0.796 -3.850 1.00 0.00 H new ATOM 0 HE ARG A 297 -11.700 -3.288 -3.856 1.00 0.00 H new ATOM 0 HH11 ARG A 297 -14.818 -2.015 -2.920 1.00 0.00 H new ATOM 0 HH12 ARG A 297 -15.679 -3.515 -3.282 1.00 0.00 H new ATOM 0 HH21 ARG A 297 -12.802 -5.206 -4.324 1.00 0.00 H new ATOM 0 HH22 ARG A 297 -14.548 -5.306 -4.070 1.00 0.00 H new ATOM 148 N ARG A 298 -9.421 2.777 -3.177 1.00 0.00 N ATOM 149 CA ARG A 298 -8.874 3.483 -4.367 1.00 0.00 C ATOM 150 C ARG A 298 -7.392 3.747 -4.115 1.00 0.00 C ATOM 151 O ARG A 298 -6.545 3.448 -4.933 1.00 0.00 O ATOM 152 CB ARG A 298 -9.616 4.807 -4.570 1.00 0.00 C ATOM 153 CG ARG A 298 -9.315 5.372 -5.969 1.00 0.00 C ATOM 154 CD ARG A 298 -10.036 4.555 -7.059 1.00 0.00 C ATOM 155 NE ARG A 298 -10.259 5.419 -8.252 1.00 0.00 N ATOM 156 CZ ARG A 298 -10.574 4.879 -9.399 1.00 0.00 C ATOM 157 NH1 ARG A 298 -10.694 3.583 -9.501 1.00 0.00 N ATOM 158 NH2 ARG A 298 -10.770 5.636 -10.443 1.00 0.00 N ATOM 0 H ARG A 298 -9.957 3.360 -2.534 1.00 0.00 H new ATOM 0 HA ARG A 298 -9.002 2.876 -5.264 1.00 0.00 H new ATOM 0 HB2 ARG A 298 -10.689 4.653 -4.454 1.00 0.00 H new ATOM 0 HB3 ARG A 298 -9.313 5.524 -3.807 1.00 0.00 H new ATOM 0 HG2 ARG A 298 -9.632 6.414 -6.021 1.00 0.00 H new ATOM 0 HG3 ARG A 298 -8.240 5.356 -6.148 1.00 0.00 H new ATOM 0 HD2 ARG A 298 -9.440 3.684 -7.332 1.00 0.00 H new ATOM 0 HD3 ARG A 298 -10.988 4.183 -6.681 1.00 0.00 H new ATOM 0 HE ARG A 298 -10.166 6.432 -8.173 1.00 0.00 H new ATOM 0 HH11 ARG A 298 -10.542 2.991 -8.685 1.00 0.00 H new ATOM 0 HH12 ARG A 298 -10.940 3.163 -10.397 1.00 0.00 H new ATOM 0 HH21 ARG A 298 -10.677 6.649 -10.363 1.00 0.00 H new ATOM 0 HH22 ARG A 298 -11.016 5.215 -11.339 1.00 0.00 H new ATOM 172 N ALA A 299 -7.072 4.279 -2.965 1.00 0.00 N ATOM 173 CA ALA A 299 -5.643 4.532 -2.637 1.00 0.00 C ATOM 174 C ALA A 299 -4.889 3.213 -2.794 1.00 0.00 C ATOM 175 O ALA A 299 -3.692 3.179 -2.994 1.00 0.00 O ATOM 176 CB ALA A 299 -5.528 5.019 -1.191 1.00 0.00 C ATOM 0 H ALA A 299 -7.739 4.548 -2.241 1.00 0.00 H new ATOM 0 HA ALA A 299 -5.227 5.292 -3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 299 -4.481 5.204 -0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 299 -6.096 5.942 -1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 299 -5.925 4.259 -0.518 1.00 0.00 H new ATOM 182 N TRP A 300 -5.607 2.129 -2.727 1.00 0.00 N ATOM 183 CA TRP A 300 -4.985 0.790 -2.890 1.00 0.00 C ATOM 184 C TRP A 300 -4.905 0.478 -4.384 1.00 0.00 C ATOM 185 O TRP A 300 -4.105 -0.325 -4.820 1.00 0.00 O ATOM 186 CB TRP A 300 -5.865 -0.254 -2.210 1.00 0.00 C ATOM 187 CG TRP A 300 -5.914 -0.096 -0.705 1.00 0.00 C ATOM 188 CD1 TRP A 300 -6.794 -0.777 0.066 1.00 0.00 C ATOM 189 CD2 TRP A 300 -5.116 0.733 0.234 1.00 0.00 C ATOM 190 NE1 TRP A 300 -6.587 -0.461 1.390 1.00 0.00 N ATOM 191 CE2 TRP A 300 -5.577 0.455 1.551 1.00 0.00 C ATOM 192 CE3 TRP A 300 -4.055 1.670 0.108 1.00 0.00 C ATOM 193 CZ2 TRP A 300 -5.019 1.062 2.674 1.00 0.00 C ATOM 194 CZ3 TRP A 300 -3.500 2.278 1.246 1.00 0.00 C ATOM 195 CH2 TRP A 300 -3.979 1.971 2.523 1.00 0.00 C ATOM 0 H TRP A 300 -6.614 2.115 -2.564 1.00 0.00 H new ATOM 0 HA TRP A 300 -3.990 0.776 -2.445 1.00 0.00 H new ATOM 0 HB2 TRP A 300 -6.877 -0.185 -2.610 1.00 0.00 H new ATOM 0 HB3 TRP A 300 -5.493 -1.249 -2.454 1.00 0.00 H new ATOM 0 HD1 TRP A 300 -7.543 -1.463 -0.301 1.00 0.00 H new ATOM 0 HE1 TRP A 300 -7.122 -0.861 2.161 1.00 0.00 H new ATOM 0 HE3 TRP A 300 -3.672 1.917 -0.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 300 -5.394 0.827 3.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 300 -2.695 2.990 1.133 1.00 0.00 H new ATOM 0 HH2 TRP A 300 -3.541 2.440 3.392 1.00 0.00 H new ATOM 206 N THR A 301 -5.719 1.123 -5.172 1.00 0.00 N ATOM 207 CA THR A 301 -5.688 0.883 -6.641 1.00 0.00 C ATOM 208 C THR A 301 -4.525 1.668 -7.263 1.00 0.00 C ATOM 209 O THR A 301 -3.718 1.134 -7.998 1.00 0.00 O ATOM 210 CB THR A 301 -7.002 1.363 -7.256 1.00 0.00 C ATOM 211 OG1 THR A 301 -8.087 0.938 -6.445 1.00 0.00 O ATOM 212 CG2 THR A 301 -7.156 0.785 -8.664 1.00 0.00 C ATOM 0 H THR A 301 -6.407 1.809 -4.860 1.00 0.00 H new ATOM 0 HA THR A 301 -5.555 -0.182 -6.834 1.00 0.00 H new ATOM 0 HB THR A 301 -6.996 2.451 -7.315 1.00 0.00 H new ATOM 0 HG1 THR A 301 -7.919 1.194 -5.514 1.00 0.00 H new ATOM 0 HG21 THR A 301 -8.094 1.130 -9.098 1.00 0.00 H new ATOM 0 HG22 THR A 301 -6.325 1.116 -9.286 1.00 0.00 H new ATOM 0 HG23 THR A 301 -7.159 -0.304 -8.612 1.00 0.00 H new ATOM 220 N ASP A 302 -4.447 2.939 -6.977 1.00 0.00 N ATOM 221 CA ASP A 302 -3.354 3.774 -7.552 1.00 0.00 C ATOM 222 C ASP A 302 -1.993 3.209 -7.145 1.00 0.00 C ATOM 223 O ASP A 302 -1.102 3.061 -7.957 1.00 0.00 O ATOM 224 CB ASP A 302 -3.483 5.207 -7.029 1.00 0.00 C ATOM 225 CG ASP A 302 -2.513 6.115 -7.785 1.00 0.00 C ATOM 226 OD1 ASP A 302 -1.320 5.881 -7.693 1.00 0.00 O ATOM 227 OD2 ASP A 302 -2.981 7.030 -8.442 1.00 0.00 O ATOM 0 H ASP A 302 -5.096 3.437 -6.367 1.00 0.00 H new ATOM 0 HA ASP A 302 -3.434 3.767 -8.639 1.00 0.00 H new ATOM 0 HB2 ASP A 302 -4.506 5.562 -7.158 1.00 0.00 H new ATOM 0 HB3 ASP A 302 -3.268 5.236 -5.961 1.00 0.00 H new ATOM 232 N VAL A 303 -1.814 2.895 -5.896 1.00 0.00 N ATOM 233 CA VAL A 303 -0.504 2.353 -5.461 1.00 0.00 C ATOM 234 C VAL A 303 -0.333 0.936 -6.012 1.00 0.00 C ATOM 235 O VAL A 303 0.769 0.487 -6.253 1.00 0.00 O ATOM 236 CB VAL A 303 -0.448 2.328 -3.932 1.00 0.00 C ATOM 237 CG1 VAL A 303 -0.755 3.725 -3.384 1.00 0.00 C ATOM 238 CG2 VAL A 303 -1.479 1.326 -3.400 1.00 0.00 C ATOM 0 H VAL A 303 -2.515 2.990 -5.161 1.00 0.00 H new ATOM 0 HA VAL A 303 0.300 2.984 -5.839 1.00 0.00 H new ATOM 0 HB VAL A 303 0.549 2.027 -3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 303 -0.715 3.706 -2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 303 -0.018 4.434 -3.762 1.00 0.00 H new ATOM 0 HG13 VAL A 303 -1.751 4.031 -3.705 1.00 0.00 H new ATOM 0 HG21 VAL A 303 -1.440 1.307 -2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 303 -2.477 1.625 -3.722 1.00 0.00 H new ATOM 0 HG23 VAL A 303 -1.255 0.332 -3.788 1.00 0.00 H new ATOM 248 N ILE A 304 -1.411 0.226 -6.231 1.00 0.00 N ATOM 249 CA ILE A 304 -1.275 -1.155 -6.781 1.00 0.00 C ATOM 250 C ILE A 304 -0.472 -1.076 -8.089 1.00 0.00 C ATOM 251 O ILE A 304 0.300 -1.959 -8.406 1.00 0.00 O ATOM 252 CB ILE A 304 -2.693 -1.760 -7.012 1.00 0.00 C ATOM 253 CG1 ILE A 304 -3.035 -2.759 -5.891 1.00 0.00 C ATOM 254 CG2 ILE A 304 -2.785 -2.495 -8.358 1.00 0.00 C ATOM 255 CD1 ILE A 304 -4.536 -3.092 -5.908 1.00 0.00 C ATOM 0 H ILE A 304 -2.366 0.538 -6.055 1.00 0.00 H new ATOM 0 HA ILE A 304 -0.747 -1.805 -6.084 1.00 0.00 H new ATOM 0 HB ILE A 304 -3.399 -0.929 -7.012 1.00 0.00 H new ATOM 0 HG12 ILE A 304 -2.452 -3.671 -6.018 1.00 0.00 H new ATOM 0 HG13 ILE A 304 -2.761 -2.338 -4.924 1.00 0.00 H new ATOM 0 HG21 ILE A 304 -3.788 -2.903 -8.482 1.00 0.00 H new ATOM 0 HG22 ILE A 304 -2.574 -1.798 -9.169 1.00 0.00 H new ATOM 0 HG23 ILE A 304 -2.058 -3.307 -8.380 1.00 0.00 H new ATOM 0 HD11 ILE A 304 -4.761 -3.799 -5.110 1.00 0.00 H new ATOM 0 HD12 ILE A 304 -5.113 -2.179 -5.758 1.00 0.00 H new ATOM 0 HD13 ILE A 304 -4.800 -3.534 -6.869 1.00 0.00 H new ATOM 267 N GLN A 305 -0.647 -0.028 -8.850 1.00 0.00 N ATOM 268 CA GLN A 305 0.111 0.090 -10.129 1.00 0.00 C ATOM 269 C GLN A 305 1.563 0.478 -9.823 1.00 0.00 C ATOM 270 O GLN A 305 2.478 0.105 -10.530 1.00 0.00 O ATOM 271 CB GLN A 305 -0.576 1.134 -11.048 1.00 0.00 C ATOM 272 CG GLN A 305 0.012 2.545 -10.851 1.00 0.00 C ATOM 273 CD GLN A 305 1.306 2.693 -11.659 1.00 0.00 C ATOM 274 OE1 GLN A 305 1.810 1.650 -12.258 1.00 0.00 O flip ATOM 275 NE2 GLN A 305 1.861 3.770 -11.745 1.00 0.00 N flip ATOM 0 H GLN A 305 -1.278 0.746 -8.643 1.00 0.00 H new ATOM 0 HA GLN A 305 0.116 -0.866 -10.653 1.00 0.00 H new ATOM 0 HB2 GLN A 305 -0.460 0.834 -12.089 1.00 0.00 H new ATOM 0 HB3 GLN A 305 -1.646 1.154 -10.840 1.00 0.00 H new ATOM 0 HG2 GLN A 305 -0.711 3.296 -11.167 1.00 0.00 H new ATOM 0 HG3 GLN A 305 0.212 2.720 -9.794 1.00 0.00 H new ATOM 0 HE21 GLN A 305 1.467 4.586 -11.276 1.00 0.00 H new ATOM 0 HE22 GLN A 305 2.721 3.859 -12.286 1.00 0.00 H new ATOM 284 N THR A 306 1.780 1.223 -8.771 1.00 0.00 N ATOM 285 CA THR A 306 3.172 1.631 -8.425 1.00 0.00 C ATOM 286 C THR A 306 3.926 0.446 -7.814 1.00 0.00 C ATOM 287 O THR A 306 4.953 0.039 -8.308 1.00 0.00 O ATOM 288 CB THR A 306 3.139 2.787 -7.420 1.00 0.00 C ATOM 289 OG1 THR A 306 2.644 3.953 -8.063 1.00 0.00 O ATOM 290 CG2 THR A 306 4.551 3.056 -6.890 1.00 0.00 C ATOM 0 H THR A 306 1.056 1.565 -8.139 1.00 0.00 H new ATOM 0 HA THR A 306 3.682 1.954 -9.332 1.00 0.00 H new ATOM 0 HB THR A 306 2.489 2.523 -6.586 1.00 0.00 H new ATOM 0 HG1 THR A 306 2.620 4.694 -7.423 1.00 0.00 H new ATOM 0 HG21 THR A 306 4.521 3.879 -6.176 1.00 0.00 H new ATOM 0 HG22 THR A 306 4.931 2.161 -6.397 1.00 0.00 H new ATOM 0 HG23 THR A 306 5.207 3.319 -7.720 1.00 0.00 H new ATOM 298 N LEU A 307 3.431 -0.107 -6.737 1.00 0.00 N ATOM 299 CA LEU A 307 4.138 -1.261 -6.096 1.00 0.00 C ATOM 300 C LEU A 307 4.545 -2.267 -7.181 1.00 0.00 C ATOM 301 O LEU A 307 5.686 -2.673 -7.272 1.00 0.00 O ATOM 302 CB LEU A 307 3.189 -1.961 -5.098 1.00 0.00 C ATOM 303 CG LEU A 307 3.163 -1.282 -3.708 1.00 0.00 C ATOM 304 CD1 LEU A 307 4.578 -1.117 -3.123 1.00 0.00 C ATOM 305 CD2 LEU A 307 2.475 0.084 -3.806 1.00 0.00 C ATOM 0 H LEU A 307 2.571 0.188 -6.274 1.00 0.00 H new ATOM 0 HA LEU A 307 5.021 -0.898 -5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 307 2.180 -1.970 -5.510 1.00 0.00 H new ATOM 0 HB3 LEU A 307 3.495 -3.001 -4.982 1.00 0.00 H new ATOM 0 HG LEU A 307 2.600 -1.929 -3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 307 4.514 -0.636 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 307 5.044 -2.097 -3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 307 5.179 -0.501 -3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 307 2.461 0.556 -2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 307 3.022 0.717 -4.505 1.00 0.00 H new ATOM 0 HD23 LEU A 307 1.453 -0.048 -4.160 1.00 0.00 H new ATOM 317 N ARG A 308 3.612 -2.674 -7.993 1.00 0.00 N ATOM 318 CA ARG A 308 3.924 -3.659 -9.066 1.00 0.00 C ATOM 319 C ARG A 308 4.964 -3.082 -10.033 1.00 0.00 C ATOM 320 O ARG A 308 5.434 -3.764 -10.922 1.00 0.00 O ATOM 321 CB ARG A 308 2.639 -3.991 -9.833 1.00 0.00 C ATOM 322 CG ARG A 308 2.836 -5.282 -10.634 1.00 0.00 C ATOM 323 CD ARG A 308 1.520 -5.678 -11.308 1.00 0.00 C ATOM 324 NE ARG A 308 1.598 -7.105 -11.729 1.00 0.00 N ATOM 325 CZ ARG A 308 0.518 -7.741 -12.091 1.00 0.00 C ATOM 326 NH1 ARG A 308 -0.628 -7.116 -12.117 1.00 0.00 N ATOM 327 NH2 ARG A 308 0.586 -9.000 -12.431 1.00 0.00 N ATOM 0 H ARG A 308 2.640 -2.365 -7.960 1.00 0.00 H new ATOM 0 HA ARG A 308 4.331 -4.563 -8.613 1.00 0.00 H new ATOM 0 HB2 ARG A 308 1.808 -4.106 -9.137 1.00 0.00 H new ATOM 0 HB3 ARG A 308 2.382 -3.171 -10.504 1.00 0.00 H new ATOM 0 HG2 ARG A 308 3.612 -5.140 -11.386 1.00 0.00 H new ATOM 0 HG3 ARG A 308 3.173 -6.082 -9.975 1.00 0.00 H new ATOM 0 HD2 ARG A 308 0.687 -5.534 -10.620 1.00 0.00 H new ATOM 0 HD3 ARG A 308 1.333 -5.041 -12.172 1.00 0.00 H new ATOM 0 HE ARG A 308 2.498 -7.586 -11.734 1.00 0.00 H new ATOM 0 HH11 ARG A 308 -0.678 -6.132 -11.854 1.00 0.00 H new ATOM 0 HH12 ARG A 308 -1.473 -7.612 -12.400 1.00 0.00 H new ATOM 0 HH21 ARG A 308 1.483 -9.485 -12.413 1.00 0.00 H new ATOM 0 HH22 ARG A 308 -0.258 -9.498 -12.714 1.00 0.00 H new ATOM 341 N GLU A 309 5.324 -1.835 -9.888 1.00 0.00 N ATOM 342 CA GLU A 309 6.320 -1.251 -10.833 1.00 0.00 C ATOM 343 C GLU A 309 7.735 -1.714 -10.458 1.00 0.00 C ATOM 344 O GLU A 309 8.639 -1.662 -11.267 1.00 0.00 O ATOM 345 CB GLU A 309 6.220 0.295 -10.801 1.00 0.00 C ATOM 346 CG GLU A 309 7.154 0.900 -9.728 1.00 0.00 C ATOM 347 CD GLU A 309 8.572 1.063 -10.289 1.00 0.00 C ATOM 348 OE1 GLU A 309 8.790 0.686 -11.428 1.00 0.00 O ATOM 349 OE2 GLU A 309 9.418 1.565 -9.567 1.00 0.00 O ATOM 0 H GLU A 309 4.977 -1.203 -9.167 1.00 0.00 H new ATOM 0 HA GLU A 309 6.106 -1.594 -11.845 1.00 0.00 H new ATOM 0 HB2 GLU A 309 6.479 0.698 -11.780 1.00 0.00 H new ATOM 0 HB3 GLU A 309 5.191 0.590 -10.597 1.00 0.00 H new ATOM 0 HG2 GLU A 309 6.770 1.868 -9.405 1.00 0.00 H new ATOM 0 HG3 GLU A 309 7.175 0.256 -8.849 1.00 0.00 H new ATOM 356 N HIS A 310 7.933 -2.173 -9.240 1.00 0.00 N ATOM 357 CA HIS A 310 9.295 -2.643 -8.820 1.00 0.00 C ATOM 358 C HIS A 310 9.194 -4.015 -8.132 1.00 0.00 C ATOM 359 O HIS A 310 8.327 -4.809 -8.435 1.00 0.00 O ATOM 360 CB HIS A 310 9.937 -1.585 -7.897 1.00 0.00 C ATOM 361 CG HIS A 310 9.554 -1.792 -6.455 1.00 0.00 C ATOM 362 ND1 HIS A 310 10.412 -2.404 -5.555 1.00 0.00 N ATOM 363 CD2 HIS A 310 8.439 -1.440 -5.732 1.00 0.00 C ATOM 364 CE1 HIS A 310 9.812 -2.398 -4.353 1.00 0.00 C ATOM 365 NE2 HIS A 310 8.604 -1.825 -4.404 1.00 0.00 N ATOM 0 H HIS A 310 7.212 -2.242 -8.522 1.00 0.00 H new ATOM 0 HA HIS A 310 9.933 -2.765 -9.696 1.00 0.00 H new ATOM 0 HB2 HIS A 310 11.022 -1.628 -7.994 1.00 0.00 H new ATOM 0 HB3 HIS A 310 9.628 -0.590 -8.216 1.00 0.00 H new ATOM 0 HD2 HIS A 310 7.569 -0.941 -6.132 1.00 0.00 H new ATOM 0 HE1 HIS A 310 10.251 -2.806 -3.455 1.00 0.00 H new ATOM 0 HE2 HIS A 310 7.946 -1.698 -3.635 1.00 0.00 H new ATOM 373 N LYS A 311 10.092 -4.307 -7.227 1.00 0.00 N ATOM 374 CA LYS A 311 10.070 -5.637 -6.544 1.00 0.00 C ATOM 375 C LYS A 311 9.085 -5.640 -5.373 1.00 0.00 C ATOM 376 O LYS A 311 9.474 -5.749 -4.228 1.00 0.00 O ATOM 377 CB LYS A 311 11.470 -5.964 -6.024 1.00 0.00 C ATOM 378 CG LYS A 311 12.464 -5.944 -7.187 1.00 0.00 C ATOM 379 CD LYS A 311 13.894 -6.077 -6.649 1.00 0.00 C ATOM 380 CE LYS A 311 14.030 -7.366 -5.830 1.00 0.00 C ATOM 381 NZ LYS A 311 13.240 -8.455 -6.472 1.00 0.00 N ATOM 0 H LYS A 311 10.841 -3.681 -6.930 1.00 0.00 H new ATOM 0 HA LYS A 311 9.750 -6.388 -7.267 1.00 0.00 H new ATOM 0 HB2 LYS A 311 11.766 -5.239 -5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 311 11.472 -6.944 -5.546 1.00 0.00 H new ATOM 0 HG2 LYS A 311 12.248 -6.760 -7.877 1.00 0.00 H new ATOM 0 HG3 LYS A 311 12.362 -5.016 -7.749 1.00 0.00 H new ATOM 0 HD2 LYS A 311 14.603 -6.086 -7.477 1.00 0.00 H new ATOM 0 HD3 LYS A 311 14.139 -5.215 -6.029 1.00 0.00 H new ATOM 0 HE2 LYS A 311 15.079 -7.656 -5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 311 13.678 -7.200 -4.