USER MOD reduce.3.24.130724 H: found=0, std=0, add=331, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 333 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 Single : A 290 SER OG : rot 180:sc= 0.0896 USER MOD Single : A 291 THR OG1 : rot -160:sc= -0.104 USER MOD Single : A 293 SER OG : rot 180:sc= 0 USER MOD Single : A 297 TYR OH : rot 180:sc= 0 USER MOD Single : A 301 HIS :FLIP no HE2:sc= -5.87! C(o=-11!,f=-5.9!) USER MOD Single : A 302 ASN : amide:sc= -1.88! X(o=-1.9!,f=-1.8) USER MOD Single : A 303 ASN : amide:sc= 0.0812 X(o=0.081,f=0) USER MOD Single : A 305 THR OG1 : rot -75:sc= 1.33 USER MOD Single : A 306 THR OG1 : rot 180:sc= 0 USER MOD Single : A 307 GLN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot 180:sc= 0.00201 USER MOD Single : B 227 TYR OH : rot 180:sc= 0.61 USER MOD ----------------------------------------------------------------- ATOM 43 N LEU A 282 -9.755 6.268 4.181 1.00 15.00 N ATOM 44 CA LEU A 282 -8.360 5.869 4.266 1.00 15.00 C ATOM 45 C LEU A 282 -7.819 6.198 5.655 1.00 15.00 C ATOM 46 O LEU A 282 -7.703 7.368 6.019 1.00 15.00 O ATOM 47 CB LEU A 282 -7.521 6.576 3.197 1.00 15.00 C ATOM 48 CG LEU A 282 -6.055 6.134 3.130 1.00 15.00 C ATOM 49 CD1 LEU A 282 -5.947 4.703 2.635 1.00 15.00 C ATOM 50 CD2 LEU A 282 -5.251 7.066 2.240 1.00 15.00 C ATOM 0 HA LEU A 282 -8.295 4.795 4.093 1.00 15.00 H new ATOM 0 HB2 LEU A 282 -7.981 6.406 2.224 1.00 15.00 H new ATOM 0 HB3 LEU A 282 -7.553 7.650 3.382 1.00 15.00 H new ATOM 0 HG LEU A 282 -5.642 6.181 4.138 1.00 15.00 H new ATOM 0 HD11 LEU A 282 -4.898 4.410 2.595 1.00 15.00 H new ATOM 0 HD12 LEU A 282 -6.483 4.041 3.315 1.00 15.00 H new ATOM 0 HD13 LEU A 282 -6.382 4.629 1.639 1.00 15.00 H new ATOM 0 HD21 LEU A 282 -4.214 6.733 2.207 1.00 15.00 H new ATOM 0 HD22 LEU A 282 -5.667 7.056 1.233 1.00 15.00 H new ATOM 0 HD23 LEU A 282 -5.294 8.079 2.640 1.00 15.00 H new ATOM 62 N PRO A 283 -7.520 5.172 6.461 1.00 15.00 N ATOM 63 CA PRO A 283 -7.027 5.357 7.832 1.00 15.00 C ATOM 64 C PRO A 283 -5.634 5.987 7.871 1.00 15.00 C ATOM 65 O PRO A 283 -4.721 5.538 7.176 1.00 15.00 O ATOM 66 CB PRO A 283 -6.981 3.929 8.400 1.00 15.00 C ATOM 67 CG PRO A 283 -7.789 3.100 7.458 1.00 15.00 C ATOM 68 CD PRO A 283 -7.645 3.750 6.116 1.00 15.00 C ATOM 0 HA PRO A 283 -7.665 6.035 8.400 1.00 15.00 H new ATOM 0 HB2 PRO A 283 -5.956 3.565 8.463 1.00 15.00 H new ATOM 0 HB3 PRO A 283 -7.395 3.894 9.408 1.00 15.00 H new ATOM 0 HG2 PRO A 283 -7.429 2.071 7.435 1.00 15.00 H new ATOM 0 HG3 PRO A 283 -8.834 3.065 7.766 1.00 15.00 H new ATOM 0 HD2 PRO A 283 -6.769 3.384 5.580 1.00 15.00 H new ATOM 0 HD3 PRO A 283 -8.510 3.562 5.479 1.00 15.00 H new ATOM 76 N PRO A 284 -5.460 7.049 8.681 1.00 15.00 N ATOM 77 CA PRO A 284 -4.155 7.693 8.874 1.00 15.00 C ATOM 78 C PRO A 284 -3.088 6.688 9.298 1.00 15.00 C ATOM 79 O PRO A 284 -3.264 5.954 10.275 1.00 15.00 O ATOM 80 CB PRO A 284 -4.417 8.704 9.993 1.00 15.00 C ATOM 81 CG PRO A 284 -5.878 8.985 9.918 1.00 15.00 C ATOM 82 CD PRO A 284 -6.524 7.705 9.462 1.00 15.00 C ATOM 0 HA PRO A 284 -3.778 8.149 7.958 1.00 15.00 H new ATOM 0 HB2 PRO A 284 -4.142 8.297 10.966 1.00 15.00 H new ATOM 0 HB3 PRO A 284 -3.832 9.612 9.850 1.00 15.00 H new ATOM 0 HG2 PRO A 284 -6.266 9.294 10.889 1.00 15.00 H new ATOM 0 HG3 PRO A 284 -6.084 9.796 9.220 1.00 15.00 H new ATOM 0 HD2 PRO A 284 -6.841 7.091 10.305 1.00 15.00 H new ATOM 0 HD3 PRO A 284 -7.410 7.895 8.856 1.00 15.00 H new ATOM 90 N GLY A 285 -1.987 6.658 8.564 1.00 15.00 N ATOM 91 CA GLY A 285 -0.961 5.663 8.805 1.00 15.00 C ATOM 92 C GLY A 285 -0.844 4.709 7.639 1.00 15.00 C ATOM 93 O GLY A 285 0.068 3.879 7.581 1.00 15.00 O ATOM 0 H GLY A 285 -1.784 7.306 7.803 1.00 15.00 H new ATOM 0 HA2 GLY A 285 -0.004 6.156 8.973 1.00 15.00 H new ATOM 0 HA3 GLY A 285 -1.196 5.106 9.712 1.00 15.00 H new ATOM 97 N TRP A 286 -1.770 4.847 6.702 1.00 15.00 N ATOM 98 CA TRP A 286 -1.764 4.051 5.490 1.00 15.00 C ATOM 99 C TRP A 286 -0.959 4.748 4.416 1.00 15.00 C ATOM 100 O TRP A 286 -1.414 5.727 3.822 1.00 15.00 O ATOM 101 CB TRP A 286 -3.198 3.826 4.975 1.00 15.00 C ATOM 102 CG TRP A 286 -3.865 2.614 5.537 1.00 15.00 C ATOM 103 CD1 TRP A 286 -4.023 2.298 6.856 1.00 15.00 C ATOM 104 CD2 TRP A 286 -4.463 1.545 4.790 1.00 15.00 C ATOM 105 NE1 TRP A 286 -4.665 1.093 6.978 1.00 15.00 N ATOM 106 CE2 TRP A 286 -4.941 0.607 5.728 1.00 15.00 C ATOM 107 CE3 TRP A 286 -4.638 1.275 3.420 1.00 15.00 C ATOM 108 CZ2 TRP A 286 -5.572 -0.574 5.347 1.00 15.00 C ATOM 109 CZ3 TRP A 286 -5.258 0.096 3.057 1.00 15.00 C ATOM 110 CH2 TRP A 286 -5.712 -0.817 4.012 1.00 15.00 C ATOM 0 H TRP A 286 -2.542 5.511 6.762 1.00 15.00 H new ATOM 0 HA TRP A 286 -1.314 3.086 5.723 1.00 15.00 H new ATOM 0 HB2 TRP A 286 -3.800 4.703 5.214 1.00 15.00 H new ATOM 0 HB3 TRP A 286 -3.173 3.743 3.888 