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= -2.27 X(o=-4.9,f=-4.7) USER MOD Set 1.2: A 312 CYS SG : rot -48:sc= -2.67! USER MOD Set 2.1: A 290 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 294 MET CE :methyl -115:sc= 0 (180deg=-1) USER MOD Single : A 293 THR OG1 : rot 173:sc= -0.168 USER MOD Single : A 295 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 301 THR OG1 : rot -170:sc= -0.344 USER MOD Single : A 305 GLN :FLIP amide:sc= -0.0549 F(o=-0.92,f=-0.055) USER MOD Single : A 306 THR OG1 : rot 70:sc= 0.176 USER MOD Single : A 311 LYS NZ :NH3+ 164:sc= -0.0311 (180deg=-0.426) USER MOD Single : A 313 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 318 TYR OH : rot 180:sc= 0 USER MOD Single : A 321 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.93) USER MOD Single : A 323 SER OG : rot 180:sc= 0 USER MOD Single : A 325 THR OG1 : rot 180:sc= 0 USER MOD Single : A 330 THR OG1 : rot 180:sc= 0 USER MOD Single : A 331 LYS NZ :NH3+ -142:sc= -0.225 (180deg=-1.25!) USER MOD Single : A 334 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.58) 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+ -161:sc= -0.0273 (180deg=-0.46) USER MOD Single : A 340 THR OG1 : rot -69:sc= -0.379 USER MOD Single : A 341 GLN : amide:sc= -0.0695 K(o=-0.069,f=-1.1) USER MOD Single : A 342 TYR OH : rot 80:sc= -0.395 USER MOD Single : A 344 SER OG : rot -62:sc= 0.529 USER MOD Single : A 345 THR OG1 : rot -29:sc= 0.488 USER MOD Single : A 346 ASN :FLIP amide:sc= -1.63 F(o=-4.1,f=-1.6) USER MOD Single : A 350 GLN : amide:sc= -2.96! C(o=-3!,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 289 -19.244 2.123 3.615 1.00 0.00 N ATOM 2 CA PHE A 289 -17.950 1.688 3.029 1.00 0.00 C ATOM 3 C PHE A 289 -17.751 2.382 1.686 1.00 0.00 C ATOM 4 O PHE A 289 -16.900 2.014 0.901 1.00 0.00 O ATOM 5 CB PHE A 289 -17.981 0.178 2.805 1.00 0.00 C ATOM 6 CG PHE A 289 -18.349 -0.518 4.092 1.00 0.00 C ATOM 7 CD1 PHE A 289 -19.687 -0.566 4.499 1.00 0.00 C ATOM 8 CD2 PHE A 289 -17.357 -1.114 4.874 1.00 0.00 C ATOM 9 CE1 PHE A 289 -20.032 -1.212 5.693 1.00 0.00 C ATOM 10 CE2 PHE A 289 -17.700 -1.761 6.068 1.00 0.00 C ATOM 11 CZ PHE A 289 -19.038 -1.810 6.477 1.00 0.00 C ATOM 0 HA PHE A 289 -17.136 1.946 3.706 1.00 0.00 H new ATOM 0 HB2 PHE A 289 -18.703 -0.069 2.027 1.00 0.00 H new ATOM 0 HB3 PHE A 289 -17.007 -0.168 2.458 1.00 0.00 H new ATOM 0 HD1 PHE A 289 -20.453 -0.105 3.893 1.00 0.00 H new ATOM 0 HD2 PHE A 289 -16.325 -1.076 4.558 1.00 0.00 H new ATOM 0 HE1 PHE A 289 -21.064 -1.249 6.009 1.00 0.00 H new ATOM 0 HE2 PHE A 289 -16.933 -2.222 6.673 1.00 0.00 H new ATOM 0 HZ PHE A 289 -19.303 -2.309 7.397 1.00 0.00 H new ATOM 21 N SER A 290 -18.553 3.370 1.411 1.00 0.00 N ATOM 22 CA SER A 290 -18.452 4.092 0.110 1.00 0.00 C ATOM 23 C SER A 290 -17.551 5.328 0.239 1.00 0.00 C ATOM 24 O SER A 290 -16.747 5.605 -0.629 1.00 0.00 O ATOM 25 CB SER A 290 -19.865 4.497 -0.354 1.00 0.00 C ATOM 26 OG SER A 290 -20.045 4.086 -1.703 1.00 0.00 O ATOM 0 H SER A 290 -19.282 3.713 2.037 1.00 0.00 H new ATOM 0 HA SER A 290 -18.002 3.432 -0.631 1.00 0.00 H new ATOM 0 HB2 SER A 290 -20.618 4.034 0.284 1.00 0.00 H new ATOM 0 HB3 SER A 290 -19.994 5.576 -0.269 1.00 0.00 H new ATOM 0 HG SER A 290 -20.942 4.339 -2.005 1.00 0.00 H new ATOM 32 N PRO A 291 -17.699 6.076 1.292 1.00 0.00 N ATOM 33 CA PRO A 291 -16.910 7.306 1.513 1.00 0.00 C ATOM 34 C PRO A 291 -15.593 7.063 2.261 1.00 0.00 C ATOM 35 O PRO A 291 -14.557 7.558 1.876 1.00 0.00 O ATOM 36 CB PRO A 291 -17.866 8.171 2.342 1.00 0.00 C ATOM 37 CG PRO A 291 -18.692 7.194 3.135 1.00 0.00 C ATOM 38 CD PRO A 291 -18.632 5.838 2.399 1.00 0.00 C ATOM 0 HA PRO A 291 -16.591 7.761 0.575 1.00 0.00 H new ATOM 0 HB2 PRO A 291 -17.317 8.847 2.998 1.00 0.00 H new ATOM 0 HB3 PRO A 291 -18.494 8.789 1.701 1.00 0.00 H new ATOM 0 HG2 PRO A 291 -18.305 7.098 4.149 1.00 0.00 H new ATOM 0 HG3 PRO A 291 -19.722 7.541 3.218 1.00 0.00 H new ATOM 0 HD2 PRO A 291 -18.278 5.043 3.055 1.00 0.00 H new ATOM 0 HD3 PRO A 291 -19.615 5.537 2.035 1.00 0.00 H new ATOM 46 N GLU A 292 -15.628 6.336 3.344 1.00 0.00 N ATOM 47 CA GLU A 292 -14.372 6.108 4.129 1.00 0.00 C ATOM 48 C GLU A 292 -13.597 4.884 3.632 1.00 0.00 C ATOM 49 O GLU A 292 -12.398 4.932 3.430 1.00 0.00 O ATOM 50 CB GLU A 292 -14.729 5.922 5.611 1.00 0.00 C ATOM 51 CG GLU A 292 -15.535 4.631 5.802 1.00 0.00 C ATOM 52 CD GLU A 292 -16.265 4.672 7.147 1.00 0.00 C ATOM 53 OE1 GLU A 292 -16.957 5.645 7.394 1.00 0.00 O ATOM 54 OE2 GLU A 292 -16.118 3.729 7.908 1.00 0.00 O ATOM 0 H GLU A 292 -16.464 5.891 3.721 1.00 0.00 H new ATOM 0 HA GLU A 292 -13.731 6.980 3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 292 -13.819 5.884 6.210 1.00 0.00 H new ATOM 0 HB3 GLU A 292 -15.307 6.776 5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 292 -16.254 4.516 4.991 1.00 0.00 H new ATOM 0 HG3 GLU A 292 -14.871 3.767 5.764 1.00 0.00 H new ATOM 61 N THR A 293 -14.258 3.779 3.481 1.00 0.00 N ATOM 62 CA THR A 293 -13.558 2.535 3.058 1.00 0.00 C ATOM 63 C THR A 293 -13.148 2.571 1.590 1.00 0.00 C ATOM 64 O THR A 293 -12.029 2.248 1.243 1.00 0.00 O ATOM 65 CB THR A 293 -14.498 1.354 3.254 1.00 0.00 C ATOM 66 OG1 THR A 293 -15.033 1.380 4.570 1.00 0.00 O ATOM 67 CG2 THR A 293 -13.742 0.051 3.032 1.00 0.00 C ATOM 0 H THR A 293 -15.262 3.679 3.633 1.00 0.00 H new ATOM 0 HA THR A 293 -12.656 2.443 3.664 1.00 0.00 H new ATOM 0 HB THR A 293 -15.313 1.422 2.534 1.00 0.00 H new ATOM 0 HG1 THR A 293 -15.724 0.690 4.656 1.00 0.00 H new ATOM 0 HG21 THR A 293 -14.419 -0.791 3.173 1.00 0.00 H new ATOM 0 HG22 THR A 293 -13.344 0.030 2.018 1.00 0.00 H new ATOM 0 HG23 THR A 293 -12.921 -0.020 3.746 1.00 0.00 H new ATOM 75 N MET A 294 -14.050 2.893 0.719 1.00 0.00 N ATOM 76 CA MET A 294 -13.699 2.866 -0.722 1.00 0.00 C ATOM 77 C MET A 294 -12.520 3.802 -1.000 1.00 0.00 C ATOM 78 O MET A 294 -11.743 3.563 -1.897 1.00 0.00 O ATOM 79 CB MET A 294 -14.923 3.249 -1.565 1.00 0.00 C ATOM 80 CG MET A 294 -14.892 2.498 -2.904 1.00 0.00 C ATOM 81 SD MET A 294 -16.397 2.870 -3.842 1.00 0.00 S ATOM 82 CE MET A 294 -17.521 1.718 -2.999 1.00 0.00 C ATOM 0 H MET A 294 -15.007 3.172 0.936 1.00 0.00 H new ATOM 0 HA MET A 294 -13.396 1.856 -0.998 1.00 0.00 H new ATOM 0 HB2 MET A 294 -15.838 3.008 -1.024 1.00 0.00 H new ATOM 0 HB3 MET A 294 -14.932 4.325 -1.742 1.00 0.00 H new ATOM 0 HG2 MET A 294 -14.012 2.791 -3.477 1.00 0.00 H new ATOM 0 HG3 MET A 294 -14.816 1.425 -2.729 1.00 0.00 H new ATOM 0 HE1 MET A 294 -17.852 0.953 -3.702 1.00 0.00 H new ATOM 0 HE2 MET A 294 -17.000 1.245 -2.167 1.00 0.00 H new ATOM 0 HE3 MET A 294 -18.386 2.264 -2.622 1.00 0.00 H new ATOM 92 N LYS A 295 -12.362 4.852 -0.239 1.00 0.00 N ATOM 93 CA LYS A 295 -11.203 5.754 -0.485 1.00 0.00 C ATOM 94 C LYS A 295 -9.928 4.996 -0.138 1.00 0.00 C ATOM 95 O LYS A 295 -9.007 4.922 -0.925 1.00 0.00 O ATOM 96 CB LYS A 295 -11.322 7.005 0.381 1.00 0.00 C ATOM 97 CG LYS A 295 -12.462 7.880 -0.156 1.00 0.00 C ATOM 98 CD LYS A 295 -12.713 9.069 0.790 1.00 0.00 C ATOM 99 CE LYS A 295 -11.773 10.232 0.448 1.00 0.00 C ATOM 100 NZ LYS A 295 -12.347 11.015 -0.685 1.00 0.00 N ATOM 0 H LYS A 295 -12.975 5.120 0.530 1.00 0.00 H new ATOM 0 HA LYS A 295 -11.182 6.063 -1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 295 -11.516 6.728 1.417 1.00 0.00 H new ATOM 0 HB3 LYS A 295 -10.384 7.561 0.370 1.00 0.00 H new ATOM 0 HG2 LYS A 295 -12.211 8.245 -1.152 1.00 0.00 H new ATOM 0 HG3 LYS A 295 -13.371 7.286 -0.254 1.00 0.00 H new ATOM 0 HD2 LYS A 295 -13.750 9.395 0.708 1.00 0.00 H new ATOM 0 HD3 LYS A 295 -12.557 8.759 1.823 1.00 0.00 H new ATOM 0 HE2 LYS A 295 -11.640 10.875 1.318 1.00 0.00 H new ATOM 0 HE3 LYS A 295 -10.788 9.851 0.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 295 -11.711 11.804 -0.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 295 -12.452 10.398 -1.