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 13.650 -9.377 -6.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 12.255 -8.411 -6.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 13.263 -8.338 -7.505 1.00 0.00 H new ATOM 395 N CYS A 312 7.816 -5.551 -5.651 1.00 0.00 N ATOM 396 CA CYS A 312 6.811 -5.581 -4.551 1.00 0.00 C ATOM 397 C CYS A 312 5.444 -5.935 -5.131 1.00 0.00 C ATOM 398 O CYS A 312 4.757 -5.101 -5.680 1.00 0.00 O ATOM 399 CB CYS A 312 6.731 -4.219 -3.861 1.00 0.00 C ATOM 400 SG CYS A 312 8.070 -4.071 -2.656 1.00 0.00 S ATOM 0 H CYS A 312 7.430 -5.459 -6.591 1.00 0.00 H new ATOM 0 HA CYS A 312 7.112 -6.329 -3.817 1.00 0.00 H new ATOM 0 HB2 CYS A 312 6.803 -3.421 -4.600 1.00 0.00 H new ATOM 0 HB3 CYS A 312 5.767 -4.108 -3.364 1.00 0.00 H new ATOM 0 HG CYS A 312 8.032 -5.081 -1.839 1.00 0.00 H new ATOM 406 N GLN A 313 5.051 -7.166 -5.004 1.00 0.00 N ATOM 407 CA GLN A 313 3.727 -7.596 -5.538 1.00 0.00 C ATOM 408 C GLN A 313 2.609 -7.093 -4.600 1.00 0.00 C ATOM 409 O GLN A 313 2.538 -7.522 -3.468 1.00 0.00 O ATOM 410 CB GLN A 313 3.683 -9.125 -5.586 1.00 0.00 C ATOM 411 CG GLN A 313 4.825 -9.644 -6.462 1.00 0.00 C ATOM 412 CD GLN A 313 4.512 -9.357 -7.930 1.00 0.00 C ATOM 413 OE1 GLN A 313 3.398 -9.010 -8.269 1.00 0.00 O ATOM 414 NE2 GLN A 313 5.454 -9.485 -8.824 1.00 0.00 N ATOM 0 H GLN A 313 5.592 -7.902 -4.550 1.00 0.00 H new ATOM 0 HA GLN A 313 3.583 -7.185 -6.537 1.00 0.00 H new ATOM 0 HB2 GLN A 313 3.769 -9.533 -4.579 1.00 0.00 H new ATOM 0 HB3 GLN A 313 2.725 -9.459 -5.984 1.00 0.00 H new ATOM 0 HG2 GLN A 313 5.762 -9.165 -6.178 1.00 0.00 H new ATOM 0 HG3 GLN A 313 4.956 -10.715 -6.310 1.00 0.00 H new ATOM 0 HE21 GLN A 313 6.390 -9.776 -8.541 1.00 0.00 H new ATOM 0 HE22 GLN A 313 5.255 -9.294 -9.806 1.00 0.00 H new ATOM 423 N PRO A 314 1.741 -6.197 -5.042 1.00 0.00 N ATOM 424 CA PRO A 314 0.638 -5.672 -4.182 1.00 0.00 C ATOM 425 C PRO A 314 -0.618 -6.552 -4.226 1.00 0.00 C ATOM 426 O PRO A 314 -0.940 -7.143 -5.238 1.00 0.00 O ATOM 427 CB PRO A 314 0.352 -4.308 -4.799 1.00 0.00 C ATOM 428 CG PRO A 314 0.591 -4.507 -6.264 1.00 0.00 C ATOM 429 CD PRO A 314 1.695 -5.575 -6.385 1.00 0.00 C ATOM 0 HA PRO A 314 0.918 -5.641 -3.129 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -0.672 -3.989 -4.603 1.00 0.00 H new ATOM 0 HB3 PRO A 314 1.009 -3.541 -4.389 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -0.321 -4.833 -6.765 1.00 0.00 H new ATOM 0 HG3 PRO A 314 0.899 -3.575 -6.737 1.00 0.00 H new ATOM 0 HD2 PRO A 314 1.458 -6.308 -7.156 1.00 0.00 H new ATOM 0 HD3 PRO A 314 2.654 -5.130 -6.652 1.00 0.00 H new ATOM 437 N ARG A 315 -1.334 -6.634 -3.132 1.00 0.00 N ATOM 438 CA ARG A 315 -2.578 -7.466 -3.094 1.00 0.00 C ATOM 439 C ARG A 315 -3.614 -6.758 -2.201 1.00 0.00 C ATOM 440 O ARG A 315 -3.358 -6.484 -1.046 1.00 0.00 O ATOM 441 CB ARG A 315 -2.267 -8.878 -2.520 1.00 0.00 C ATOM 442 CG ARG A 315 -0.753 -9.173 -2.565 1.00 0.00 C ATOM 443 CD ARG A 315 0.022 -8.267 -1.570 1.00 0.00 C ATOM 444 NE ARG A 315 0.926 -9.095 -0.697 1.00 0.00 N ATOM 445 CZ ARG A 315 0.476 -10.105 0.004 1.00 0.00 C ATOM 446 NH1 ARG A 315 -0.801 -10.371 0.037 1.00 0.00 N ATOM 447 NH2 ARG A 315 1.308 -10.834 0.696 1.00 0.00 N ATOM 0 H ARG A 315 -1.109 -6.158 -2.258 1.00 0.00 H new ATOM 0 HA ARG A 315 -2.970 -7.584 -4.104 1.00 0.00 H new ATOM 0 HB2 ARG A 315 -2.623 -8.943 -1.492 1.00 0.00 H new ATOM 0 HB3 ARG A 315 -2.805 -9.634 -3.092 1.00 0.00 H new ATOM 0 HG2 ARG A 315 -0.576 -10.221 -2.322 1.00 0.00 H new ATOM 0 HG3 ARG A 315 -0.378 -9.013 -3.576 1.00 0.00 H new ATOM 0 HD2 ARG A 315 0.611 -7.533 -2.120 1.00 0.00 H new ATOM 0 HD3 ARG A 315 -0.682 -7.711 -0.951 1.00 0.00 H new ATOM 0 HE ARG A 315 1.918 -8.863 -0.650 1.00 0.00 H new ATOM 0 HH11 ARG A 315 -1.457 -9.790 -0.486 1.00 0.00 H new ATOM 0 HH12 ARG A 315 -1.144 -11.160 0.586 1.00 0.00 H new ATOM 0 HH21 ARG A 315 2.304 -10.616 0.689 1.00 0.00 H new ATOM 0 HH22 ARG A 315 0.962 -11.622 1.244 1.00 0.00 H new ATOM 461 N LEU A 316 -4.784 -6.468 -2.719 1.00 0.00 N ATOM 462 CA LEU A 316 -5.822 -5.793 -1.895 1.00 0.00 C ATOM 463 C LEU A 316 -6.669 -6.860 -1.213 1.00 0.00 C ATOM 464 O LEU A 316 -7.300 -7.678 -1.852 1.00 0.00 O ATOM 465 CB LEU A 316 -6.706 -4.926 -2.797 1.00 0.00 C ATOM 466 CG LEU A 316 -7.317 -3.776 -1.990 1.00 0.00 C ATOM 467 CD1 LEU A 316 -8.163 -2.903 -2.919 1.00 0.00 C ATOM 468 CD2 LEU A 316 -8.200 -4.336 -0.871 1.00 0.00 C ATOM 0 H LEU A 316 -5.060 -6.672 -3.679 1.00 0.00 H new ATOM 0 HA LEU A 316 -5.352 -5.158 -1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 316 -6.116 -4.528 -3.622 1.00 0.00 H new ATOM 0 HB3 LEU A 316 -7.498 -5.534 -3.235 1.00 0.00 H new ATOM 0 HG LEU A 316 -6.518 -3.179 -1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 316 -8.600 -2.083 -2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 316 -7.534 -2.499 -3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 316 -8.959 -3.504 -3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 316 -8.631 -3.513 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 316 -9.000 -4.936 -1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 316 -7.598 -4.959 -0.210 1.00 0.00 H new ATOM 480 N LEU A 317 -6.673 -6.848 0.081 1.00 0.00 N ATOM 481 CA LEU A 317 -7.462 -7.848 0.863 1.00 0.00 C ATOM 482 C LEU A 317 -8.653 -7.126 1.476 1.00 0.00 C ATOM 483 O LEU A 317 -9.100 -6.161 0.908 1.00 0.00 O ATOM 484 CB LEU A 317 -6.562 -8.438 1.952 1.00 0.00 C ATOM 485 CG LEU A 317 -5.199 -8.774 1.336 1.00 0.00 C ATOM 486 CD1 LEU A 317 -4.299 -9.423 2.383 1.00 0.00 C ATOM 487 CD2 LEU A 317 -5.394 -9.741 0.165 1.00 0.00 C ATOM 0 H LEU A 317 -6.155 -6.177 0.649 1.00 0.00 H new ATOM 0 HA LEU A 317 -7.819 -8.660 0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 317 -6.442 -7.727 2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 317 -7.017 -9.334 2.374 1.00 0.00 H new ATOM 0 HG LEU A 317 -4.731 -7.855 0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 317 -3.333 -9.658 1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 317 -4.156 -8.735 3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 317 -4.764 -10.340 2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 317 -4.426 -9.981 -0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 317 -5.866 -10.656 0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 317 -6.029 -9.276 -0.589 1.00 0.00 H new ATOM 499 N TYR A 318 -9.144 -7.597 2.617 1.00 0.00 N ATOM 500 CA TYR A 318 -10.326 -6.971 3.342 1.00 0.00 C ATOM 501 C TYR A 318 -10.825 -5.689 2.631 1.00 0.00 C ATOM 502 O TYR A 318 -10.026 -4.940 2.133 1.00 0.00 O ATOM 503 CB TYR A 318 -9.864 -6.618 4.772 1.00 0.00 C ATOM 504 CG TYR A 318 -11.000 -6.751 5.762 1.00 0.00 C ATOM 505 CD1 TYR A 318 -11.371 -8.013 6.237 1.00 0.00 C ATOM 506 CD2 TYR A 318 -11.678 -5.608 6.203 1.00 0.00 C ATOM 507 CE1 TYR A 318 -12.422 -8.134 7.155 1.00 0.00 C ATOM 508 CE2 TYR A 318 -12.729 -5.727 7.120 1.00 0.00 C ATOM 509 CZ TYR A 318 -13.101 -6.990 7.597 1.00 0.00 C ATOM 510 OH TYR A 318 -14.135 -7.111 8.503 1.00 0.00 O ATOM 0 H TYR A 318 -8.762 -8.416 3.091 1.00 0.00 H new ATOM 0 HA TYR A 318 -11.154 -7.680 3.352 1.00 0.00 H new ATOM 0 HB2 TYR A 318 -9.044 -7.274 5.065 1.00 0.00 H new ATOM 0 HB3 TYR A 318 -9.479 -5.599 4.791 1.00 0.00 H new ATOM 0 HD1 TYR A 318 -10.847 -8.894 5.896 1.00 0.00 H new ATOM 0 HD2 TYR A 318 -11.390 -4.634 5.836 1.00 0.00 H new ATOM 0 HE1 TYR A 318 -12.709 -9.108 7.522 1.00 0.00 H new ATOM 0 HE2 TYR A 318 -13.253 -4.845 7.459 1.00 0.00 H new ATOM 0 HH TYR A 318 -14.498 -6.223 8.706 1.00 0.00 H new ATOM 520 N PRO A 319 -12.125 -5.432 2.587 1.00 0.00 N ATOM 521 CA PRO A 319 -12.703 -4.232 1.917 1.00 0.00 C ATOM 522 C PRO A 319 -11.734 -3.050 1.775 1.00 0.00 C ATOM 523 O PRO A 319 -11.879 -2.228 0.891 1.00 0.00 O ATOM 524 CB PRO A 319 -13.872 -3.898 2.830 1.00 0.00 C ATOM 525 CG PRO A 319 -14.406 -5.243 3.237 1.00 0.00 C ATOM 526 CD PRO A 319 -13.216 -6.233 3.173 1.00 0.00 C ATOM 0 HA PRO A 319 -12.974 -4.432 0.880 1.00 0.00 H new ATOM 0 HB2 PRO A 319 -13.551 -3.317 3.695 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -14.628 -3.308 2.312 1.00 0.00 H new ATOM 0 HG2 PRO A 319 -14.824 -5.205 4.243 1.00 0.00 H new ATOM 0 HG3 PRO A 319 -15.208 -5.559 2.570 1.00 0.00 H new ATOM 0 HD2 PRO A 319 -12.952 -6.606 4.163 1.00 0.00 H new ATOM 0 HD3 PRO A 319 -13.450 -7.101 2.557 1.00 0.00 H new ATOM 534 N ALA A 320 -10.731 -2.972 2.602 1.00 0.00 N ATOM 535 CA ALA A 320 -9.749 -1.866 2.464 1.00 0.00 C ATOM 536 C ALA A 320 -8.441 -2.213 3.191 1.00 0.00 C ATOM 537 O ALA A 320 -7.970 -1.445 4.008 1.00 0.00 O ATOM 538 CB ALA A 320 -10.343 -0.579 3.043 1.00 0.00 C ATOM 0 H ALA A 320 -10.550 -3.624 3.365 1.00 0.00 H new ATOM 0 HA ALA A 320 -9.528 -1.721 1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -9.622 0.232 2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -11.255 -0.324 2.503 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -10.576 -0.728 4.097 1.00 0.00 H new ATOM 544 N LYS A 321 -7.828 -3.347 2.887 1.00 0.00 N ATOM 545 CA LYS A 321 -6.526 -3.704 3.555 1.00 0.00 C ATOM 546 C LYS A 321 -5.490 -3.968 2.461 1.00 0.00 C ATOM 547 O LYS A 321 -5.712 -4.759 1.565 1.00 0.00 O ATOM 548 CB LYS A 321 -6.707 -4.942 4.438 1.00 0.00 C ATOM 549 CG LYS A 321 -5.360 -5.316 5.073 1.00 0.00 C ATOM 550 CD LYS A 321 -5.567 -6.215 6.305 1.00 0.00 C ATOM 551 CE LYS A 321 -5.817 -7.659 5.864 1.00 0.00 C ATOM 552 NZ LYS A 321 -5.950 -8.526 7.069 1.00 0.00 N ATOM 0 H LYS A 321 -8.171 -4.031 2.213 1.00 0.00 H new ATOM 0 HA LYS A 321 -6.191 -2.887 4.194 1.00 0.00 H new ATOM 0 HB2 LYS A 321 -7.445 -4.743 5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 321 -7.085 -5.774 3.844 1.00 0.00 H new ATOM 0 HG2 LYS A 321 -4.739 -5.832 4.341 1.00 0.00 H new ATOM 0 HG3 LYS A 321 -4.826 -4.411 5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 321 -4.689 -6.170 6.950 1.00 0.00 H new ATOM 0 HD3 LYS A 321 -6.412 -5.854 6.891 1.00 0.00 H new ATOM 0 HE2 LYS A 321 -6.722 -7.715 5.260 1.00 0.00 H new ATOM 0 HE3 LYS A 321 -4.995 -8.008 5.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 -6.120 -9.508 6.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 -5.074 -8.480 7.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 -6.748 -8.196 7.648 1.00 0.00 H new ATOM 566 N LEU A 322 -4.378 -3.266 2.499 1.00 0.00 N ATOM 567 CA LEU A 322 -3.336 -3.416 1.427 1.00 0.00 C ATOM 568 C LEU A 322 -2.060 -4.060 1.977 1.00 0.00 C ATOM 569 O LEU A 322 -1.446 -3.569 2.905 1.00 0.00 O ATOM 570 CB LEU A 322 -3.041 -2.003 0.897 1.00 0.00 C ATOM 571 CG LEU A 322 -2.289 -2.012 -0.451 1.00 0.00 C ATOM 572 CD1 LEU A 322 -0.875 -2.569 -0.267 1.00 0.00 C ATOM 573 CD2 LEU A 322 -3.053 -2.838 -1.507 1.00 0.00 C ATOM 0 H LEU A 322 -4.147 -2.593 3.230 1.00 0.00 H new ATOM 0 HA LEU A 322 -3.698 -4.069 0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 322 -3.979 -1.461 0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 322 -2.449 -1.460 1.634 1.00 0.00 H new ATOM 0 HG LEU A 322 -2.222 -0.984 -0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 322 -0.356 -2.569 -1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 322 -0.328 -1.946 0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 322 -0.932 -3.588 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 322 -2.501 -2.827 -2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 322 -3.157 -3.866 -1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 322 -4.041 -2.405 -1.662 1.00 0.00 H new ATOM 585 N SER A 323 -1.655 -5.162 1.385 1.00 0.00 N ATOM 586 CA SER A 323 -0.413 -5.871 1.825 1.00 0.00 C ATOM 587 C SER A 323 0.672 -5.706 0.758 1.00 0.00 C ATOM 588 O SER A 323 0.389 -5.595 -0.418 1.00 0.00 O ATOM 589 CB SER A 323 -0.719 -7.358 2.018 1.00 0.00 C ATOM 590 OG SER A 323 0.492 -8.098 1.963 1.00 0.00 O ATOM 0 H SER A 323 -2.141 -5.604 0.605 1.00 0.00 H new ATOM 0 HA SER A 323 -0.064 -5.447 2.766 1.00 0.00 H new ATOM 0 HB2 SER A 323 -1.213 -7.518 2.976 1.00 0.00 H new ATOM 0 HB3 SER A 323 -1.405 -7.703 1.244 1.00 0.00 H new ATOM 0 HG SER A 323 0.413 -8.896 2.526 1.00 0.00 H new ATOM 596 N ILE A 324 1.915 -5.680 1.165 1.00 0.00 N ATOM 597 CA ILE A 324 3.036 -5.508 0.192 1.00 0.00 C ATOM 598 C ILE A 324 4.197 -6.432 0.565 1.00 0.00 C ATOM 599 O ILE A 324 4.418 -6.741 1.719 1.00 0.00 O ATOM 600 CB ILE A 324 3.526 -4.048 0.212 1.00 0.00 C ATOM 601 CG1 ILE A 324 3.731 -3.543 1.672 1.00 0.00 C ATOM 602 CG2 ILE A 324 2.499 -3.160 -0.500 1.00 0.00 C ATOM 603 CD1 ILE A 324 5.203 -3.676 2.085 1.00 0.00 C ATOM 0 H ILE A 324 2.204 -5.771 2.139 1.00 0.00 H new ATOM 0 HA ILE A 324 2.677 -5.760 -0.806 1.00 0.00 H new ATOM 0 HB ILE A 324 4.486 -3.998 -0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 324 3.418 -2.502 1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 324 3.103 -4.117 2.353 1.00 0.00 H new ATOM 0 HG21 ILE A 324 2.842 -2.125 -0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 324 2.384 -3.492 -1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 324 1.540 -3.230 0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 324 5.328 -3.319 3.107 1.00 0.00 H new ATOM 0 HD12 ILE A 324 5.504 -4.722 2.027 1.00 0.00 H new ATOM 0 HD13 ILE A 324 5.824 -3.082 1.415 1.00 0.00 H new ATOM 615 N THR A 325 4.934 -6.878 -0.419 1.00 0.00 N ATOM 616 CA THR A 325 6.089 -7.790 -0.163 1.00 0.00 C ATOM 617 C THR A 325 7.402 -6.995 -0.203 1.00 0.00 C ATOM 618 O THR A 325 7.640 -6.226 -1.111 1.00 0.00 O ATOM 619 CB THR A 325 6.113 -8.867 -1.255 1.00 0.00 C ATOM 620 OG1 THR A 325 4.965 -9.695 -1.123 1.00 0.00 O ATOM 621 CG2 THR A 325 7.376 -9.717 -1.116 1.00 0.00 C ATOM 0 H THR A 325 4.783 -6.646 -1.401 1.00 0.00 H new ATOM 0 HA THR A 325 5.984 -8.250 0.819 1.00 0.00 H new ATOM 0 HB THR A 325 6.110 -8.390 -2.235 1.00 0.00 H new ATOM 0 HG1 THR A 325 4.976 -10.383 -1.820 1.00 0.00 H new ATOM 0 HG21 THR A 325 7.388 -10.480 -1.894 1.00 0.00 H new ATOM 0 HG22 THR A 325 8.255 -9.081 -1.218 1.00 0.00 H new ATOM 0 HG23 THR A 325 7.386 -10.196 -0.137 1.00 0.00 H new ATOM 629 N ILE A 326 8.263 -7.185 0.769 1.00 0.00 N ATOM 630 CA ILE A 326 9.572 -6.456 0.788 1.00 0.00 C ATOM 631 C ILE A 326 10.679 -7.435 1.199 1.00 0.00 C ATOM 632 O ILE A 326 10.761 -7.845 2.340 1.00 0.00 O ATOM 633 CB ILE A 326 9.508 -5.301 1.799 1.00 0.00 C ATOM 634 CG1 ILE A 326 8.633 -4.175 1.236 1.00 0.00 C ATOM 635 CG2 ILE A 326 10.921 -4.762 2.063 1.00 0.00 C ATOM 636 CD1 ILE A 326 8.359 -3.145 2.335 1.00 0.00 C ATOM 0 H ILE A 326 8.114 -7.818 1.555 1.00 0.00 H new ATOM 0 HA ILE A 326 9.782 -6.052 -0.202 1.00 0.00 H new ATOM 0 HB ILE A 326 9.080 -5.666 2.733 1.00 0.00 H new ATOM 0 HG12 ILE A 326 9.133 -3.699 0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 326 7.694 -4.582 0.862 1.00 0.00 H new ATOM 0 HG21 ILE A 326 10.870 -3.943 2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 326 11.545 -5.559 2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 326 11.353 -4.400 1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 326 7.737 -2.344 1.936 1.00 0.00 H new ATOM 0 HD12 ILE A 326 7.842 -3.627 3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 326 9.303 -2.730 2.688 1.00 0.00 H new ATOM 648 N ASP A 327 11.527 -7.802 0.271 1.00 0.00 N ATOM 649 CA ASP A 327 12.643 -8.753 0.574 1.00 0.00 C ATOM 650 C ASP A 327 12.169 -9.850 1.529 1.00 0.00 C ATOM 651 O ASP A 327 12.935 -10.380 2.310 1.00 0.00 O ATOM 652 CB ASP A 327 13.822 -7.993 1.197 1.00 0.00 C ATOM 653 CG ASP A 327 13.427 -7.427 2.563 1.00 0.00 C ATOM 654 OD1 ASP A 327 12.925 -8.183 3.379 1.00 0.00 O ATOM 655 OD2 ASP A 327 13.646 -6.246 2.775 1.00 0.00 O ATOM 0 H ASP A 327 11.494 -7.479 -0.696 1.00 0.00 H new ATOM 0 HA ASP A 327 12.966 -9.218 -0.357 1.00 0.00 H new ATOM 0 HB2 ASP A 327 14.677 -8.660 1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 327 14.132 -7.183 0.536 1.00 0.00 H new ATOM 660 N GLY A 328 10.908 -10.199 1.466 1.00 0.00 N ATOM 661 CA GLY A 328 10.365 -11.270 2.361 1.00 0.00 C ATOM 662 C GLY A 328 9.533 -10.644 3.485 1.00 0.00 C ATOM 663 O GLY A 328 8.423 -11.062 3.749 1.00 0.00 O ATOM 0 H GLY A 328 10.226 -9.786 0.829 1.00 0.00 H new ATOM 0 HA2 GLY A 328 9.750 -11.960 1.784 1.00 0.00 H new ATOM 0 HA3 GLY A 328 11.184 -11.851 2.785 1.00 0.00 H new ATOM 667 N GLU A 329 10.057 -9.653 4.157 1.00 0.00 N ATOM 668 CA GLU A 329 9.284 -9.024 5.267 1.00 0.00 C ATOM 669 C GLU A 329 7.951 -8.499 4.719 1.00 0.00 C ATOM 670 O GLU A 329 7.903 -7.537 3.978 1.00 0.00 O ATOM 671 CB GLU A 329 10.107 -7.868 5.886 1.00 0.00 C ATOM 672 CG GLU A 329 10.312 -8.093 7.392 1.00 0.00 C ATOM 673 CD GLU A 329 11.165 -6.961 7.968 1.00 0.00 C ATOM 674 OE1 GLU A 329 11.969 -6.417 7.229 1.00 0.00 O ATOM 675 OE2 GLU A 329 10.998 -6.658 9.137 1.00 0.00 O ATOM 0 H GLU A 329 10.980 -9.254 3.987 1.00 0.00 H new ATOM 0 HA GLU A 329 9.084 -9.762 6.043 1.00 0.00 H new ATOM 0 HB2 GLU A 329 11.074 -7.797 5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 329 9.594 -6.921 5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 329 9.348 -8.130 7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 329 10.799 -9.053 7.564 1.00 0.00 H new ATOM 682 N THR A 330 6.874 -9.127 5.089 1.00 0.00 N ATOM 683 CA THR A 330 5.531 -8.682 4.609 1.00 0.00 C ATOM 684 C THR A 330 4.961 -7.640 5.574 1.00 0.00 C ATOM 685 O THR A 330 5.059 -7.779 6.777 1.00 0.00 O ATOM 686 CB THR A 330 4.588 -9.886 4.544 1.00 0.00 C ATOM 687 OG1 THR A 330 3.328 -9.472 4.035 1.00 0.00 O ATOM 688 CG2 THR A 330 4.404 -10.472 5.944 1.00 0.00 C ATOM 0 H THR A 330 6.862 -9.937 5.709 1.00 0.00 H new ATOM 0 HA THR A 330 5.629 -8.242 3.617 1.00 0.00 H new ATOM 0 HB THR A 330 5.015 -10.645 3.889 1.00 0.00 H new ATOM 0 HG1 THR A 330 2.724 -10.242 3.991 1.00 0.00 H new ATOM 0 HG21 THR A 330 3.732 -11.329 5.894 1.00 0.00 H new ATOM 0 HG22 THR A 330 5.370 -10.791 6.335 1.00 0.00 H new ATOM 0 HG23 THR A 330 3.978 -9.715 6.602 1.00 0.00 H new ATOM 696 N LYS A 331 4.352 -6.602 5.056 1.00 0.00 N ATOM 697 CA LYS A 331 3.753 -5.548 5.933 1.00 0.00 C ATOM 698 C LYS A 331 2.365 -5.218 5.386 1.00 0.00 C ATOM 699 O LYS A 331 2.085 -5.429 4.223 1.00 0.00 O ATOM 700 CB LYS A 331 4.661 -4.291 5.918 1.00 0.00 C ATOM 701 CG LYS A 331 5.219 -4.004 7.322 1.00 0.00 C ATOM 702 CD LYS A 331 4.132 -3.370 8.194 1.00 0.00 C ATOM 703 CE LYS A 331 4.583 -3.382 9.657 1.00 0.00 C ATOM 704 NZ LYS A 331 5.968 -2.838 9.755 1.00 0.00 N ATOM 0 H LYS A 331 4.243 -6.438 4.055 1.00 0.00 H new ATOM 0 HA LYS A 331 3.669 -5.896 6.963 1.00 0.00 H new ATOM 0 HB2 LYS A 331 5.483 -4.439 5.218 1.00 0.00 H new ATOM 0 HB3 LYS A 331 4.093 -3.431 5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 331 5.571 -4.929 7.779 1.00 0.00 H new ATOM 0 HG3 LYS A 331 6.077 -3.336 7.252 1.00 0.00 H new ATOM 0 HD2 LYS A 331 3.940 -2.347 7.869 1.00 0.00 H new ATOM 0 HD3 LYS A 331 3.197 -3.919 8.086 1.00 0.00 H new ATOM 0 HE2 LYS A 331 3.902 -2.784 10.263 1.00 0.00 H new ATOM 0 HE3 LYS A 331 4.551 -4.398 10.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 6.175 -2.592 10.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 6.647 -3.555 9.