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 295 -13.278 11.390 -0.412 1.00 0.00 H new ATOM 114 N ALA A 296 -9.872 4.401 1.021 1.00 0.00 N ATOM 115 CA ALA A 296 -8.658 3.622 1.380 1.00 0.00 C ATOM 116 C ALA A 296 -8.458 2.557 0.298 1.00 0.00 C ATOM 117 O ALA A 296 -7.351 2.251 -0.101 1.00 0.00 O ATOM 118 CB ALA A 296 -8.853 2.962 2.748 1.00 0.00 C ATOM 0 H ALA A 296 -10.607 4.420 1.728 1.00 0.00 H new ATOM 0 HA ALA A 296 -7.783 4.270 1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 296 -7.961 2.392 3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 296 -9.024 3.731 3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 296 -9.713 2.293 2.710 1.00 0.00 H new ATOM 124 N ARG A 297 -9.540 2.016 -0.195 1.00 0.00 N ATOM 125 CA ARG A 297 -9.465 0.992 -1.275 1.00 0.00 C ATOM 126 C ARG A 297 -9.072 1.689 -2.581 1.00 0.00 C ATOM 127 O ARG A 297 -8.367 1.147 -3.408 1.00 0.00 O ATOM 128 CB ARG A 297 -10.846 0.351 -1.433 1.00 0.00 C ATOM 129 CG ARG A 297 -10.736 -0.956 -2.214 1.00 0.00 C ATOM 130 CD ARG A 297 -12.142 -1.481 -2.517 1.00 0.00 C ATOM 131 NE ARG A 297 -12.725 -0.708 -3.650 1.00 0.00 N ATOM 132 CZ ARG A 297 -13.801 -1.139 -4.248 1.00 0.00 C ATOM 133 NH1 ARG A 297 -14.385 -2.231 -3.834 1.00 0.00 N ATOM 134 NH2 ARG A 297 -14.301 -0.475 -5.254 1.00 0.00 N ATOM 0 H ARG A 297 -10.486 2.244 0.110 1.00 0.00 H new ATOM 0 HA ARG A 297 -8.729 0.226 -1.030 1.00 0.00 H new ATOM 0 HB2 ARG A 297 -11.281 0.161 -0.452 1.00 0.00 H new ATOM 0 HB3 ARG A 297 -11.516 1.037 -1.951 1.00 0.00 H new ATOM 0 HG2 ARG A 297 -10.187 -0.794 -3.142 1.00 0.00 H new ATOM 0 HG3 ARG A 297 -10.176 -1.692 -1.637 1.00 0.00 H new ATOM 0 HD2 ARG A 297 -12.100 -2.541 -2.769 1.00 0.00 H new ATOM 0 HD3 ARG A 297 -12.775 -1.388 -1.635 1.00 0.00 H new ATOM 0 HE ARG A 297 -12.283 0.158 -3.958 1.00 0.00 H new ATOM 0 HH11 ARG A 297 -14.000 -2.747 -3.043 1.00 0.00 H new ATOM 0 HH12 ARG A 297 -15.226 -2.568 -4.302 1.00 0.00 H new ATOM 0 HH21 ARG A 297 -13.850 0.382 -5.574 1.00 0.00 H new ATOM 0 HH22 ARG A 297 -15.143 -0.813 -5.721 1.00 0.00 H new ATOM 148 N ARG A 298 -9.528 2.894 -2.766 1.00 0.00 N ATOM 149 CA ARG A 298 -9.184 3.641 -4.007 1.00 0.00 C ATOM 150 C ARG A 298 -7.689 3.936 -3.991 1.00 0.00 C ATOM 151 O ARG A 298 -6.979 3.656 -4.938 1.00 0.00 O ATOM 152 CB ARG A 298 -9.984 4.952 -4.056 1.00 0.00 C ATOM 153 CG ARG A 298 -9.782 5.669 -5.416 1.00 0.00 C ATOM 154 CD ARG A 298 -8.731 6.780 -5.284 1.00 0.00 C ATOM 155 NE ARG A 298 -9.366 7.986 -4.681 1.00 0.00 N ATOM 156 CZ ARG A 298 -8.624 8.954 -4.217 1.00 0.00 C ATOM 157 NH1 ARG A 298 -7.324 8.874 -4.296 1.00 0.00 N ATOM 158 NH2 ARG A 298 -9.183 10.002 -3.677 1.00 0.00 N ATOM 0 H ARG A 298 -10.126 3.396 -2.110 1.00 0.00 H new ATOM 0 HA ARG A 298 -9.433 3.050 -4.888 1.00 0.00 H new ATOM 0 HB2 ARG A 298 -11.043 4.743 -3.903 1.00 0.00 H new ATOM 0 HB3 ARG A 298 -9.668 5.607 -3.244 1.00 0.00 H new ATOM 0 HG2 ARG A 298 -9.466 4.949 -6.171 1.00 0.00 H new ATOM 0 HG3 ARG A 298 -10.727 6.092 -5.755 1.00 0.00 H new ATOM 0 HD2 ARG A 298 -7.902 6.441 -4.662 1.00 0.00 H new ATOM 0 HD3 ARG A 298 -8.317 7.023 -6.262 1.00 0.00 H new ATOM 0 HE ARG A 298 -10.382 8.055 -4.631 1.00 0.00 H new ATOM 0 HH11 ARG A 298 -6.888 8.055 -4.720 1.00 0.00 H new ATOM 0 HH12 ARG A 298 -6.744 9.630 -3.934 1.00 0.00 H new ATOM 0 HH21 ARG A 298 -10.199 10.064 -3.618 1.00 0.00 H new ATOM 0 HH22 ARG A 298 -8.604 10.759 -3.314 1.00 0.00 H new ATOM 172 N ALA A 299 -7.195 4.474 -2.909 1.00 0.00 N ATOM 173 CA ALA A 299 -5.732 4.754 -2.821 1.00 0.00 C ATOM 174 C ALA A 299 -4.984 3.483 -3.221 1.00 0.00 C ATOM 175 O ALA A 299 -4.188 3.472 -4.139 1.00 0.00 O ATOM 176 CB ALA A 299 -5.364 5.126 -1.383 1.00 0.00 C ATOM 0 H ALA A 299 -7.738 4.731 -2.085 1.00 0.00 H new ATOM 0 HA ALA A 299 -5.465 5.580 -3.480 1.00 0.00 H new ATOM 0 HB1 ALA A 299 -4.295 5.330 -1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 299 -5.920 6.014 -1.083 1.00 0.00 H new ATOM 0 HB3 ALA A 299 -5.614 4.299 -0.718 1.00 0.00 H new ATOM 182 N TRP A 300 -5.276 2.403 -2.546 1.00 0.00 N ATOM 183 CA TRP A 300 -4.636 1.095 -2.868 1.00 0.00 C ATOM 184 C TRP A 300 -4.589 0.900 -4.385 1.00 0.00 C ATOM 185 O TRP A 300 -3.688 0.279 -4.909 1.00 0.00 O ATOM 186 CB TRP A 300 -5.476 -0.015 -2.254 1.00 0.00 C ATOM 187 CG TRP A 300 -5.502 0.055 -0.747 1.00 0.00 C ATOM 188 CD1 TRP A 300 -6.280 -0.758 0.004 1.00 0.00 C ATOM 189 CD2 TRP A 300 -4.769 0.913 0.214 1.00 0.00 C ATOM 190 NE1 TRP A 300 -6.069 -0.492 1.338 1.00 0.00 N ATOM 191 CE2 TRP A 300 -5.155 0.519 1.526 1.00 0.00 C ATOM 192 CE3 TRP A 300 -3.818 1.964 0.108 1.00 0.00 C ATOM 193 CZ2 TRP A 300 -4.629 1.125 2.665 1.00 0.00 C ATOM 194 CZ3 TRP A 300 -3.294 2.569 1.262 1.00 0.00 C ATOM 195 CH2 TRP A 300 -3.694 2.147 2.534 1.00 0.00 C ATOM 0 H TRP A 300 -5.941 2.372 -1.773 1.00 0.00 H new ATOM 0 HA TRP A 300 -3.621 1.074 -2.471 1.00 0.00 H new ATOM 0 HB2 TRP A 300 -6.495 0.049 -2.636 1.00 0.00 H new ATOM 0 HB3 TRP A 300 -5.080 -0.982 -2.564 1.00 0.00 H new ATOM 0 HD1 TRP A 300 -6.961 -1.501 -0.383 1.00 0.00 H new ATOM 0 HE1 TRP A 300 -6.536 -0.987 2.098 1.00 0.00 H new ATOM 0 HE3 TRP A 300 -3.496 2.300 -0.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 300 -4.946 0.803 3.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 300 -2.574 3.369 1.166 1.00 0.00 H new ATOM 0 HH2 TRP A 300 -3.277 2.614 3.414 1.00 0.00 H new ATOM 206 N THR A 301 -5.552 1.420 -5.092 1.00 0.00 N ATOM 207 CA THR A 301 -5.562 1.259 -6.574 1.00 0.00 C ATOM 208 C THR A 301 -4.364 1.999 -7.191 1.00 0.00 C ATOM 209 O THR A 301 -3.603 1.445 -7.961 1.00 0.00 O ATOM 210 CB THR A 301 -6.863 1.848 -7.131 1.00 0.00 C ATOM 211 OG1 THR A 301 -7.925 1.584 -6.226 1.00 0.00 O ATOM 212 CG2 THR A 301 -7.184 1.222 -8.492 1.00 0.00 C ATOM 0 H THR A 301 -6.334 1.950 -4.708 1.00 0.00 H new ATOM 0 HA THR A 301 -5.494 0.200 -6.824 1.00 0.00 H new ATOM 0 HB THR A 301 -6.744 2.924 -7.255 1.00 0.00 H new ATOM 0 HG1 THR A 301 -8.779 1.817 -6.647 1.00 0.00 H new ATOM 0 HG21 THR A 301 -8.110 1.647 -8.879 1.00 0.00 H new ATOM 0 HG22 THR A 301 -6.371 1.429 -9.188 1.00 0.00 H new ATOM 0 HG23 THR A 301 -7.299 0.144 -8.379 1.00 0.00 H new ATOM 220 N ASP A 302 -4.210 3.254 -6.871 1.00 0.00 N ATOM 221 CA ASP A 302 -3.083 4.045 -7.444 1.00 0.00 C ATOM 222 C ASP A 302 -1.745 3.384 -7.107 1.00 0.00 C ATOM 223 O ASP A 302 -0.899 3.201 -7.961 1.00 0.00 O ATOM 224 CB ASP A 302 -3.111 5.457 -6.859 1.00 0.00 C ATOM 225 CG ASP A 302 -1.968 6.278 -7.457 1.00 0.00 C ATOM 226 OD1 ASP A 302 -0.827 5.880 -7.291 1.00 0.00 O ATOM 227 OD2 ASP A 302 -2.253 7.292 -8.072 1.00 0.00 O ATOM 0 H ASP A 302 -4.819 3.769 -6.234 1.00 0.00 H new ATOM 0 HA ASP A 302 -3.193 4.088 -8.528 1.00 0.00 H new ATOM 0 HB2 ASP A 302 -4.067 5.933 -7.075 1.00 0.00 H new ATOM 0 HB3 ASP A 302 -3.014 5.415 -5.774 1.00 0.00 H new ATOM 232 N VAL A 303 -1.534 3.036 -5.871 1.00 0.00 N ATOM 233 CA VAL A 303 -0.243 2.406 -5.500 1.00 0.00 C ATOM 234 C VAL A 303 -0.197 0.968 -6.025 1.00 0.00 C ATOM 235 O VAL A 303 0.860 0.436 -6.294 1.00 0.00 O ATOM 236 CB VAL A 303 -0.092 2.411 -3.978 1.00 0.00 C ATOM 237 CG1 VAL A 303 0.152 3.841 -3.490 1.00 0.00 C ATOM 238 CG2 VAL A 303 -1.367 1.867 -3.336 1.00 0.00 C ATOM 0 H VAL A 303 -2.197 3.160 -5.106 1.00 0.00 H new ATOM 0 HA VAL A 303 0.576 2.971 -5.945 1.00 0.00 H new ATOM 0 HB VAL A 303 0.754 1.783 -3.698 1.00 0.00 H new ATOM 0 HG11 VAL A 303 0.259 3.842 -2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 303 1.063 4.230 -3.945 1.00 0.00 H new ATOM 0 HG13 VAL A 303 -0.692 4.471 -3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 303 -1.258 1.871 -2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 303 -2.213 2.494 -3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 303 -1.541 0.847 -3.680 1.00 0.00 H new ATOM 248 N ILE A 304 -1.328 0.333 -6.186 1.00 0.00 N ATOM 249 CA ILE A 304 -1.314 -1.069 -6.701 1.00 0.00 C ATOM 250 C ILE A 304 -0.496 -1.106 -7.999 1.00 0.00 C ATOM 251 O ILE A 304 0.320 -1.983 -8.201 1.00 0.00 O ATOM 252 CB ILE A 304 -2.774 -1.544 -6.932 1.00 0.00 C ATOM 253 CG1 ILE A 304 -3.246 -2.393 -5.738 1.00 0.00 C ATOM 254 CG2 ILE A 304 -2.905 -2.378 -8.215 1.00 0.00 C ATOM 255 CD1 ILE A 304 -4.777 -2.473 -5.719 1.00 0.00 C ATOM 0 H ILE A 304 -2.251 0.718 -5.986 1.00 0.00 H new ATOM 0 HA ILE A 304 -0.852 -1.744 -5.980 1.00 0.00 H new ATOM 0 HB ILE A 304 -3.394 -0.653 -7.033 1.00 0.00 H new ATOM 0 HG12 ILE A 304 -2.823 -3.395 -5.805 1.00 0.00 H new ATOM 0 HG13 ILE A 304 -2.886 -1.956 -4.807 1.00 0.00 H new ATOM 0 HG21 ILE A 304 -3.941 -2.691 -8.341 1.00 0.00 H new ATOM 0 HG22 ILE A 304 -2.601 -1.777 -9.072 1.00 0.00 H new ATOM 0 HG23 ILE A 304 -2.266 -3.258 -8.144 1.00 0.00 H new ATOM 0 HD11 ILE A 304 -5.099 -3.076 -4.870 1.00 0.00 H new ATOM 0 HD12 ILE A 304 -5.193 -1.469 -5.630 1.00 0.00 H new ATOM 0 HD13 ILE A 304 -5.129 -2.931 -6.644 1.00 0.00 H new ATOM 267 N GLN A 305 -0.704 -0.167 -8.879 1.00 0.00 N ATOM 268 CA GLN A 305 0.072 -0.173 -10.149 1.00 0.00 C ATOM 269 C GLN A 305 1.505 0.284 -9.866 1.00 0.00 C ATOM 270 O GLN A 305 2.435 -0.113 -10.540 1.00 0.00 O ATOM 271 CB GLN A 305 -0.581 0.766 -11.169 1.00 0.00 C ATOM 272 CG GLN A 305 -0.845 2.126 -10.523 1.00 0.00 C ATOM 273 CD GLN A 305 -1.170 3.153 -11.610 1.00 0.00 C ATOM 274 OE1 GLN A 305 -0.482 3.153 -12.718 1.00 0.00 O flip ATOM 275 NE2 GLN A 305 -2.059 3.966 -11.446 1.00 0.00 N flip ATOM 0 H GLN A 305 -1.371 0.597 -8.775 1.00 0.00 H new ATOM 0 HA GLN A 305 0.084 -1.182 -10.560 1.00 0.00 H new ATOM 0 HB2 GLN A 305 0.069 0.885 -12.036 1.00 0.00 H new ATOM 0 HB3 GLN A 305 -1.516 0.335 -11.528 1.00 0.00 H new ATOM 0 HG2 GLN A 305 -1.674 2.051 -9.819 1.00 0.00 H new ATOM 0 HG3 GLN A 305 0.028 2.446 -9.955 1.00 0.00 H new ATOM 0 HE21 GLN A 305 -2.597 3.966 -10.579 1.00 0.00 H new ATOM 0 HE22 GLN A 305 -2.267 4.648 -12.175 1.00 0.00 H new ATOM 284 N THR A 306 1.694 1.111 -8.871 1.00 0.00 N ATOM 285 CA THR A 306 3.076 1.579 -8.553 1.00 0.00 C ATOM 286 C THR A 306 3.886 0.426 -7.961 1.00 0.00 C ATOM 287 O THR A 306 4.995 0.167 -8.366 1.00 0.00 O ATOM 288 CB THR A 306 3.026 2.715 -7.527 1.00 0.00 C ATOM 289 OG1 THR A 306 2.102 3.705 -7.958 1.00 0.00 O ATOM 290 CG2 THR A 306 4.419 3.341 -7.374 1.00 0.00 C ATOM 0 H THR A 306 0.958 1.480 -8.269 1.00 0.00 H new ATOM 0 HA THR A 306 3.542 1.934 -9.472 1.00 0.00 H new ATOM 0 HB THR A 306 2.706 2.315 -6.565 1.00 0.00 H new ATOM 0 HG1 THR A 306 1.191 3.349 -7.902 1.00 0.00 H new ATOM 0 HG21 THR A 306 4.377 4.148 -6.643 1.00 0.00 H new ATOM 0 HG22 THR A 306 5.124 2.582 -7.036 1.00 0.00 H new ATOM 0 HG23 THR A 306 4.747 3.738 -8.335 1.00 0.00 H new ATOM 298 N LEU A 307 3.347 -0.253 -6.989 1.00 0.00 N ATOM 299 CA LEU A 307 4.099 -1.375 -6.351 1.00 0.00 C ATOM 300 C LEU A 307 4.739 -2.253 -7.438 1.00 0.00 C ATOM 301 O LEU A 307 5.876 -2.665 -7.327 1.00 0.00 O ATOM 302 CB LEU A 307 3.124 -2.227 -5.508 1.00 0.00 C ATOM 303 CG LEU A 307 3.015 -1.730 -4.046 1.00 0.00 C ATOM 304 CD1 LEU A 307 4.399 -1.667 -3.363 1.00 0.00 C ATOM 305 CD2 LEU A 307 2.346 -0.348 -4.006 1.00 0.00 C ATOM 0 H LEU A 307 2.417 -0.082 -6.606 1.00 0.00 H new ATOM 0 HA LEU A 307 4.882 -0.970 -5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 307 2.137 -2.207 -5.970 1.00 0.00 H new ATOM 0 HB3 LEU A 307 3.457 -3.265 -5.512 1.00 0.00 H new ATOM 0 HG LEU A 307 2.402 -2.445 -3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 307 4.283 -1.314 -2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 307 4.847 -2.661 -3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 307 5.045 -0.982 -3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 307 2.274 -0.008 -2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 307 2.941 0.361 -4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 307 1.347 -0.415 -4.436 1.00 0.00 H new ATOM 317 N ARG A 308 4.011 -2.555 -8.474 1.00 0.00 N ATOM 318 CA ARG A 308 4.573 -3.420 -9.551 1.00 0.00 C ATOM 319 C ARG A 308 5.752 -2.723 -10.246 1.00 0.00 C ATOM 320 O ARG A 308 6.551 -3.363 -10.902 1.00 0.00 O ATOM 321 CB ARG A 308 3.482 -3.727 -10.584 1.00 0.00 C ATOM 322 CG ARG A 308 3.899 -4.942 -11.425 1.00 0.00 C ATOM 323 CD ARG A 308 2.943 -5.117 -12.618 1.00 0.00 C ATOM 324 NE ARG A 308 2.779 -6.575 -12.923 1.00 0.00 N ATOM 325 CZ ARG A 308 3.815 -7.361 -13.064 1.00 0.00 C ATOM 326 NH1 ARG A 308 5.020 -6.866 -13.114 1.00 0.00 N ATOM 327 NH2 ARG A 308 3.637 -8.646 -13.209 1.00 0.00 N ATOM 0 H ARG A 308 3.052 -2.242 -8.624 1.00 0.00 H new ATOM 0 HA ARG A 308 4.930 -4.347 -9.102 1.00 0.00 H new ATOM 0 HB2 ARG A 308 2.536 -3.927 -10.081 1.00 0.00 H new ATOM 0 HB3 ARG A 308 3.323 -2.863 -11.229 1.00 0.00 H new ATOM 0 HG2 ARG A 308 4.920 -4.812 -11.784 1.00 0.00 H new ATOM 0 HG3 ARG A 308 3.890 -5.841 -10.808 1.00 0.00 H new ATOM 0 HD2 ARG A 308 1.975 -4.672 -12.389 1.00 0.00 H new ATOM 0 HD3 ARG A 308 3.335 -4.595 -13.491 1.00 0.00 H new ATOM 0 HE ARG A 308 1.841 -6.962 -13.023 1.00 0.00 H new ATOM 0 HH11 ARG A 308 5.161 -5.858 -13.043 1.00 0.00 H new ATOM 0 HH12 ARG A 308 5.822 -7.486 -13.224 1.00 0.00 H new ATOM 0 HH21 ARG A 308 2.693 -9.033 -13.212 1.00 0.00 H new ATOM 0 HH22 ARG A 308 4.442 -9.263 -13.319 1.00 0.00 H new ATOM 341 N GLU A 309 5.872 -1.425 -10.124 1.00 0.00 N ATOM 342 CA GLU A 309 7.008 -0.730 -10.803 1.00 0.00 C ATOM 343 C GLU A 309 8.323 -1.426 -10.449 1.00 0.00 C ATOM 344 O GLU A 309 9.239 -1.462 -11.246 1.00 0.00 O ATOM 345 CB GLU A 309 7.080 0.739 -10.365 1.00 0.00 C ATOM 346 CG GLU A 309 5.959 1.529 -11.040 1.00 0.00 C ATOM 347 CD GLU A 309 5.802 2.885 -10.351 1.00 0.00 C ATOM 348 OE1 GLU A 309 6.541 3.141 -9.412 1.00 0.00 O ATOM 349 OE2 GLU A 309 4.947 3.646 -10.772 1.00 0.00 O ATOM 0 H GLU A 309 5.243 -0.824 -9.592 1.00 0.00 H new ATOM 0 HA GLU A 309 6.845 -0.771 -11.880 1.00 0.00 H new ATOM 0 HB2 GLU A 309 6.988 0.811 -9.281 1.00 0.00 H new ATOM 0 HB3 GLU A 309 8.049 1.162 -10.632 1.00 0.00 H new ATOM 0 HG2 GLU A 309 6.185 1.671 -12.097 1.00 0.00 H new ATOM 0 HG3 GLU A 309 5.024 0.972 -10.986 1.00 0.00 H new ATOM 356 N HIS A 310 8.427 -1.978 -9.260 1.00 0.00 N ATOM 357 CA HIS A 310 9.694 -2.674 -8.860 1.00 0.00 C ATOM 358 C HIS A 310 9.383 -4.058 -8.275 1.00 0.00 C ATOM 359 O HIS A 310 8.407 -4.688 -8.635 1.00 0.00 O ATOM 360 CB HIS A 310 10.445 -1.812 -7.839 1.00 0.00 C ATOM 361 CG HIS A 310 9.703 -1.765 -6.530 1.00 0.00 C ATOM 362 ND1 HIS A 310 10.163 -2.437 -5.409 1.00 0.00 N ATOM 363 CD2 HIS A 310 8.557 -1.112 -6.131 1.00 0.00 C ATOM 364 CE1 HIS A 310 9.311 -2.178 -4.401 1.00 0.00 C ATOM 365 NE2 HIS A 310 8.314 -1.378 -4.786 1.00 0.00 N ATOM 0 H HIS A 310 7.692 -1.976 -8.553 1.00 0.00 H new ATOM 0 HA HIS A 310 10.322 -2.814 -9.740 1.00 0.00 H new ATOM 0 HB2 HIS A 310 11.445 -2.216 -7.681 1.00 0.00 H new ATOM 0 HB3 HIS A 310 10.567 -0.802 -8.229 1.00 0.00 H new ATOM 0 HD2 HIS A 310 7.942 -0.490 -6.764 1.00 0.00 H new ATOM 0 HE1 HIS A 310 9.420 -2.570 -3.401 1.00 0.00 H new ATOM 0 HE2 HIS A 310 7.540 -1.035 -4.217 1.00 0.00 H new ATOM 373 N LYS A 311 10.222 -4.550 -7.399 1.00 0.00 N ATOM 374 CA LYS A 311 10.005 -5.902 -6.815 1.00 0.00 C ATOM 375 C LYS A 311 9.099 -5.830 -5.582 1.00 0.00 C ATOM 376 O LYS A 311 9.554 -5.628 -4.477 1.00 0.00 O ATOM 377 CB LYS A 311 11.379 -6.488 -6.447 1.00 0.00 C ATOM 378 CG LYS A 311 11.219 -7.692 -5.506 1.00 0.00 C ATOM 379 CD LYS A 311 12.420 -8.642 -5.645 1.00 0.00 C ATOM 380 CE LYS A 311 13.724 -7.897 -5.342 1.00 0.00 C ATOM 381 NZ LYS A 311 13.663 -7.313 -3.971 1.00 0.00 N ATOM 0 H LYS A 311 11.054 -4.066 -7.063 1.00 0.00 H new ATOM 0 HA LYS A 311 9.506 -6.543 -7.542 1.00 0.00 H new ATOM 0 HB2 LYS A 311 11.904 -6.794 -7.352 1.00 0.00 H new ATOM 0 HB3 LYS A 311 11.990 -5.723 -5.967 1.00 0.00 H new ATOM 0 HG2 LYS A 311 11.136 -7.348 -4.475 1.00 0.00 H new ATOM 0 HG3 LYS A 311 10.297 -8.224 -5.739 1.00 0.00 H new ATOM 0 HD2 LYS A 311 12.307 -9.484 -4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 311 12.453 -9.052 -6.654 1.00 0.00 H new ATOM 0 HE2 LYS A 311 14.570 -8.579 -5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 311 13.882 -7.108 -6.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 14.621 -7.049 -3.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 13.057 -6.468 -3.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 13.268 -8.014 -3.312 1.00 0.00 H new ATOM 395 N CYS A 312 7.824 -6.035 -5.774 1.00 0.00 N ATOM 396 CA CYS A 312 6.858 -6.028 -4.635 1.00 0.00 C ATOM 397 C CYS A 312 5.469 -6.347 -5.187 1.00 0.00 C ATOM 398 O CYS A 312 4.802 -5.505 -5.754 1.00 0.00 O ATOM 399 CB CYS A 312 6.835 -4.663 -3.933 1.00 0.00 C ATOM 400 SG CYS A 312 8.007 -4.659 -2.553 1.00 0.00 S ATOM 0 H CYS A 312 7.403 -6.210 -6.687 1.00 0.00 H new ATOM 0 HA CYS A 312 7.163 -6.773 -3.900 1.00 0.00 H new ATOM 0 HB2 CYS A 312 7.092 -3.876 -4.642 1.00 0.00 H new ATOM 0 HB3 CYS A 312 5.830 -4.449 -3.569 1.00 0.00 H new ATOM 0 HG CYS A 312 7.830 -5.725 -1.830 1.00 0.00 H new ATOM 406 N GLN A 313 5.039 -7.560 -5.026 1.00 0.00 N ATOM 407 CA GLN A 313 3.698 -7.959 -5.541 1.00 0.00 C ATOM 408 C GLN A 313 2.591 -7.362 -4.643 1.00 0.00 C ATOM 409 O GLN A 313 2.496 -7.709 -3.482 1.00 0.00 O ATOM 410 CB GLN A 313 3.594 -9.491 -5.514 1.00 0.00 C ATOM 411 CG GLN A 313 4.307 -10.086 -6.732 1.00 0.00 C ATOM 412 CD GLN A 313 4.303 -11.613 -6.627 1.00 0.00 C ATOM 413 OE1 GLN A 313 3.456 -12.188 -5.972 1.00 0.00 O ATOM 414 NE2 GLN A 313 5.219 -12.300 -7.252 1.00 0.00 N ATOM 0 H GLN A 313 5.559 -8.302 -4.557 1.00 0.00 H new ATOM 0 HA GLN A 313 3.574 -7.589 -6.559 1.00 0.00 H new ATOM 0 HB2 GLN A 313 4.039 -9.878 -4.597 1.00 0.00 H new ATOM 0 HB3 GLN A 313 2.547 -9.793 -5.512 1.00 0.00 H new ATOM 0 HG2 GLN A 313 3.808 -9.772 -7.649 1.00 0.00 H new ATOM 0 HG3 GLN A 313 5.331 -9.717 -6.784 1.00 0.00 H new ATOM 0 HE21 GLN A 313 5.931 -11.819 -7.802 1.00 0.00 H new ATOM 0 HE22 GLN A 313 5.224 -13.318 -7.191 1.00 0.00 H new ATOM 423 N PRO A 314 1.747 -6.481 -5.159 1.00 0.00 N ATOM 424 CA PRO A 314 0.643 -5.871 -4.358 1.00 0.00 C ATOM 425 C PRO A 314 -0.602 -6.763 -4.310 1.00 0.00 C ATOM 426 O PRO A 314 -0.890 -7.495 -5.235 1.00 0.00 O ATOM 427 CB PRO A 314 0.343 -4.579 -5.113 1.00 0.00 C ATOM 428 CG PRO A 314 0.608 -4.917 -6.546 1.00 0.00 C ATOM 429 CD PRO A 314 1.742 -5.957 -6.543 1.00 0.00 C ATOM 0 HA PRO A 314 0.925 -5.721 -3.316 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -0.689 -4.262 -4.964 1.00 0.00 H new ATOM 0 HB3 PRO A 314 0.980 -3.763 -4.773 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -0.286 -5.319 -7.022 1.00 0.00 H new ATOM 0 HG3 PRO A 314 0.897 -4.029 -7.108 1.00 0.00 H new ATOM 0 HD2 PRO A 314 1.558 -6.749 -7.269 1.00 0.00 H new ATOM 0 HD3 PRO A 314 2.699 -5.504 -6.801 1.00 0.00 H new ATOM 437 N ARG A 315 -1.338 -6.706 -3.234 1.00 0.00 N ATOM 438 CA ARG A 315 -2.566 -7.544 -3.114 1.00 0.00 C ATOM 439 C ARG A 315 -3.594 -6.803 -2.252 1.00 0.00 C ATOM 440 O ARG A 315 -3.316 -6.427 -1.130 1.00 0.00 O ATOM 441 CB ARG A 315 -2.197 -8.877 -2.446 1.00 0.00 C ATOM 442 CG ARG A 315 -1.201 -8.628 -1.283 1.00 0.00 C ATOM 443 CD ARG A 315 0.256 -8.848 -1.740 1.00 0.00 C ATOM 444 NE ARG A 315 0.626 -10.271 -1.481 1.00 0.00 N ATOM 445 CZ ARG A 315 1.714 -10.776 -1.993 1.00 0.00 C ATOM 446 NH1 ARG A 315 2.497 -10.038 -2.728 1.00 0.00 N ATOM 447 NH2 ARG A 315 2.022 -12.024 -1.767 1.00 0.00 N ATOM 0 H ARG A 315 -1.141 -6.112 -2.428 1.00 0.00 H new ATOM 0 HA ARG A 315 -2.989 -7.735 -4.100 1.00 0.00 H new ATOM 0 HB2 ARG A 315 -3.095 -9.365 -2.068 1.00 0.00 H new ATOM 0 HB3 ARG A 315 -1.752 -9.550 -3.179 1.00 0.00 H new ATOM 0 HG2 ARG A 315 -1.319 -7.610 -0.912 1.00 0.00 H new ATOM 0 HG3 ARG A 315 -1.430 -9.298 -0.454 1.00 0.00 H new ATOM 0 HD2 ARG A 315 0.359 -8.617 -2.800 1.00 0.00 H new ATOM 0 HD3 ARG A 315 0.927 -8.179 -1.201 1.00 0.00 H new ATOM 0 HE ARG A 315 0.023 -10.853 -0.899 1.00 0.00 H new ATOM 0 HH11 ARG A 315 2.260 -9.062 -2.905 1.00 0.00 H new ATOM 0 HH12 ARG A 315 3.347 -10.437 -3.127 1.00 0.00 H new ATOM 0 HH21 ARG A 315 1.412 -12.603 -1.190 1.00 0.00 H new ATOM 0 HH22 ARG A 315 2.873 -12.420 -2.167 1.00 0.00 H new ATOM 461 N LEU A 316 -4.784 -6.594 -2.755 1.00 0.00 N ATOM 462 CA LEU A 316 -5.818 -5.889 -1.958 1.00 0.00 C ATOM 463 C LEU A 316 -6.599 -6.928 -1.158 1.00 0.00 C ATOM 464 O LEU A 316 -7.114 -7.889 -1.693 1.00 0.00 O ATOM 465 CB LEU A 316 -6.760 -5.131 -2.906 1.00 0.00 C ATOM 466 CG LEU A 316 -7.291 -3.866 -2.223 1.00 0.00 C ATOM 467 CD1 LEU A 316 -8.183 -3.096 -3.202 1.00 0.00 C ATOM 468 CD2 LEU A 316 -8.100 -4.254 -0.982 1.00 0.00 C ATOM 0 H LEU A 316 -5.080 -6.884 -3.687 1.00 0.00 H new ATOM 0 HA LEU A 316 -5.356 -5.174 -1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 316 -6.230 -4.864 -3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 316 -7.592 -5.774 -3.195 1.00 0.00 H new ATOM 0 HG LEU A 316 -6.454 -3.235 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 316 -8.562 -2.196 -2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 316 -7.603 -2.818 -4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 316 -9.020 -3.725 -3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 316 -8.477 -3.353 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 316 -8.938 -4.885 -1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 316 -7.461 -4.800 -0.287 1.00 0.00 H new ATOM 480 N LEU A 317 -6.677 -6.732 0.120 1.00 0.00 N ATOM 481 CA LEU A 317 -7.407 -7.684 1.009 1.00 0.00 C ATOM 482 C LEU A 317 -8.643 -6.980 1.541 1.00 0.00 C ATOM 483 O LEU A 317 -9.184 -6.150 0.854 1.00 0.00 O ATOM 484 CB LEU A 317 -6.482 -8.091 2.153 1.00 0.00 C ATOM 485 CG LEU A 317 -5.127 -8.495 1.560 1.00 0.00 C ATOM 486 CD1 LEU A 317 -4.189 -8.960 2.669 1.00 0.00 C ATOM 487 CD2 LEU A 317 -5.330 -9.630 0.546 1.00 0.00 C ATOM 0 H LEU A 317 -6.259 -5.937 0.603 1.00 0.00 H new ATOM 0 HA LEU A 317 -7.709 -8.580 0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 317 -6.358 -7.265 2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 317 -6.914 -8.921 2.713 1.00 0.00 H new ATOM 0 HG LEU A 317 -4.685 -7.634 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 317 -3.229 -9.245 2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 317 -4.040 -8.150 3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 317 -4.626 -9.818 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 317 -4.367 -9.918 0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 317 -5.778 -10.489 1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 317 -5.989 -9.291 -0.253 1.00 0.00 H new ATOM 499 N TYR A 318 -9.071 -7.318 2.748 1.00 0.00 N ATOM 500 CA TYR A 318 -10.289 -6.692 3.405 1.00 0.00 C ATOM 501 C TYR A 318 -10.774 -5.454 2.612 1.00 0.00 C ATOM 502 O TYR A 318 -9.961 -4.751 2.068 1.00 0.00 O ATOM 503 CB TYR A 318 -9.874 -6.271 4.834 1.00 0.00 C ATOM 504 CG TYR A 318 -10.969 -6.557 5.839 1.00 0.00 C ATOM 505 CD1 TYR A 318 -11.168 -7.863 6.300 1.00 0.00 C ATOM 506 CD2 TYR A 318 -11.772 -5.514 6.317 1.00 0.00 C ATOM 507 CE1 TYR A 318 -12.174 -8.128 7.236 1.00 0.00 C ATOM 508 CE2 TYR A 318 -12.778 -5.780 7.254 1.00 0.00 C ATOM 509 CZ TYR A 318 -12.980 -7.088 7.713 1.00 0.00 C ATOM 510 OH TYR A 318 -13.970 -7.350 8.638 1.00 0.00 O ATOM 0 H TYR A 318 -8.613 -8.024 3.324 1.00 0.00 H new ATOM 0 HA TYR A 318 -11.111 -7.408 3.427 1.00 0.00 H new ATOM 0 HB2 TYR A 318 -8.967 -6.803 5.122 1.00 0.00 H new ATOM 0 HB3 TYR A 318 -9.637 -5.207 4.846 1.00 0.00 H new ATOM 0 HD1 TYR A 318 -10.546 -8.666 5.934 1.00 0.00 H new ATOM 0 HD2 TYR A 318 -11.616 -4.506 5.963 1.00 0.00 H new ATOM 0 HE1 TYR A 318 -12.329 -9.136 7.591 1.00 0.00 H new ATOM 0 HE2 TYR A 318 -13.398 -4.977 7.623 1.00 0.00 H new ATOM 0 HH TYR A 318 -14.435 -6.518 8.864 1.00 0.00 H new ATOM 520 N PRO A 319 -12.073 -5.194 2.540 1.00 0.00 N ATOM 521 CA PRO A 319 -12.652 -4.050 1.785 1.00 0.00 C ATOM 522 C PRO A 319 -11.659 -2.930 1.453 1.00 0.00 C ATOM 523 O PRO A 319 -11.784 -2.262 0.445 1.00 0.00 O ATOM 524 CB PRO A 319 -13.751 -3.591 2.729 1.00 0.00 C ATOM 525 CG PRO A 319 -14.299 -4.878 3.291 1.00 0.00 C ATOM 526 CD PRO A 319 -13.170 -5.936 3.179 1.00 0.00 C ATOM 0 HA PRO A 319 -12.994 -4.337 0.791 1.00 0.00 H new ATOM 0 HB2 PRO A 319 -13.360 -2.945 3.515 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -14.519 -3.024 2.204 1.00 0.00 H new ATOM 0 HG2 PRO A 319 -14.604 -4.747 4.329 1.00 0.00 H new