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 6.050 -1.987 9.162 1.00 0.00 H new ATOM 718 N VAL A 332 1.489 -4.714 6.212 1.00 0.00 N ATOM 719 CA VAL A 332 0.113 -4.388 5.731 1.00 0.00 C ATOM 720 C VAL A 332 -0.404 -3.124 6.414 1.00 0.00 C ATOM 721 O VAL A 332 0.017 -2.767 7.497 1.00 0.00 O ATOM 722 CB VAL A 332 -0.812 -5.563 6.043 1.00 0.00 C ATOM 723 CG1 VAL A 332 -2.087 -5.450 5.214 1.00 0.00 C ATOM 724 CG2 VAL A 332 -0.106 -6.869 5.685 1.00 0.00 C ATOM 0 H VAL A 332 1.664 -4.514 7.197 1.00 0.00 H new ATOM 0 HA VAL A 332 0.138 -4.212 4.656 1.00 0.00 H new ATOM 0 HB VAL A 332 -1.062 -5.550 7.104 1.00 0.00 H new ATOM 0 HG11 VAL A 332 -2.744 -6.290 5.440 1.00 0.00 H new ATOM 0 HG12 VAL A 332 -2.596 -4.517 5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 332 -1.834 -5.462 4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 332 -0.763 -7.710 5.906 1.00 0.00 H new ATOM 0 HG22 VAL A 332 0.140 -6.870 4.623 1.00 0.00 H new ATOM 0 HG23 VAL A 332 0.809 -6.960 6.270 1.00 0.00 H new ATOM 734 N PHE A 333 -1.313 -2.437 5.771 1.00 0.00 N ATOM 735 CA PHE A 333 -1.869 -1.180 6.349 1.00 0.00 C ATOM 736 C PHE A 333 -3.364 -1.086 6.037 1.00 0.00 C ATOM 737 O PHE A 333 -3.810 -1.461 4.970 1.00 0.00 O ATOM 738 CB PHE A 333 -1.129 0.000 5.731 1.00 0.00 C ATOM 739 CG PHE A 333 0.352 -0.297 5.754 1.00 0.00 C ATOM 740 CD1 PHE A 333 1.104 -0.013 6.900 1.00 0.00 C ATOM 741 CD2 PHE A 333 0.968 -0.872 4.637 1.00 0.00 C ATOM 742 CE1 PHE A 333 2.473 -0.301 6.928 1.00 0.00 C ATOM 743 CE2 PHE A 333 2.338 -1.162 4.665 1.00 0.00 C ATOM 744 CZ PHE A 333 3.090 -0.876 5.810 1.00 0.00 C ATOM 0 H PHE A 333 -1.696 -2.697 4.862 1.00 0.00 H new ATOM 0 HA PHE A 333 -1.740 -1.172 7.431 1.00 0.00 H new ATOM 0 HB2 PHE A 333 -1.466 0.165 4.708 1.00 0.00 H new ATOM 0 HB3 PHE A 333 -1.341 0.913 6.287 1.00 0.00 H new ATOM 0 HD1 PHE A 333 0.627 0.429 7.763 1.00 0.00 H new ATOM 0 HD2 PHE A 333 0.387 -1.092 3.753 1.00 0.00 H new ATOM 0 HE1 PHE A 333 3.054 -0.080 7.811 1.00 0.00 H new ATOM 0 HE2 PHE A 333 2.814 -1.606 3.803 1.00 0.00 H new ATOM 0 HZ PHE A 333 4.147 -1.099 5.831 1.00 0.00 H new ATOM 754 N HIS A 334 -4.144 -0.601 6.972 1.00 0.00 N ATOM 755 CA HIS A 334 -5.623 -0.491 6.761 1.00 0.00 C ATOM 756 C HIS A 334 -6.008 0.970 6.468 1.00 0.00 C ATOM 757 O HIS A 334 -7.161 1.275 6.236 1.00 0.00 O ATOM 758 CB HIS A 334 -6.334 -0.980 8.041 1.00 0.00 C ATOM 759 CG HIS A 334 -7.661 -1.613 7.706 1.00 0.00 C ATOM 760 ND1 HIS A 334 -8.530 -1.069 6.772 1.00 0.00 N ATOM 761 CD2 HIS A 334 -8.279 -2.746 8.178 1.00 0.00 C ATOM 762 CE1 HIS A 334 -9.612 -1.869 6.715 1.00 0.00 C ATOM 763 NE2 HIS A 334 -9.510 -2.904 7.551 1.00 0.00 N ATOM 0 H HIS A 334 -3.817 -0.273 7.881 1.00 0.00 H new ATOM 0 HA HIS A 334 -5.925 -1.101 5.910 1.00 0.00 H new ATOM 0 HB2 HIS A 334 -5.703 -1.701 8.561 1.00 0.00 H new ATOM 0 HB3 HIS A 334 -6.487 -0.142 8.721 1.00 0.00 H new ATOM 0 HD1 HIS A 334 -8.378 -0.219 6.228 1.00 0.00 H new ATOM 0 HD2 HIS A 334 -7.870 -3.413 8.923 1.00 0.00 H new ATOM 0 HE1 HIS A 334 -10.460 -1.694 6.070 1.00 0.00 H new ATOM 771 N ASP A 335 -5.058 1.875 6.485 1.00 0.00 N ATOM 772 CA ASP A 335 -5.380 3.315 6.215 1.00 0.00 C ATOM 773 C ASP A 335 -4.276 3.950 5.362 1.00 0.00 C ATOM 774 O ASP A 335 -3.103 3.711 5.568 1.00 0.00 O ATOM 775 CB ASP A 335 -5.486 4.067 7.543 1.00 0.00 C ATOM 776 CG ASP A 335 -6.450 3.328 8.474 1.00 0.00 C ATOM 777 OD1 ASP A 335 -7.552 3.036 8.043 1.00 0.00 O ATOM 778 OD2 ASP A 335 -6.067 3.069 9.602 1.00 0.00 O ATOM 0 H ASP A 335 -4.075 1.680 6.674 1.00 0.00 H new ATOM 0 HA ASP A 335 -6.326 3.374 5.678 1.00 0.00 H new ATOM 0 HB2 ASP A 335 -4.503 4.145 8.008 1.00 0.00 H new ATOM 0 HB3 ASP A 335 -5.839 5.084 7.370 1.00 0.00 H new ATOM 783 N LYS A 336 -4.649 4.752 4.399 1.00 0.00 N ATOM 784 CA LYS A 336 -3.631 5.404 3.521 1.00 0.00 C ATOM 785 C LYS A 336 -2.604 6.159 4.364 1.00 0.00 C ATOM 786 O LYS A 336 -1.449 6.262 4.000 1.00 0.00 O ATOM 787 CB LYS A 336 -4.322 6.366 2.537 1.00 0.00 C ATOM 788 CG LYS A 336 -4.995 7.547 3.268 1.00 0.00 C ATOM 789 CD LYS A 336 -6.216 7.067 4.071 1.00 0.00 C ATOM 790 CE LYS A 336 -7.178 8.237 4.310 1.00 0.00 C ATOM 791 NZ LYS A 336 -8.396 7.745 5.013 1.00 0.00 N ATOM 0 H LYS A 336 -5.618 4.985 4.182 1.00 0.00 H new ATOM 0 HA LYS A 336 -3.112 4.631 2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -3.589 6.748 1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 336 -5.070 5.821 1.961 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -4.278 8.023 3.937 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -5.304 8.301 2.544 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -6.727 6.270 3.531 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -5.893 6.650 5.025 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -6.689 9.008 4.905 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -7.454 8.695 3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -9.048 8.539 5.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -8.866 7.024 4.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -8.125 7.328 5.926 1.00 0.00 H new ATOM 805 N THR A 337 -3.004 6.692 5.484 1.00 0.00 N ATOM 806 CA THR A 337 -2.031 7.436 6.330 1.00 0.00 C ATOM 807 C THR A 337 -0.973 6.467 6.846 1.00 0.00 C ATOM 808 O THR A 337 0.204 6.620 6.587 1.00 0.00 O ATOM 809 CB THR A 337 -2.757 8.065 7.523 1.00 0.00 C ATOM 810 OG1 THR A 337 -3.655 9.064 7.059 1.00 0.00 O ATOM 811 CG2 THR A 337 -1.730 8.696 8.469 1.00 0.00 C ATOM 0 H THR A 337 -3.956 6.645 5.848 1.00 0.00 H new ATOM 0 HA THR A 337 -1.562 8.220 5.736 1.00 0.00 H new ATOM 0 HB THR A 337 -3.316 7.296 8.056 1.00 0.00 H new ATOM 0 HG1 THR A 337 -4.121 9.465 7.822 1.00 0.00 H new ATOM 0 HG21 THR A 337 -2.245 9.144 9.319 1.00 0.00 H new ATOM 0 HG22 THR A 337 -1.043 7.928 8.825 1.00 0.00 H new ATOM 0 HG23 THR A 337 -1.170 9.465 7.937 1.00 0.00 H new ATOM 819 N LYS A 338 -1.384 5.473 7.578 1.00 0.00 N ATOM 820 CA LYS A 338 -0.410 4.493 8.120 1.00 0.00 C ATOM 821 C LYS A 338 0.533 4.038 7.001 1.00 0.00 C ATOM 822 O LYS A 338 1.732 3.962 7.182 1.00 0.00 O ATOM 823 CB LYS A 338 -1.195 3.302 8.689 1.00 0.00 C ATOM 824 CG LYS A 338 -0.438 2.651 9.853 1.00 0.00 C ATOM 825 CD LYS A 338 -1.376 1.680 10.566 1.00 0.00 C ATOM 826 CE LYS A 338 -0.694 1.115 11.816 1.00 0.00 C ATOM 827 NZ LYS A 338 -0.813 2.097 12.930 1.00 0.00 N ATOM 0 H LYS A 338 -2.358 5.297 7.825 1.00 0.00 H new ATOM 0 HA LYS A 338 0.192 4.942 8.910 1.00 0.00 H new ATOM 0 HB2 LYS A 338 -2.175 3.637 9.030 1.00 0.00 H new ATOM 0 HB3 LYS A 338 -1.365 2.565 7.904 1.00 0.00 H new ATOM 0 HG2 LYS A 338 0.442 2.124 9.484 1.00 0.00 H new ATOM 0 HG3 LYS A 338 -0.085 3.413 10.547 1.00 0.00 H new ATOM 0 HD2 LYS A 338 -2.298 2.190 10.844 1.00 0.00 H new ATOM 0 HD3 LYS A 338 -1.652 0.868 9.893 1.00 0.00 H new ATOM 0 HE2 LYS A 338 -1.155 0.169 12.099 1.00 0.00 H new ATOM 0 HE3 LYS A 338 0.356 0.908 11.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 338 -0.351 1.716 13.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 338 -0.354 2.989 12.