ATOM 0 HG3 PRO A 319 -15.182 -5.196 2.737 1.00 0.00 H new ATOM 0 HD2 PRO A 319 -12.880 -6.320 4.157 1.00 0.00 H new ATOM 0 HD3 PRO A 319 -13.479 -6.792 2.580 1.00 0.00 H new ATOM 534 N ALA A 320 -10.657 -2.742 2.259 1.00 0.00 N ATOM 535 CA ALA A 320 -9.645 -1.696 1.948 1.00 0.00 C ATOM 536 C ALA A 320 -8.326 -1.996 2.676 1.00 0.00 C ATOM 537 O ALA A 320 -7.714 -1.102 3.226 1.00 0.00 O ATOM 538 CB ALA A 320 -10.175 -0.331 2.385 1.00 0.00 C ATOM 0 H ALA A 320 -10.493 -3.265 3.119 1.00 0.00 H new ATOM 0 HA ALA A 320 -9.459 -1.691 0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -9.435 0.436 2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -11.100 -0.112 1.852 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -10.369 -0.342 3.458 1.00 0.00 H new ATOM 544 N LYS A 321 -7.864 -3.238 2.672 1.00 0.00 N ATOM 545 CA LYS A 321 -6.560 -3.556 3.360 1.00 0.00 C ATOM 546 C LYS A 321 -5.489 -3.804 2.292 1.00 0.00 C ATOM 547 O LYS A 321 -5.673 -4.597 1.391 1.00 0.00 O ATOM 548 CB LYS A 321 -6.734 -4.802 4.253 1.00 0.00 C ATOM 549 CG LYS A 321 -7.202 -4.379 5.662 1.00 0.00 C ATOM 550 CD LYS A 321 -5.995 -3.940 6.522 1.00 0.00 C ATOM 551 CE LYS A 321 -5.420 -5.144 7.277 1.00 0.00 C ATOM 552 NZ LYS A 321 -4.129 -4.760 7.912 1.00 0.00 N ATOM 0 H LYS A 321 -8.327 -4.031 2.229 1.00 0.00 H new ATOM 0 HA LYS A 321 -6.254 -2.722 3.991 1.00 0.00 H new ATOM 0 HB2 LYS A 321 -7.461 -5.480 3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 321 -5.792 -5.345 4.321 1.00 0.00 H new ATOM 0 HG2 LYS A 321 -7.918 -3.561 5.584 1.00 0.00 H new ATOM 0 HG3 LYS A 321 -7.718 -5.209 6.145 1.00 0.00 H new ATOM 0 HD2 LYS A 321 -5.227 -3.499 5.886 1.00 0.00 H new ATOM 0 HD3 LYS A 321 -6.304 -3.171 7.230 1.00 0.00 H new ATOM 0 HE2 LYS A 321 -6.125 -5.481 8.037 1.00 0.00 H new ATOM 0 HE3 LYS A 321 -5.267 -5.978 6.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 -3.557 -5.613 8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 -3.611 -4.114 7.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 -4.316 -4.285 8.818 1.00 0.00 H new ATOM 566 N LEU A 322 -4.380 -3.105 2.374 1.00 0.00 N ATOM 567 CA LEU A 322 -3.297 -3.263 1.348 1.00 0.00 C ATOM 568 C LEU A 322 -2.120 -4.039 1.927 1.00 0.00 C ATOM 569 O LEU A 322 -1.433 -3.581 2.815 1.00 0.00 O ATOM 570 CB LEU A 322 -2.860 -1.851 0.917 1.00 0.00 C ATOM 571 CG LEU A 322 -1.664 -1.837 -0.073 1.00 0.00 C ATOM 572 CD1 LEU A 322 -0.314 -1.885 0.670 1.00 0.00 C ATOM 573 CD2 LEU A 322 -1.757 -3.004 -1.069 1.00 0.00 C ATOM 0 H LEU A 322 -4.178 -2.429 3.111 1.00 0.00 H new ATOM 0 HA LEU A 322 -3.663 -3.825 0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 322 -3.707 -1.344 0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 322 -2.591 -1.278 1.804 1.00 0.00 H new ATOM 0 HG LEU A 322 -1.717 -0.899 -0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 322 0.501 -1.874 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 322 -0.229 -1.018 1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 322 -0.258 -2.797 1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 322 -0.907 -2.970 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 322 -1.748 -3.948 -0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 322 -2.682 -2.923 -1.639 1.00 0.00 H new ATOM 585 N SER A 323 -1.865 -5.204 1.386 1.00 0.00 N ATOM 586 CA SER A 323 -0.710 -6.032 1.841 1.00 0.00 C ATOM 587 C SER A 323 0.386 -5.945 0.776 1.00 0.00 C ATOM 588 O SER A 323 0.108 -5.848 -0.401 1.00 0.00 O ATOM 589 CB SER A 323 -1.157 -7.488 2.003 1.00 0.00 C ATOM 590 OG SER A 323 -0.051 -8.347 1.764 1.00 0.00 O ATOM 0 H SER A 323 -2.418 -5.621 0.637 1.00 0.00 H new ATOM 0 HA SER A 323 -0.336 -5.669 2.798 1.00 0.00 H new ATOM 0 HB2 SER A 323 -1.549 -7.651 3.007 1.00 0.00 H new ATOM 0 HB3 SER A 323 -1.964 -7.713 1.306 1.00 0.00 H new ATOM 0 HG SER A 323 -0.333 -9.280 1.868 1.00 0.00 H new ATOM 596 N ILE A 324 1.628 -5.958 1.177 1.00 0.00 N ATOM 597 CA ILE A 324 2.739 -5.859 0.184 1.00 0.00 C ATOM 598 C ILE A 324 3.929 -6.711 0.633 1.00 0.00 C ATOM 599 O ILE A 324 4.125 -6.975 1.802 1.00 0.00 O ATOM 600 CB ILE A 324 3.184 -4.402 0.021 1.00 0.00 C ATOM 601 CG1 ILE A 324 3.183 -3.685 1.384 1.00 0.00 C ATOM 602 CG2 ILE A 324 2.247 -3.679 -0.951 1.00 0.00 C ATOM 603 CD1 ILE A 324 4.158 -2.506 1.335 1.00 0.00 C ATOM 0 H ILE A 324 1.923 -6.033 2.150 1.00 0.00 H new ATOM 0 HA ILE A 324 2.375 -6.228 -0.775 1.00 0.00 H new ATOM 0 HB ILE A 324 4.198 -4.387 -0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 324 2.179 -3.332 1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 324 3.472 -4.379 2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 324 2.568 -2.643 -1.063 1.00 0.00 H new ATOM 0 HG22 ILE A 324 2.276 -4.175 -1.921 1.00 0.00 H new ATOM 0 HG23 ILE A 324 1.229 -3.703 -0.561 1.00 0.00 H new ATOM 0 HD11 ILE A 324 4.160 -1.996 2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 324 5.161 -2.872 1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 324 3.848 -1.810 0.556 1.00 0.00 H new ATOM 615 N THR A 325 4.708 -7.152 -0.315 1.00 0.00 N ATOM 616 CA THR A 325 5.890 -8.011 -0.007 1.00 0.00 C ATOM 617 C THR A 325 7.147 -7.146 0.155 1.00 0.00 C ATOM 618 O THR A 325 7.726 -6.693 -0.810 1.00 0.00 O ATOM 619 CB THR A 325 6.086 -9.001 -1.167 1.00 0.00 C ATOM 620 OG1 THR A 325 5.056 -9.980 -1.124 1.00 0.00 O ATOM 621 CG2 THR A 325 7.448 -9.692 -1.052 1.00 0.00 C ATOM 0 H THR A 325 4.575 -6.951 -1.306 1.00 0.00 H new ATOM 0 HA THR A 325 5.721 -8.551 0.925 1.00 0.00 H new ATOM 0 HB THR A 325 6.045 -8.457 -2.111 1.00 0.00 H new ATOM 0 HG1 THR A 325 5.175 -10.613 -1.863 1.00 0.00 H new ATOM 0 HG21 THR A 325 7.573 -10.390 -1.880 1.00 0.00 H new ATOM 0 HG22 THR A 325 8.240 -8.944 -1.086 1.00 0.00 H new ATOM 0 HG23 THR A 325 7.502 -10.235 -0.108 1.00 0.00 H new ATOM 629 N ILE A 326 7.575 -6.929 1.375 1.00 0.00 N ATOM 630 CA ILE A 326 8.803 -6.108 1.627 1.00 0.00 C ATOM 631 C ILE A 326 9.947 -7.027 2.067 1.00 0.00 C ATOM 632 O ILE A 326 9.838 -7.729 3.051 1.00 0.00 O ATOM 633 CB ILE A 326 8.516 -5.100 2.750 1.00 0.00 C ATOM 634 CG1 ILE A 326 7.463 -4.070 2.284 1.00 0.00 C ATOM 635 CG2 ILE A 326 9.817 -4.392 3.153 1.00 0.00 C ATOM 636 CD1 ILE A 326 8.118 -2.917 1.504 1.00 0.00 C ATOM 0 H ILE A 326 7.122 -7.289 2.215 1.00 0.00 H new ATOM 0 HA ILE A 326 9.082 -5.581 0.715 1.00 0.00 H new ATOM 0 HB ILE A 326 8.119 -5.630 3.616 1.00 0.00 H new ATOM 0 HG12 ILE A 326 6.722 -4.563 1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 326 6.932 -3.672 3.149 1.00 0.00 H new ATOM 0 HG21 ILE A 326 9.611 -3.677 3.950 1.00 0.00 H new ATOM 0 HG22 ILE A 326 10.539 -5.129 3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 326 10.227 -3.866 2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 326 7.351 -2.209 1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 326 8.841 -2.410 2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 326 8.627 -3.315 0.626 1.00 0.00 H new ATOM 648 N ASP A 327 11.047 -7.010 1.357 1.00 0.00 N ATOM 649 CA ASP A 327 12.218 -7.865 1.734 1.00 0.00 C ATOM 650 C ASP A 327 11.748 -9.235 2.233 1.00 0.00 C ATOM 651 O ASP A 327 12.380 -9.854 3.067 1.00 0.00 O ATOM 652 CB ASP A 327 13.011 -7.167 2.842 1.00 0.00 C ATOM 653 CG ASP A 327 13.501 -5.807 2.339 1.00 0.00 C ATOM 654 OD1 ASP A 327 12.768 -5.174 1.598 1.00 0.00 O ATOM 655 OD2 ASP A 327 14.600 -5.424 2.705 1.00 0.00 O ATOM 0 H ASP A 327 11.187 -6.436 0.525 1.00 0.00 H new ATOM 0 HA ASP A 327 12.846 -8.011 0.855 1.00 0.00 H new ATOM 0 HB2 ASP A 327 12.385 -7.036 3.725 1.00 0.00 H new ATOM 0 HB3 ASP A 327 13.859 -7.783 3.141 1.00 0.00 H new ATOM 660 N GLY A 328 10.644 -9.713 1.729 1.00 0.00 N ATOM 661 CA GLY A 328 10.127 -11.045 2.169 1.00 0.00 C ATOM 662 C GLY A 328 9.096 -10.858 3.286 1.00 0.00 C ATOM 663 O GLY A 328 8.001 -11.380 3.221 1.00 0.00 O ATOM 0 H GLY A 328 10.074 -9.239 1.029 1.00 0.00 H new ATOM 0 HA2 GLY A 328 9.673 -11.566 1.326 1.00 0.00 H new ATOM 0 HA3 GLY A 328 10.950 -11.666 2.522 1.00 0.00 H new ATOM 667 N GLU A 329 9.431 -10.124 4.314 1.00 0.00 N