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 338 -1.818 2.273 13.132 1.00 0.00 H new ATOM 841 N PHE A 339 0.003 3.741 5.846 1.00 0.00 N ATOM 842 CA PHE A 339 0.881 3.304 4.726 1.00 0.00 C ATOM 843 C PHE A 339 1.827 4.449 4.356 1.00 0.00 C ATOM 844 O PHE A 339 3.030 4.308 4.395 1.00 0.00 O ATOM 845 CB PHE A 339 0.026 2.915 3.516 1.00 0.00 C ATOM 846 CG PHE A 339 0.913 2.627 2.321 1.00 0.00 C ATOM 847 CD1 PHE A 339 1.916 1.646 2.400 1.00 0.00 C ATOM 848 CD2 PHE A 339 0.735 3.341 1.130 1.00 0.00 C ATOM 849 CE1 PHE A 339 2.731 1.386 1.292 1.00 0.00 C ATOM 850 CE2 PHE A 339 1.550 3.080 0.024 1.00 0.00 C ATOM 851 CZ PHE A 339 2.548 2.104 0.104 1.00 0.00 C ATOM 0 H PHE A 339 -0.993 3.782 5.631 1.00 0.00 H new ATOM 0 HA PHE A 339 1.465 2.436 5.034 1.00 0.00 H new ATOM 0 HB2 PHE A 339 -0.575 2.037 3.753 1.00 0.00 H new ATOM 0 HB3 PHE A 339 -0.668 3.721 3.277 1.00 0.00 H new ATOM 0 HD1 PHE A 339 2.058 1.092 3.316 1.00 0.00 H new ATOM 0 HD2 PHE A 339 -0.034 4.096 1.065 1.00 0.00 H new ATOM 0 HE1 PHE A 339 3.501 0.631 1.354 1.00 0.00 H new ATOM 0 HE2 PHE A 339 1.408 3.633 -0.893 1.00 0.00 H new ATOM 0 HZ PHE A 339 3.178 1.904 -0.750 1.00 0.00 H new ATOM 861 N THR A 340 1.301 5.588 4.000 1.00 0.00 N ATOM 862 CA THR A 340 2.195 6.729 3.642 1.00 0.00 C ATOM 863 C THR A 340 3.260 6.900 4.727 1.00 0.00 C ATOM 864 O THR A 340 4.422 7.118 4.442 1.00 0.00 O ATOM 865 CB THR A 340 1.370 8.012 3.524 1.00 0.00 C ATOM 866 OG1 THR A 340 0.313 7.810 2.596 1.00 0.00 O ATOM 867 CG2 THR A 340 2.264 9.153 3.040 1.00 0.00 C ATOM 0 H THR A 340 0.301 5.779 3.941 1.00 0.00 H new ATOM 0 HA THR A 340 2.679 6.525 2.687 1.00 0.00 H new ATOM 0 HB THR A 340 0.955 8.268 4.499 1.00 0.00 H new ATOM 0 HG1 THR A 340 -0.424 7.338 3.037 1.00 0.00 H new ATOM 0 HG21 THR A 340 1.675 10.066 2.956 1.00 0.00 H new ATOM 0 HG22 THR A 340 3.074 9.308 3.753 1.00 0.00 H new ATOM 0 HG23 THR A 340 2.681 8.900 2.065 1.00 0.00 H new ATOM 875 N GLN A 341 2.877 6.790 5.969 1.00 0.00 N ATOM 876 CA GLN A 341 3.872 6.931 7.071 1.00 0.00 C ATOM 877 C GLN A 341 4.888 5.800 6.968 1.00 0.00 C ATOM 878 O GLN A 341 6.078 6.023 7.034 1.00 0.00 O ATOM 879 CB GLN A 341 3.155 6.860 8.422 1.00 0.00 C ATOM 880 CG GLN A 341 2.335 8.134 8.631 1.00 0.00 C ATOM 881 CD GLN A 341 1.457 7.981 9.875 1.00 0.00 C ATOM 882 OE1 GLN A 341 1.408 6.923 10.473 1.00 0.00 O ATOM 883 NE2 GLN A 341 0.758 9.001 10.294 1.00 0.00 N ATOM 0 H GLN A 341 1.919 6.609 6.269 1.00 0.00 H new ATOM 0 HA GLN A 341 4.382 7.891 6.989 1.00 0.00 H new ATOM 0 HB2 GLN A 341 2.504 5.986 8.455 1.00 0.00 H new ATOM 0 HB3 GLN A 341 3.882 6.747 9.226 1.00 0.00 H new ATOM 0 HG2 GLN A 341 2.999 8.991 8.745 1.00 0.00 H new ATOM 0 HG3 GLN A 341 1.714 8.326 7.756 1.00 0.00 H new ATOM 0 HE21 GLN A 341 0.799 9.888 9.792 1.00 0.00 H new ATOM 0 HE22 GLN A 341 0.171 8.911 11.123 1.00 0.00 H new ATOM 892 N TYR A 342 4.428 4.589 6.798 1.00 0.00 N ATOM 893 CA TYR A 342 5.372 3.436 6.684 1.00 0.00 C ATOM 894 C TYR A 342 6.510 3.804 5.724 1.00 0.00 C ATOM 895 O TYR A 342 7.651 3.443 5.931 1.00 0.00 O ATOM 896 CB TYR A 342 4.620 2.207 6.165 1.00 0.00 C ATOM 897 CG TYR A 342 5.598 1.092 5.875 1.00 0.00 C ATOM 898 CD1 TYR A 342 6.376 0.557 6.907 1.00 0.00 C ATOM 899 CD2 TYR A 342 5.725 0.596 4.573 1.00 0.00 C ATOM 900 CE1 TYR A 342 7.281 -0.476 6.637 1.00 0.00 C ATOM 901 CE2 TYR A 342 6.630 -0.437 4.302 1.00 0.00 C ATOM 902 CZ TYR A 342 7.408 -0.972 5.335 1.00 0.00 C ATOM 903 OH TYR A 342 8.300 -1.991 5.070 1.00 0.00 O ATOM 0 H TYR A 342 3.439 4.347 6.733 1.00 0.00 H new ATOM 0 HA TYR A 342 5.792 3.206 7.663 1.00 0.00 H new ATOM 0 HB2 TYR A 342 3.889 1.878 6.903 1.00 0.00 H new ATOM 0 HB3 TYR A 342 4.067 2.463 5.261 1.00 0.00 H new ATOM 0 HD1 TYR A 342 6.278 0.941 7.912 1.00 0.00 H new ATOM 0 HD2 TYR A 342 5.125 1.010 3.777 1.00 0.00 H new ATOM 0 HE1 TYR A 342 7.881 -0.890 7.434 1.00 0.00 H new ATOM 0 HE2 TYR A 342 6.728 -0.821 3.297 1.00 0.00 H new ATOM 0 HH TYR A 342 8.396 -2.556 5.865 1.00 0.00 H new ATOM 913 N LEU A 343 6.214 4.527 4.678 1.00 0.00 N ATOM 914 CA LEU A 343 7.293 4.930 3.728 1.00 0.00 C ATOM 915 C LEU A 343 8.046 6.129 4.301 1.00 0.00 C ATOM 916 O LEU A 343 9.264 6.160 4.316 1.00 0.00 O ATOM 917 CB LEU A 343 6.692 5.309 2.374 1.00 0.00 C ATOM 918 CG LEU A 343 5.558 4.355 2.006 1.00 0.00 C ATOM 919 CD1 LEU A 343 5.003 4.776 0.655 1.00 0.00 C ATOM 920 CD2 LEU A 343 6.084 2.924 1.895 1.00 0.00 C ATOM 0 H LEU A 343 5.278 4.855 4.440 1.00 0.00 H new ATOM 0 HA LEU A 343 7.977 4.092 3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 343 6.317 6.332 2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 343 7.464 5.279 1.605 1.00 0.00 H new ATOM 0 HG LEU A 343 4.787 4.392 2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 343 4.190 4.107 0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 343 4.627 5.797 0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 343 5.793 4.726 -0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 343 5.265 2.255 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 343 6.852 2.878 1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 343 6.510 2.618 2.850 1.00 0.00 H new ATOM 932 N SER A 344 7.331 7.115 4.777 1.00 0.00 N ATOM 933 CA SER A 344 8.004 8.311 5.358 1.00 0.00 C ATOM 934 C SER A 344 9.106 7.843 6.305 1.00 0.00 C ATOM 935 O SER A 344 10.074 8.537 6.541 1.00 0.00 O ATOM 936 CB SER A 344 6.984 9.145 6.133 1.00 0.00 C ATOM 937 OG SER A 344 7.539 10.422 6.416 1.00 0.00 O ATOM 0 H SER A 344 6.311 7.142 4.788 1.00 0.00 H new ATOM 0 HA SER A 344 8.433 8.919 4.562 1.00 0.00 H new ATOM 0 HB2 SER A 344 6.069 9.254 5.551 1.00 0.00 H new ATOM 0 HB3 SER A 344 6.713 8.640 7.060 1.00 0.00 H new ATOM 0 HG SER A 344 6.887 10.960 6.912 1.00 0.00 H new ATOM 943 N THR A 345 8.961 6.655 6.841 1.00 0.00 N ATOM 944 CA THR A 345 9.991 6.108 7.772 1.00 0.00 C ATOM 945 C THR A 345 10.850 5.073 7.034 1.00 0.00 C ATOM 946 O THR A 345 11.880 4.656 7.526 1.00 0.00 O ATOM 947 CB THR A 345 9.298 5.478 8.989 1.00 0.00 C ATOM 948 OG1 THR A 345 10.280 5.073 9.932 1.00 0.00 O ATOM 949 CG2 THR A 345 8.459 4.268 8.574 1.00 0.00 C ATOM 0 H THR A 345 8.167 6.038 6.670 1.00 0.00 H new ATOM 0 HA THR A 345 10.641 6.911 8.121 1.00 0.00 H new ATOM 0 HB THR A 345 8.636 6.220 9.435 1.00 0.00 H new ATOM 0 HG1 THR A 345 11.087 4.781 9.459 1.00 0.00 H new ATOM 0 HG21 THR A 345 7.978 3.840 9.454 1.00 0.00 H new ATOM 0 HG22 THR A 345 7.697 4.581 7.860 1.00 0.00 H new ATOM 0 HG23 THR A 345 9.103 3.520 8.112 1.00 0.00 H new ATOM 957 N ASN A 346 10.443 4.664 5.846 1.00 0.00 N ATOM 958 CA ASN A 346 11.248 3.665 5.063 1.00 0.00 C ATOM 959 C ASN A 346 11.607 4.289 3.709 1.00 0.00 C ATOM 960 O ASN A 346 10.939 4.065 2.719 1.00 0.00 O ATOM 961 CB ASN A 346 10.422 2.394 4.832 1.00 0.00 C ATOM 962 CG ASN A 346 11.286 1.342 4.138 1.00 0.00 C ATOM 963 OD1 ASN A 346 12.411 1.101 4.535 1.00 0.00 O ATOM 964 ND2 ASN A 346 10.805 0.699 3.109 1.00 0.00 N ATOM 0 H ASN A 346 9.588 4.980 5.388 1.00 0.00 H new ATOM 0 HA ASN A 346 12.151 3.404 5.614 1.00 0.00 H new ATOM 0 HB2 ASN A 346 10.055 2.008 5.783 1.00 0.00 H new ATOM 0 HB3 ASN A 346 9.548 2.622 4.222 1.00 0.00 H new ATOM 0 HD21 ASN A 346 11.372 -0.006 2.637 1.00 0.00 H new ATOM 0 HD22 ASN A 346 9.862 0.901 2.777 1.00 0.00 H new ATOM 971 N PRO A 347 12.650 5.082 3.670 1.00 0.00 N ATOM 972 CA PRO A 347 13.097 5.770 2.424 1.00 0.00 C ATOM 973 C PRO A 347 13.203 4.822 1.222 1.00 0.00 C ATOM 974 O PRO A 347 12.861 5.176 0.114 1.00 0.00 O ATOM 975 CB PRO A 347 14.479 6.329 2.797 1.00 0.00 C ATOM 976 CG PRO A 347 14.419 6.528 4.276 1.00 0.00 C ATOM 977 CD PRO A 347 13.523 5.410 4.810 1.00 0.00 C ATOM 0 HA PRO A 347 12.384 6.532 2.110 1.00 0.00 H new ATOM 0 HB2 PRO A 347 15.274 5.636 2.522 1.00 0.00 H new ATOM 0 HB3 PRO A 347 14.680 7.267 2.279 1.00 0.00 H new ATOM 0 HG2 PRO A 347 15.414 6.477 4.718 1.00 0.00 H new ATOM 0 HG3 PRO A 347 14.011 7.508 4.523 1.00 0.00 H new ATOM 0 HD2 PRO A 347 14.108 4.546 5.127 1.00 0.00 H new ATOM 0 HD3 PRO A 347 12.946 5.739 5.674 1.00 0.00 H new ATOM 985 N ALA A 348 13.689 3.628 1.440 1.00 0.00 N ATOM 986 CA ALA A 348 13.844 2.649 0.320 1.00 0.00 C ATOM 987 C ALA A 348 12.655 2.716 -0.644 1.00 0.00 C ATOM 988 O ALA A 348 12.824 2.863 -1.840 1.00 0.00 O ATOM 989 CB ALA A 348 13.945 1.234 0.894 1.00 0.00 C ATOM 0 H ALA A 348 13.988 3.285 2.353 1.00 0.00 H new ATOM 0 HA ALA A 348 14.750 2.901 -0.231 1.00 0.00 H new ATOM 0 HB1 ALA A 348 14.058 0.518 0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 348 14.809 1.171 1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 348 13.040 1.004 1.456 1.00 0.00 H new ATOM 995 N LEU A 349 11.455 2.601 -0.147 1.00 0.00 N ATOM 996 CA LEU A 349 10.279 2.646 -1.062 1.00 0.00 C ATOM 997 C LEU A 349 10.033 4.088 -1.538 1.00 0.00 C ATOM 998 O LEU A 349 9.800 4.325 -2.701 1.00 0.00 O ATOM 999 CB LEU A 349 9.030 2.120 -0.333 1.00 0.00 C ATOM 1000 CG LEU A 349 8.964 0.577 -0.388 1.00 0.00 C ATOM 1001 CD1 LEU A 349 7.732 0.102 0.398 1.00 0.00 C ATOM 1002 CD2 LEU A 349 8.868 0.074 -1.851 1.00 0.00 C ATOM 0 H LEU A 349 11.238 2.479 0.842 1.00 0.00 H new ATOM 0 HA LEU A 349 10.482 2.017 -1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 349 9.045 2.450 0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 349 8.134 2.542 -0.788 1.00 0.00 H new ATOM 0 HG LEU A 349 9.875 0.172 0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 349 7.677 -0.986 0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 349 7.813 0.430 1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 349 6.831 0.525 -0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 349 8.823 -1.015 -1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 349 7.969 0.478 -2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 349 9.745 0.405 -2.408 1.00 0.00 H new ATOM 1014 N GLN A 350 10.067 5.046 -0.647 1.00 0.00 N ATOM 1015 CA GLN A 350 9.813 6.467 -1.052 1.00 0.00 C ATOM 1016 C GLN A 350 10.523 6.792 -2.371 1.00 0.00 C ATOM 1017 O GLN A 350 9.925 7.307 -3.294 1.00 0.00 O ATOM 1018 CB GLN A 350 10.334 7.414 0.031 1.00 0.00 C ATOM 1019 CG GLN A 350 9.484 7.278 1.297 1.00 0.00 C ATOM 1020 CD GLN A 350 9.788 8.444 2.241 1.00 0.00 C ATOM 1021 OE1 GLN A 350 10.646 8.278 3.209 1.00 0.00 O flip ATOM 1022 NE2 GLN A 350 9.237 9.517 2.096 1.00 0.00 N flip ATOM 0 H GLN A 350 10.260 4.908 0.345 1.00 0.00 H new ATOM 0 HA GLN A 350 8.738 6.596 -1.182 1.00 0.00 H new ATOM 0 HB2 GLN A 350 11.376 7.185 0.256 1.00 0.00 H new ATOM 0 HB3 GLN A 350 10.304 8.443 -0.328 1.00 0.00 H new ATOM 0 HG2 GLN A 350 8.425 7.272 1.038 1.00 0.00 H new ATOM 0 HG3 GLN A 350 9.697 6.330 1.791 1.00 0.00 H new ATOM 0 HE21 GLN A 350 8.566 9.647 1.339 1.00 0.00 H new ATOM 0 HE22 GLN A 350 9.446 10.287 2.731 1.00 0.00 H new ATOM 1031 N ARG A 351 11.791 6.511 -2.465 1.00 0.00 N ATOM 1032 CA ARG A 351 12.526 6.823 -3.725 1.00 0.00 C ATOM 1033 C ARG A 351 11.976 5.971 -4.867 1.00 0.00 C ATOM 1034 O ARG A 351 11.780 6.446 -5.968 1.00 0.00 O ATOM 1035 CB ARG A 351 14.017 6.526 -3.541 1.00 0.00 C ATOM 1036 CG ARG A 351 14.479 7.070 -2.188 1.00 0.00 C ATOM 1037 CD ARG A 351 15.993 6.891 -2.047 1.00 0.00 C ATOM 1038 NE ARG A 351 16.694 7.925 -2.858 1.00 0.00 N ATOM 1039 CZ ARG A 351 17.961 8.160 -2.657 1.00 0.00 C ATOM 1040 NH1 ARG A 351 18.611 7.493 -1.741 1.00 0.00 N ATOM 1041 NH2 ARG A 351 18.580 9.062 -3.369 1.00 0.00 N ATOM 0 H ARG A 351 12.350 6.081 -1.729 1.00 0.00 H new ATOM 0 HA ARG A 351 12.393 7.878 -3.963 1.00 0.00 H new ATOM 0 HB2 ARG A 351 14.195 5.452 -3.594 1.00 0.00 H new ATOM 0 HB3 ARG A 351 14.593 6.984 -4.345 1.00 0.00 H new ATOM 0 HG2 ARG A 351 14.219 8.125 -2.102 1.00 0.00 H new ATOM 0 HG3 ARG A 351 13.965 6.548 -1.381 1.00 0.00 H new ATOM 0 HD2 ARG A 351 16.284 6.976 -1.000 1.00 0.00 H new ATOM 0 HD3 ARG A 351 16.284 5.894 -2.379 1.00 0.00 H new ATOM 0 HE ARG A 351 16.184 8.449 -3.569 1.00 0.00 H new ATOM 0 HH11 ARG A 351 18.128 6.789 -1.183 1.00 0.00 H new ATOM 0 HH12 ARG A 351 19.602 7.676 -1.583 1.00 0.00 H new ATOM 0 HH21 ARG A 351 18.073 9.584 -4.084 1.00 0.00 H new ATOM 0 HH22 ARG A 351 19.571 9.245 -3.211 1.00 0.00 H new ATOM 1055 N ILE A 352 11.734 4.714 -4.622 1.00 0.00 N ATOM 1056 CA ILE A 352 11.207 3.840 -5.711 1.00 0.00 C ATOM 1057 C ILE A 352 9.775 4.252 -6.072 1.00 0.00 C ATOM 1058 O ILE A 352 9.492 4.614 -7.196 1.00 0.00 O ATOM 1059 CB ILE A 352 11.222 2.383 -5.247 1.00 0.00 C ATOM 1060 CG1 ILE A 352 12.662 1.967 -4.931 1.00 0.00 C ATOM 1061 CG2 ILE A 352 10.666 1.491 -6.358 1.00 0.00 C ATOM 1062 CD1 ILE A 352 12.667 0.595 -4.253 1.00 0.00 C ATOM 0 H ILE A 352 11.876 4.255 -3.722 1.00 0.00 H new ATOM 0 HA ILE A 352 11.838 3.949 -6.593 1.00 0.00 H new ATOM 0 HB ILE A 352 10.607 2.277 -4.353 1.00 0.00 H new ATOM 0 HG12 ILE A 352 13.250 1.932 -5.848 1.00 0.00 H new ATOM 0 HG13 ILE A 352 13.130 2.706 -4.281 1.00 0.00 H new ATOM 0 HG21 ILE A 352 10.676 0.452 -6.029 1.00 0.00 H new ATOM 0 HG22 ILE A 352 9.643 1.790 -6.587 1.00 0.00 H new ATOM 0 HG23 ILE A 352 11.282 1.595 -7.251 1.00 0.00 H new ATOM 0 HD11 ILE A 352 13.693 0.303 -4.030 1.00 0.00 H new ATOM 0 HD12 ILE A 352 12.095 0.645 -3.327 1.00 0.00 H new ATOM 0 HD13 ILE A 352 12.217 -0.141 -4.919 1.00 0.00 H new ATOM 1074 N ILE A 353 8.870 4.201 -5.134 1.00 0.00 N ATOM 1075 CA ILE A 353 7.466 4.589 -5.431 1.00 0.00 C ATOM 1076 C ILE A 353 7.431 6.034 -5.932 1.00 0.00 C ATOM 1077 O ILE A 353 6.525 6.435 -6.635 1.00 0.00 O ATOM 1078 CB ILE A 353 6.628 4.461 -4.152 1.00 0.00 C ATOM 1079 CG1 ILE A 353 7.096 5.500 -3.093 1.00 0.00 C ATOM 1080 CG2 ILE A 353 6.791 3.041 -3.597 1.00 0.00 C ATOM 1081 CD1 ILE A 353 6.162 6.719 -3.085 1.00 0.00 C ATOM 0 H ILE A 353 9.044 3.906 -4.173 1.00 0.00 H new ATOM 0 HA ILE A 353 7.057 3.935 -6.201 1.00 0.00 H new ATOM 0 HB ILE A 353 5.580 4.653 -4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 353 7.111 5.040 -2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 353 8.116 5.817 -3.312 1.00 0.00 H new ATOM 0 HG21 ILE A 353 6.200 2.936 -2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 353 6.448 2.319 -4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 353 7.841 2.857 -3.371 1.00 0.00 H new ATOM 0 HD11 ILE A 353 6.505 7.435 -2.338 1.00 0.00 H new ATOM 0 HD12 ILE A 353 6.169 7.189 -4.068 1.00 0.00 H new ATOM 0 HD13 ILE A 353 5.149 6.399 -2.843 1.00 0.00 H new TER 1093 ILE A 353