ATOM 668 CA GLU A 329 8.454 -9.924 5.423 1.00 0.00 C ATOM 669 C GLU A 329 7.204 -9.224 4.876 1.00 0.00 C ATOM 670 O GLU A 329 7.285 -8.190 4.243 1.00 0.00 O ATOM 671 CB GLU A 329 9.103 -9.097 6.555 1.00 0.00 C ATOM 672 CG GLU A 329 8.950 -7.593 6.295 1.00 0.00 C ATOM 673 CD GLU A 329 9.845 -6.812 7.258 1.00 0.00 C ATOM 674 OE1 GLU A 329 10.562 -7.445 8.016 1.00 0.00 O ATOM 675 OE2 GLU A 329 9.798 -5.593 7.222 1.00 0.00 O ATOM 0 H GLU A 329 10.331 -9.658 4.433 1.00 0.00 H new ATOM 0 HA GLU A 329 8.161 -10.889 5.837 1.00 0.00 H new ATOM 0 HB2 GLU A 329 8.641 -9.354 7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 329 10.160 -9.350 6.635 1.00 0.00 H new ATOM 0 HG2 GLU A 329 9.220 -7.363 5.264 1.00 0.00 H new ATOM 0 HG3 GLU A 329 7.910 -7.295 6.427 1.00 0.00 H new ATOM 682 N THR A 330 6.053 -9.783 5.116 1.00 0.00 N ATOM 683 CA THR A 330 4.792 -9.162 4.614 1.00 0.00 C ATOM 684 C THR A 330 4.274 -8.139 5.626 1.00 0.00 C ATOM 685 O THR A 330 4.294 -8.363 6.820 1.00 0.00 O ATOM 686 CB THR A 330 3.738 -10.252 4.401 1.00 0.00 C ATOM 687 OG1 THR A 330 2.461 -9.649 4.249 1.00 0.00 O ATOM 688 CG2 THR A 330 3.719 -11.198 5.605 1.00 0.00 C ATOM 0 H THR A 330 5.928 -10.648 5.641 1.00 0.00 H new ATOM 0 HA THR A 330 4.992 -8.657 3.669 1.00 0.00 H new ATOM 0 HB THR A 330 3.983 -10.821 3.504 1.00 0.00 H new ATOM 0 HG1 THR A 330 1.785 -10.345 4.111 1.00 0.00 H new ATOM 0 HG21 THR A 330 2.967 -11.972 5.448 1.00 0.00 H new ATOM 0 HG22 THR A 330 4.699 -11.662 5.719 1.00 0.00 H new ATOM 0 HG23 THR A 330 3.477 -10.635 6.506 1.00 0.00 H new ATOM 696 N LYS A 331 3.795 -7.020 5.148 1.00 0.00 N ATOM 697 CA LYS A 331 3.248 -5.962 6.053 1.00 0.00 C ATOM 698 C LYS A 331 1.914 -5.501 5.463 1.00 0.00 C ATOM 699 O LYS A 331 1.639 -5.729 4.301 1.00 0.00 O ATOM 700 CB LYS A 331 4.250 -4.780 6.126 1.00 0.00 C ATOM 701 CG LYS A 331 4.753 -4.575 7.564 1.00 0.00 C ATOM 702 CD LYS A 331 3.667 -3.888 8.397 1.00 0.00 C ATOM 703 CE LYS A 331 4.069 -3.903 9.874 1.00 0.00 C ATOM 704 NZ LYS A 331 4.346 -5.304 10.303 1.00 0.00 N ATOM 0 H LYS A 331 3.759 -6.790 4.155 1.00 0.00 H new ATOM 0 HA LYS A 331 3.099 -6.343 7.063 1.00 0.00 H new ATOM 0 HB2 LYS A 331 5.095 -4.973 5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 331 3.769 -3.868 5.771 1.00 0.00 H new ATOM 0 HG2 LYS A 331 5.013 -5.535 8.009 1.00 0.00 H new ATOM 0 HG3 LYS A 331 5.659 -3.970 7.560 1.00 0.00 H new ATOM 0 HD2 LYS A 331 3.528 -2.862 8.057 1.00 0.00 H new ATOM 0 HD3 LYS A 331 2.714 -4.399 8.264 1.00 0.00 H new ATOM 0 HE2 LYS A 331 4.953 -3.284 10.027 1.00 0.00 H new ATOM 0 HE3 LYS A 331 3.272 -3.477 10.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 3.996 -5.446 11.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 3.865 -5.965 9.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 5.371 -5.479 10.276 1.00 0.00 H new ATOM 718 N VAL A 332 1.080 -4.864 6.243 1.00 0.00 N ATOM 719 CA VAL A 332 -0.236 -4.408 5.705 1.00 0.00 C ATOM 720 C VAL A 332 -0.621 -3.057 6.307 1.00 0.00 C ATOM 721 O VAL A 332 -0.113 -2.648 7.332 1.00 0.00 O ATOM 722 CB VAL A 332 -1.299 -5.454 6.039 1.00 0.00 C ATOM 723 CG1 VAL A 332 -2.500 -5.282 5.112 1.00 0.00 C ATOM 724 CG2 VAL A 332 -0.716 -6.849 5.832 1.00 0.00 C ATOM 0 H VAL A 332 1.252 -4.641 7.223 1.00 0.00 H new ATOM 0 HA VAL A 332 -0.163 -4.290 4.624 1.00 0.00 H new ATOM 0 HB VAL A 332 -1.613 -5.328 7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 332 -3.256 -6.030 5.353 1.00 0.00 H new ATOM 0 HG12 VAL A 332 -2.921 -4.285 5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 332 -2.182 -5.408 4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 332 -1.472 -7.598 6.069 1.00 0.00 H new ATOM 0 HG22 VAL A 332 -0.406 -6.963 4.793 1.00 0.00 H new ATOM 0 HG23 VAL A 332 0.146 -6.984 6.485 1.00 0.00 H new ATOM 734 N PHE A 333 -1.512 -2.351 5.655 1.00 0.00 N ATOM 735 CA PHE A 333 -1.937 -1.010 6.154 1.00 0.00 C ATOM 736 C PHE A 333 -3.424 -0.802 5.872 1.00 0.00 C ATOM 737 O PHE A 333 -3.925 -1.158 4.824 1.00 0.00 O ATOM 738 CB PHE A 333 -1.099 0.046 5.438 1.00 0.00 C ATOM 739 CG PHE A 333 0.345 -0.379 5.526 1.00 0.00 C ATOM 740 CD1 PHE A 333 0.880 -1.255 4.577 1.00 0.00 C ATOM 741 CD2 PHE A 333 1.138 0.080 6.578 1.00 0.00 C ATOM 742 CE1 PHE A 333 2.213 -1.667 4.681 1.00 0.00 C ATOM 743 CE2 PHE A 333 2.469 -0.333 6.686 1.00 0.00 C ATOM 744 CZ PHE A 333 3.009 -1.207 5.737 1.00 0.00 C ATOM 0 H PHE A 333 -1.965 -2.650 4.792 1.00 0.00 H new ATOM 0 HA PHE A 333 -1.785 -0.933 7.231 1.00 0.00 H new ATOM 0 HB2 PHE A 333 -1.408 0.138 4.397 1.00 0.00 H new ATOM 0 HB3 PHE A 333 -1.239 1.023 5.900 1.00 0.00 H new ATOM 0 HD1 PHE A 333 0.265 -1.613 3.765 1.00 0.00 H new ATOM 0 HD2 PHE A 333 0.723 0.756 7.311 1.00 0.00 H new ATOM 0 HE1 PHE A 333 2.628 -2.341 3.946 1.00 0.00 H new ATOM 0 HE2 PHE A 333 3.080 0.023 7.502 1.00 0.00 H new ATOM 0 HZ PHE A 333 4.037 -1.526 5.819 1.00 0.00 H new ATOM 754 N HIS A 334 -4.141 -0.241 6.815 1.00 0.00 N ATOM 755 CA HIS A 334 -5.610 -0.020 6.629 1.00 0.00 C ATOM 756 C HIS A 334 -5.876 1.438 6.230 1.00 0.00 C ATOM 757 O HIS A 334 -6.509 1.710 5.230 1.00 0.00 O ATOM 758 CB HIS A 334 -6.325 -0.335 7.954 1.00 0.00 C ATOM 759 CG HIS A 334 -7.764 -0.697 7.697 1.00 0.00 C ATOM 760 ND1 HIS A 334 -8.344 -0.575 6.444 1.00 0.00 N ATOM 761 CD2 HIS A 334 -8.747 -1.185 8.521 1.00 0.00 C ATOM 762 CE1 HIS A 334 -9.623 -0.983 6.550 1.00 0.00 C ATOM 763 NE2 HIS A 334 -9.920 -1.365 7.795 1.00 0.00 N ATOM 0 H HIS A 334 -3.770 0.075 7.711 1.00 0.00 H new ATOM 0 HA HIS A 334 -5.984 -0.671 5.839 1.00 0.00 H new ATOM 0 HB2 HIS A 334 -5.821 -1.158 8.461 1.00 0.00 H new ATOM 0 HB3 HIS A 334 -6.273 0.528 8.618 1.00 0.00 H new ATOM 0 HD2 HIS A 334 -8.628 -1.397 9.573 1.00 0.00 H new ATOM 0 HE1 HIS A 334 -10.324 -0.999 5.728 1.00 0.00 H new ATOM 0 HE2 HIS A 334 -10.815 -1.714 8.139 1.00 0.00 H new ATOM 771 N ASP A 335 -5.407 2.376 7.008 1.00 0.00 N ATOM 772 CA ASP A 335 -5.646 3.811 6.674 1.00 0.00 C ATOM 773 C ASP A 335 -4.689 4.249 5.561 1.00 0.00 C ATOM 774 O ASP A 335 -3.589 3.748 5.442 1.00 0.00 O ATOM 775 CB ASP A 335 -5.411 4.669 7.918 1.00 0.00 C ATOM 776 CG ASP A 335 -5.926 6.087 7.664 1.00 0.00 C ATOM 777 OD1 ASP A 335 -7.129 6.246 7.540 1.00 0.00 O ATOM 778 OD2 ASP A 335 -5.107 6.989 7.594 1.00 0.00 O ATOM 0 H ASP A 335 -4.869 2.212 7.859 1.00 0.00 H new ATOM 0 HA ASP A 335 -6.674 3.936 6.334 1.00 0.00 H new ATOM 0 HB2 ASP A 335 -5.923 4.233 8.776 1.00 0.00 H new ATOM 0 HB3 ASP A 335 -4.349 4.694 8.160 1.00 0.00 H new ATOM 783 N LYS A 336 -5.105 5.180 4.747 1.00 0.00 N ATOM 784 CA LYS A 336 -4.229 5.654 3.636 1.00 0.00 C ATOM 785 C LYS A 336 -3.020 6.390 4.209 1.00 0.00 C ATOM 786 O LYS A 336 -1.931 6.313 3.678 1.00 0.00 O ATOM 787 CB LYS A 336 -5.021 6.596 2.717 1.00 0.00 C ATOM 788 CG LYS A 336 -5.894 7.532 3.558 1.00 0.00 C ATOM 789 CD LYS A 336 -6.482 8.629 2.666 1.00 0.00 C ATOM 790 CE LYS A 336 -7.639 9.316 3.396 1.00 0.00 C ATOM 791 NZ LYS A 336 -8.271 10.320 2.492 1.00 0.00 N ATOM 0 H LYS A 336 -6.016 5.635 4.803 1.00 0.00 H new ATOM 0 HA LYS A 336 -3.885 4.795 3.060 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -4.336 7.179 2.102 1.00 0.00 H new ATOM 0 HB3 LYS A 336 -5.645 6.016 2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -6.696 6.968 4.033 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -5.301 7.978 4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -5.713 9.359 2.414 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -6.834 8.200 1.728 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -8.377 8.577 3.708 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -7.274 9.804 4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -9.057 10.787 2.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -7.565 11.031 2.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -8.633 9.843 1.642 1.00 0.00 H new ATOM 805 N THR A 337 -3.195 7.099 5.286 1.00 0.00 N ATOM 806 CA THR A 337 -2.050 7.834 5.884 1.00 0.00 C ATOM 807 C THR A 337 -1.014 6.833 6.381 1.00 0.00 C ATOM 808 O THR A 337 0.144 6.889 6.019 1.00 0.00 O ATOM 809 CB THR A 337 -2.533 8.672 7.068 1.00 0.00 C ATOM 810 OG1 THR A 337 -3.501 9.610 6.621 1.00 0.00 O ATOM 811 CG2 THR A 337 -1.340 9.410 7.680 1.00 0.00 C ATOM 0 H THR A 337 -4.082 7.201 5.778 1.00 0.00 H new ATOM 0 HA THR A 337 -1.611 8.486 5.129 1.00 0.00 H new ATOM 0 HB THR A 337 -2.984 8.024 7.819 1.00 0.00 H new ATOM 0 HG1 THR A 337 -3.812 10.146 7.380 1.00 0.00 H new ATOM 0 HG21 THR A 337 -1.678 10.010 8.525 1.00 0.00 H new ATOM 0 HG22 THR A 337 -0.600 8.686 8.021 1.00 0.00 H new ATOM 0 HG23 THR A 337 -0.891 10.061 6.930 1.00 0.00 H new ATOM 819 N LYS A 338 -1.424 5.920 7.218 1.00 0.00 N ATOM 820 CA LYS A 338 -0.474 4.914 7.760 1.00 0.00 C ATOM 821 C LYS A 338 0.413 4.370 6.635 1.00 0.00 C ATOM 822 O LYS A 338 1.588 4.131 6.827 1.00 0.00 O ATOM 823 CB LYS A 338 -1.284 3.778 8.405 1.00 0.00 C ATOM 824 CG LYS A 338 -0.470 3.074 9.502 1.00 0.00 C ATOM 825 CD LYS A 338 -1.426 2.318 10.422 1.00 0.00 C ATOM 826 CE LYS A 338 -0.623 1.500 11.434 1.00 0.00 C ATOM 827 NZ LYS A 338 0.073 0.388 10.729 1.00 0.00 N ATOM 0 H LYS A 338 -2.384 5.829 7.551 1.00 0.00 H new ATOM 0 HA LYS A 338 0.173 5.373 8.508 1.00 0.00 H new ATOM 0 HB2 LYS A 338 -2.204 4.179 8.831 1.00 0.00 H new ATOM 0 HB3 LYS A 338 -1.574 3.055 7.642 1.00 0.00 H new ATOM 0 HG2 LYS A 338 0.247 2.385 9.055 1.00 0.00 H new ATOM 0 HG3 LYS A 338 0.103 3.804 10.073 1.00 0.00 H new ATOM 0 HD2 LYS A 338 -2.078 3.020 10.942 1.00 0.00 H new ATOM 0 HD3 LYS A 338 -2.068 1.661 9.835 1.00 0.00 H new ATOM 0 HE2 LYS A 338 0.104 2.137 11.939 1.00 0.00 H new ATOM 0 HE3 LYS A 338 -1.285 1.101 12.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 338 0.346 -0.342 11.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 338 -0.565 -0.026 10.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 338 0.924 0.755 10.257 1.00 0.00 H new ATOM 841 N PHE A 339 -0.128 4.181 5.460 1.00 0.00 N ATOM 842 CA PHE A 339 0.719 3.665 4.350 1.00 0.00 C ATOM 843 C PHE A 339 1.821 4.680 4.040 1.00 0.00 C ATOM 844 O PHE A 339 2.992 4.380 4.129 1.00 0.00 O ATOM 845 CB PHE A 339 -0.119 3.429 3.095 1.00 0.00 C ATOM 846 CG PHE A 339 0.780 2.847 2.032 1.00 0.00 C ATOM 847 CD1 PHE A 339 1.061 1.476 2.026 1.00 0.00 C ATOM 848 CD2 PHE A 339 1.350 3.683 1.066 1.00 0.00 C ATOM 849 CE1 PHE A 339 1.911 0.938 1.051 1.00 0.00 C ATOM 850 CE2 PHE A 339 2.203 3.148 0.093 1.00 0.00 C ATOM 851 CZ PHE A 339 2.485 1.773 0.086 1.00 0.00 C ATOM 0 H PHE A 339 -1.104 4.359 5.225 1.00 0.00 H new ATOM 0 HA PHE A 339 1.159 2.717 4.659 1.00 0.00 H new ATOM 0 HB2 PHE A 339 -0.943 2.749 3.310 1.00 0.00 H new ATOM 0 HB3 PHE A 339 -0.559 4.365 2.750 1.00 0.00 H new ATOM 0 HD1 PHE A 339 0.622 0.832 2.774 1.00 0.00 H new ATOM 0 HD2 PHE A 339 1.132 4.741 1.071 1.00 0.00 H new ATOM 0 HE1 PHE A 339 2.123 -0.121 1.044 1.00 0.00 H new ATOM 0 HE2 PHE A 339 2.644 3.793 -0.652 1.00 0.00 H new ATOM 0 HZ PHE A 339 3.144 1.360 -0.663 1.00 0.00 H new ATOM 861 N THR A 340 1.464 5.884 3.672 1.00 0.00 N ATOM 862 CA THR A 340 2.519 6.902 3.361 1.00 0.00 C ATOM 863 C THR A 340 3.571 6.901 4.473 1.00 0.00 C ATOM 864 O THR A 340 4.758 6.830 4.223 1.00 0.00 O ATOM 865 CB THR A 340 1.899 8.300 3.267 1.00 0.00 C ATOM 866 OG1 THR A 340 1.849 8.880 4.563 1.00 0.00 O ATOM 867 CG2 THR A 340 0.487 8.202 2.699 1.00 0.00 C ATOM 0 H THR A 340 0.501 6.206 3.574 1.00 0.00 H new ATOM 0 HA THR A 340 2.980 6.648 2.407 1.00 0.00 H new ATOM 0 HB THR A 340 2.507 8.921 2.610 1.00 0.00 H new ATOM 0 HG1 THR A 340 1.196 8.398 5.112 1.00 0.00 H new ATOM 0 HG21 THR A 340 0.051 9.199 2.634 1.00 0.00 H new ATOM 0 HG22 THR A 340 0.525 7.757 1.705 1.00 0.00 H new ATOM 0 HG23 THR A 340 -0.125 7.580 3.352 1.00 0.00 H new ATOM 875 N GLN A 341 3.138 6.976 5.699 1.00 0.00 N ATOM 876 CA GLN A 341 4.098 6.976 6.837 1.00 0.00 C ATOM 877 C GLN A 341 5.029 5.773 6.716 1.00 0.00 C ATOM 878 O GLN A 341 6.227 5.900 6.844 1.00 0.00 O ATOM 879 CB GLN A 341 3.323 6.908 8.153 1.00 0.00 C ATOM 880 CG GLN A 341 2.356 8.093 8.230 1.00 0.00 C ATOM 881 CD GLN A 341 1.631 8.077 9.577 1.00 0.00 C ATOM 882 OE1 GLN A 341 1.392 7.027 10.141 1.00 0.00 O ATOM 883 NE2 GLN A 341 1.270 9.206 10.124 1.00 0.00 N ATOM 0 H GLN A 341 2.155 7.038 5.964 1.00 0.00 H new ATOM 0 HA GLN A 341 4.692 7.890 6.818 1.00 0.00 H new ATOM 0 HB2 GLN A 341 2.773 5.969 8.217 1.00 0.00 H new ATOM 0 HB3 GLN A 341 4.013 6.931 8.997 1.00 0.00 H new ATOM 0 HG2 GLN A 341 2.902 9.029 8.110 1.00 0.00 H new ATOM 0 HG3 GLN A 341 1.633 8.039 7.416 1.00 0.00 H new ATOM 0 HE21 GLN A 341 1.470 10.088 9.652 1.00 0.00 H new ATOM 0 HE22 GLN A 341 0.788 9.206 11.023 1.00 0.00 H new ATOM 892 N TYR A 342 4.494 4.607 6.459 1.00 0.00 N ATOM 893 CA TYR A 342 5.373 3.402 6.326 1.00 0.00 C ATOM 894 C TYR A 342 6.540 3.740 5.393 1.00 0.00 C ATOM 895 O TYR A 342 7.661 3.318 5.597 1.00 0.00 O ATOM 896 CB TYR A 342 4.573 2.226 5.758 1.00 0.00 C ATOM 897 CG TYR A 342 5.486 1.037 5.545 1.00 0.00 C ATOM 898 CD1 TYR A 342 6.179 0.474 6.625 1.00 0.00 C ATOM 899 CD2 TYR A 342 5.637 0.498 4.264 1.00 0.00 C ATOM 900 CE1 TYR A 342 7.023 -0.625 6.420 1.00 0.00 C ATOM 901 CE2 TYR A 342 6.479 -0.601 4.058 1.00 0.00 C ATOM 902 CZ TYR A 342 7.174 -1.162 5.136 1.00 0.00 C ATOM 903 OH TYR A 342 8.005 -2.245 4.935 1.00 0.00 O ATOM 0 H TYR A 342 3.496 4.436 6.336 1.00 0.00 H new ATOM 0 HA TYR A 342 5.755 3.119 7.307 1.00 0.00 H new ATOM 0 HB2 TYR A 342 3.767 1.959 6.442 1.00 0.00 H new ATOM 0 HB3 TYR A 342 4.109 2.513 4.814 1.00 0.00 H new ATOM 0 HD1 TYR A 342 6.062 0.888 7.616 1.00 0.00 H new ATOM 0 HD2 TYR A 342 5.103 0.931 3.431 1.00 0.00 H new ATOM 0 HE1 TYR A 342 7.557 -1.058 7.253 1.00 0.00 H new ATOM 0 HE2 TYR A 342 6.593 -1.016 3.067 1.00 0.00 H new ATOM 0 HH TYR A 342 7.541 -3.067 5.198 1.00 0.00 H new ATOM 913 N LEU A 343 6.287 4.513 4.376 1.00 0.00 N ATOM 914 CA LEU A 343 7.388 4.904 3.449 1.00 0.00 C ATOM 915 C LEU A 343 8.211 6.020 4.081 1.00 0.00 C ATOM 916 O LEU A 343 9.427 5.972 4.101 1.00 0.00 O ATOM 917 CB LEU A 343 6.816 5.411 2.124 1.00 0.00 C ATOM 918 CG LEU A 343 5.821 4.402 1.537 1.00 0.00 C ATOM 919 CD1 LEU A 343 5.556 4.760 0.078 1.00 0.00 C ATOM 920 CD2 LEU A 343 6.399 2.987 1.601 1.00 0.00 C ATOM 0 H LEU A 343 5.368 4.891 4.145 1.00 0.00 H new ATOM 0 HA LEU A 343 8.012 4.030 3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 343 6.320 6.369 2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 343 7.626 5.583 1.416 1.00 0.00 H new ATOM 0 HG LEU A 343 4.897 4.437 2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 343 4.849 4.048 -0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 343 5.138 5.765 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 343 6.491 4.723 -0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 343 5.682 2.282 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 343 7.326 2.946 1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 343 6.602 2.723 2.639 1.00 0.00 H new ATOM 932 N SER A 344 7.564 7.026 4.597 1.00 0.00 N ATOM 933 CA SER A 344 8.315 8.144 5.226 1.00 0.00 C ATOM 934 C SER A 344 9.360 7.565 6.179 1.00 0.00 C ATOM 935 O SER A 344 10.386 8.167 6.430 1.00 0.00 O ATOM 936 CB SER A 344 7.343 9.040 6.003 1.00 0.00 C ATOM 937 OG SER A 344 7.280 8.609 7.358 1.00 0.00 O ATOM 0 H SER A 344 6.549 7.122 4.610 1.00 0.00 H new ATOM 0 HA SER A 344 8.810 8.738 4.458 1.00 0.00 H new ATOM 0 HB2 SER A 344 7.672 10.078 5.955 1.00 0.00 H new ATOM 0 HB3 SER A 344 6.352 8.998 5.550 1.00 0.00 H new ATOM 0 HG SER A 344 6.937 7.692 7.394 1.00 0.00 H new ATOM 943 N THR A 345 9.108 6.387 6.703 1.00 0.00 N ATOM 944 CA THR A 345 10.088 5.747 7.633 1.00 0.00 C ATOM 945 C THR A 345 10.917 4.708 6.867 1.00 0.00 C ATOM 946 O THR A 345 11.794 4.076 7.423 1.00 0.00 O ATOM 947 CB THR A 345 9.345 5.097 8.809 1.00 0.00 C ATOM 948 OG1 THR A 345 10.290 4.603 9.748 1.00 0.00 O ATOM 949 CG2 THR A 345 8.465 3.948 8.323 1.00 0.00 C ATOM 0 H THR A 345 8.264 5.843 6.525 1.00 0.00 H new ATOM 0 HA THR A 345 10.762 6.504 8.033 1.00 0.00 H new ATOM 0 HB THR A 345 8.710 5.848 9.279 1.00 0.00 H new ATOM 0 HG1 THR A 345 11.118 4.362 9.283 1.00 0.00 H new ATOM 0 HG21 THR A 345 7.948 3.502 9.172 1.00 0.00 H new ATOM 0 HG22 THR A 345 7.733 4.327 7.610 1.00 0.00 H new ATOM 0 HG23 THR A 345 9.086 3.194 7.839 1.00 0.00 H new ATOM 957 N ASN A 346 10.660 4.539 5.586 1.00 0.00 N ATOM 958 CA ASN A 346 11.444 3.556 4.767 1.00 0.00 C ATOM 959 C ASN A 346 11.887 4.261 3.477 1.00 0.00 C ATOM 960 O ASN A 346 11.316 4.059 2.422 1.00 0.00 O ATOM 961 CB ASN A 346 10.566 2.337 4.433 1.00 0.00 C ATOM 962 CG ASN A 346 11.180 1.536 3.280 1.00 0.00 C ATOM 963 OD1 ASN A 346 10.577 1.521 2.121 1.00 0.00 O flip ATOM 964 ND2 ASN A 346 12.217 0.921 3.434 1.00 0.00 N flip ATOM 0 H ASN A 346 9.937 5.043 5.072 1.00 0.00 H new ATOM 0 HA ASN A 346 12.315 3.207 5.321 1.00 0.00 H new ATOM 0 HB2 ASN A 346 10.465 1.701 5.313 1.00 0.00 H new ATOM 0 HB3 ASN A 346 9.563 2.667 4.162 1.00 0.00 H new ATOM 0 HD21 ASN A 346 12.687 0.933 4.339 1.00 0.00 H new ATOM 0 HD22 ASN A 346 12.617 0.393 2.658 1.00 0.00 H new ATOM 971 N PRO A 347 12.893 5.094 3.572 1.00 0.00 N ATOM 972 CA PRO A 347 13.428 5.866 2.410 1.00 0.00 C ATOM 973 C PRO A 347 13.672 4.990 1.174 1.00 0.00 C ATOM 974 O PRO A 347 13.572 5.445 0.050 1.00 0.00 O ATOM 975 CB PRO A 347 14.750 6.440 2.936 1.00 0.00 C ATOM 976 CG PRO A 347 14.550 6.560 4.412 1.00 0.00 C ATOM 977 CD PRO A 347 13.641 5.393 4.806 1.00 0.00 C ATOM 0 HA PRO A 347 12.722 6.626 2.074 1.00 0.00 H new ATOM 0 HB2 PRO A 347 15.588 5.783 2.702 1.00 0.00 H new ATOM 0 HB3 PRO A 347 14.968 7.408 2.486 1.00 0.00 H new ATOM 0 HG2 PRO A 347 15.502 6.510 4.941 1.00 0.00 H new ATOM 0 HG3 PRO A 347 14.093 7.516 4.668 1.00 0.00 H new ATOM 0 HD2 PRO A 347 14.219 4.532 5.141 1.00 0.00 H new ATOM 0 HD3 PRO A 347 12.972 5.665 5.622 1.00 0.00 H new ATOM 985 N ALA A 348 14.000 3.745 1.371 1.00 0.00 N ATOM 986 CA ALA A 348 14.262 2.849 0.210 1.00 0.00 C ATOM 987 C ALA A 348 13.125 2.971 -0.807 1.00 0.00 C ATOM 988 O ALA A 348 13.349 3.195 -1.981 1.00 0.00 O ATOM 989 CB ALA A 348 14.359 1.401 0.696 1.00 0.00 C ATOM 0 H ALA A 348 14.098 3.308 2.287 1.00 0.00 H new ATOM 0 HA ALA A 348 15.200 3.139 -0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 348 14.551 0.744 -0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 348 15.174 1.312 1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 348 13.422 1.114 1.173 1.00 0.00 H new ATOM 995 N LEU A 349 11.906 2.819 -0.379 1.00 0.00 N ATOM 996 CA LEU A 349 10.778 2.919 -1.346 1.00 0.00 C ATOM 997 C LEU A 349 10.562 4.384 -1.750 1.00 0.00 C ATOM 998 O LEU A 349 10.281 4.680 -2.888 1.00 0.00 O ATOM 999 CB LEU A 349 9.492 2.375 -0.706 1.00 0.00 C ATOM 1000 CG LEU A 349 9.438 0.838 -0.793 1.00 0.00 C ATOM 1001 CD1 LEU A 349 8.166 0.338 -0.082 1.00 0.00 C ATOM 1002 CD2 LEU A 349 9.425 0.369 -2.268 1.00 0.00 C ATOM 0 H LEU A 349 11.641 2.632 0.588 1.00 0.00 H new ATOM 0 HA LEU A 349 11.021 2.331 -2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 349 9.442 2.685 0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 349 8.623 2.802 -1.208 1.00 0.00 H new ATOM 0 HG LEU A 349 10.325 0.427 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 349 8.121 -0.750 -0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 349 8.189 0.646 0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 349 7.287 0.764 -0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 349 9.387 -0.720 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 349 8.550 0.779 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 349 10.329 0.717 -2.768 1.00 0.00 H new ATOM 1014 N GLN A 350 10.667 5.301 -0.826 1.00 0.00 N ATOM 1015 CA GLN A 350 10.437 6.739 -1.171 1.00 0.00 C ATOM 1016 C GLN A 350 11.119 7.094 -2.498 1.00 0.00 C ATOM 1017 O GLN A 350 10.578 7.838 -3.292 1.00 0.00 O ATOM 1018 CB GLN A 350 10.984 7.632 -0.058 1.00 0.00 C ATOM 1019 CG GLN A 350 10.166 7.415 1.222 1.00 0.00 C ATOM 1020 CD GLN A 350 8.832 8.162 1.118 1.00 0.00 C ATOM 1021 OE1 GLN A 350 8.073 8.205 2.065 1.00 0.00 O ATOM 1022 NE2 GLN A 350 8.513 8.755 0.000 1.00 0.00 N ATOM 0 H GLN A 350 10.901 5.120 0.150 1.00 0.00 H new ATOM 0 HA GLN A 350 9.364 6.902 -1.276 1.00 0.00 H new ATOM 0 HB2 GLN A 350 12.033 7.401 0.125 1.00 0.00 H new ATOM 0 HB3 GLN A 350 10.936 8.678 -0.360 1.00 0.00 H new ATOM 0 HG2 GLN A 350 9.986 6.351 1.374 1.00 0.00 H new ATOM 0 HG3 GLN A 350 10.726 7.770 2.087 1.00 0.00 H new ATOM 0 HE21 GLN A 350 9.150 8.719 -0.796 1.00 0.00 H new ATOM 0 HE22 GLN A 350 7.627 9.254 -0.078 1.00 0.00 H new ATOM 1031 N ARG A 351 12.292 6.575 -2.759 1.00 0.00 N ATOM 1032 CA ARG A 351 12.963 6.907 -4.051 1.00 0.00 C ATOM 1033 C ARG A 351 12.368 6.040 -5.168 1.00 0.00 C ATOM 1034 O ARG A 351 12.190 6.497 -6.280 1.00 0.00 O ATOM 1035 CB ARG A 351 14.477 6.694 -3.948 1.00 0.00 C ATOM 1036 CG ARG A 351 14.774 5.355 -3.279 1.00 0.00 C ATOM 1037 CD ARG A 351 16.210 4.904 -3.605 1.00 0.00 C ATOM 1038 NE ARG A 351 16.730 4.053 -2.498 1.00 0.00 N ATOM 1039 CZ ARG A 351 17.794 3.320 -2.686 1.00 0.00 C ATOM 1040 NH1 ARG A 351 18.387 3.316 -3.848 1.00 0.00 N ATOM 1041 NH2 ARG A 351 18.266 2.590 -1.712 1.00 0.00 N ATOM 0 H ARG A 351 12.807 5.945 -2.144 1.00 0.00 H new ATOM 0 HA ARG A 351 12.792 7.958 -4.283 1.00 0.00 H new ATOM 0 HB2 ARG A 351 14.924 6.720 -4.942 1.00 0.00 H new ATOM 0 HB3 ARG A 351 14.928 7.504 -3.374 1.00 0.00 H new ATOM 0 HG2 ARG A 351 14.649 5.444 -2.200 1.00 0.00 H new ATOM 0 HG3 ARG A 351 14.063 4.604 -3.621 1.00 0.00 H new ATOM 0 HD2 ARG A 351 16.223 4.347 -4.542 1.00 0.00 H new ATOM 0 HD3 ARG A 351 16.853 5.774 -3.742 1.00 0.00 H new ATOM 0 HE ARG A 351 16.256 4.043 -1.595 1.00 0.00 H new ATOM 0 HH11 ARG A 351 18.019 3.886 -4.610 1.00 0.00 H new ATOM 0 HH12 ARG A 351 19.218 2.743 -3.994 1.00 0.00 H new ATOM 0 HH21 ARG A 351 17.803 2.592 -0.803 1.00 0.00 H new ATOM 0 HH22 ARG A 351 19.097 2.018 -1.860 1.00 0.00 H new ATOM 1055 N ILE A 352 12.027 4.805 -4.889 1.00 0.00 N ATOM 1056 CA ILE A 352 11.411 3.961 -5.960 1.00 0.00 C ATOM 1057 C ILE A 352 9.944 4.374 -6.107 1.00 0.00 C ATOM 1058 O ILE A 352 9.507 4.821 -7.149 1.00 0.00 O ATOM 1059 CB ILE A 352 11.471 2.480 -5.568 1.00 0.00 C ATOM 1060 CG1 ILE A 352 12.901 2.111 -5.159 1.00 0.00 C ATOM 1061 CG2 ILE A 352 11.040 1.617 -6.757 1.00 0.00 C ATOM 1062 CD1 ILE A 352 13.010 0.596 -4.958 1.00 0.00 C ATOM 0 H ILE A 352 12.146 4.351 -3.983 1.00 0.00 H new ATOM 0 HA ILE A 352 11.953 4.102 -6.895 1.00 0.00 H new ATOM 0 HB ILE A 352 10.799 2.303 -4.728 1.00 0.00 H new ATOM 0 HG12 ILE A 352 13.604 2.437 -5.926 1.00 0.00 H new ATOM 0 HG13 ILE A 352 13.171 2.629 -4.239 1.00 0.00 H new ATOM 0 HG21 ILE A 352 11.083 0.564 -6.477 1.00 0.00 H new ATOM 0 HG22 ILE A 352 10.020 1.875 -7.043 1.00 0.00 H new ATOM 0 HG23 ILE A 352 11.709 1.796 -7.598 1.00 0.00 H new ATOM 0 HD11 ILE A 352 14.029 0.340 -4.667 1.00 0.00 H new ATOM 0 HD12 ILE A 352 12.320 0.282 -4.175 1.00 0.00 H new ATOM 0 HD13 ILE A 352 12.759 0.087 -5.888 1.00 0.00 H new ATOM 1074 N ILE A 353 9.193 4.233 -5.053 1.00 0.00 N ATOM 1075 CA ILE A 353 7.757 4.616 -5.074 1.00 0.00 C ATOM 1076 C ILE A 353 7.646 6.141 -4.954 1.00 0.00 C ATOM 1077 O ILE A 353 6.590 6.714 -5.137 1.00 0.00 O ATOM 1078 CB ILE A 353 7.064 3.925 -3.886 1.00 0.00 C ATOM 1079 CG1 ILE A 353 6.788 2.457 -4.253 1.00 0.00 C ATOM 1080 CG2 ILE A 353 5.744 4.622 -3.531 1.00 0.00 C ATOM 1081 CD1 ILE A 353 6.271 1.675 -3.033 1.00 0.00 C ATOM 0 H ILE A 353 9.521 3.861 -4.161 1.00 0.00 H new ATOM 0 HA ILE A 353 7.280 4.306 -6.004 1.00 0.00 H new ATOM 0 HB ILE A 353 7.721 3.982 -3.018 1.00 0.00 H new ATOM 0 HG12 ILE A 353 6.054 2.411 -5.058 1.00 0.00 H new ATOM 0 HG13 ILE A 353 7.701 1.993 -4.627 1.00 0.00 H new ATOM 0 HG21 ILE A 353 5.278 4.111 -2.688 1.00 0.00 H new ATOM 0 HG22 ILE A 353 5.941 5.660 -3.262 1.00 0.00 H new ATOM 0 HG23 ILE A 353 5.074 4.591 -4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 353 6.083 0.640 -3.317 1.00 0.00 H new ATOM 0 HD12 ILE A 353 7.018 1.703 -2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 353 5.345 2.127 -2.677 1.00 0.00 H new TER 1093 ILE A 353