1.00 15.00 H new ATOM 0 HD1 TRP A 286 -3.691 2.908 7.683 1.00 15.00 H new ATOM 0 HE1 TRP A 286 -4.899 0.633 7.858 1.00 15.00 H new ATOM 0 HE3 TRP A 286 -4.296 1.973 2.671 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 -5.938 -1.274 6.083 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 -5.395 -0.126 2.009 1.00 15.00 H new ATOM 0 HH2 TRP A 286 -6.183 -1.733 3.687 1.00 15.00 H new ATOM 121 N GLU A 287 0.249 4.270 4.190 1.00 15.00 N ATOM 122 CA GLU A 287 1.070 4.798 3.134 1.00 15.00 C ATOM 123 C GLU A 287 0.827 3.985 1.882 1.00 15.00 C ATOM 124 O GLU A 287 0.995 2.767 1.884 1.00 15.00 O ATOM 125 CB GLU A 287 2.545 4.768 3.540 1.00 15.00 C ATOM 126 CG GLU A 287 3.102 6.135 3.904 1.00 15.00 C ATOM 127 CD GLU A 287 2.281 6.857 4.954 1.00 15.00 C ATOM 128 OE1 GLU A 287 2.521 6.631 6.155 1.00 15.00 O ATOM 129 OE2 GLU A 287 1.405 7.667 4.580 1.00 15.00 O1- ATOM 0 H GLU A 287 0.678 3.517 4.727 1.00 15.00 H new ATOM 0 HA GLU A 287 0.808 5.838 2.941 1.00 15.00 H new ATOM 0 HB2 GLU A 287 2.666 4.097 4.390 1.00 15.00 H new ATOM 0 HB3 GLU A 287 3.131 4.352 2.720 1.00 15.00 H new ATOM 0 HG2 GLU A 287 4.123 6.018 4.268 1.00 15.00 H new ATOM 0 HG3 GLU A 287 3.152 6.750 3.006 1.00 15.00 H new ATOM 136 N VAL A 288 0.396 4.638 0.821 1.00 15.00 N ATOM 137 CA VAL A 288 0.140 3.925 -0.407 1.00 15.00 C ATOM 138 C VAL A 288 1.414 3.906 -1.240 1.00 15.00 C ATOM 139 O VAL A 288 1.942 4.940 -1.655 1.00 15.00 O ATOM 140 CB VAL A 288 -1.085 4.495 -1.194 1.00 15.00 C ATOM 141 CG1 VAL A 288 -2.099 5.101 -0.238 1.00 15.00 C ATOM 142 CG2 VAL A 288 -0.701 5.501 -2.272 1.00 15.00 C ATOM 0 H VAL A 288 0.219 5.642 0.786 1.00 15.00 H new ATOM 0 HA VAL A 288 -0.140 2.900 -0.165 1.00 15.00 H new ATOM 0 HB VAL A 288 -1.534 3.648 -1.712 1.00 15.00 H new ATOM 0 HG11 VAL A 288 -2.944 5.492 -0.804 1.00 15.00 H new ATOM 0 HG12 VAL A 288 -2.449 4.335 0.454 1.00 15.00 H new ATOM 0 HG13 VAL A 288 -1.632 5.911 0.323 1.00 15.00 H new ATOM 0 HG21 VAL A 288 -1.600 5.854 -2.777 1.00 15.00 H new ATOM 0 HG22 VAL A 288 -0.186 6.346 -1.814 1.00 15.00 H new ATOM 0 HG23 VAL A 288 -0.042 5.024 -2.997 1.00 15.00 H new ATOM 152 N ARG A 289 1.970 2.725 -1.394 1.00 15.00 N ATOM 153 CA ARG A 289 3.154 2.568 -2.196 1.00 15.00 C ATOM 154 C ARG A 289 2.699 2.126 -3.594 1.00 15.00 C ATOM 155 O ARG A 289 2.438 0.958 -3.845 1.00 15.00 O ATOM 156 CB ARG A 289 4.135 1.581 -1.499 1.00 15.00 C ATOM 157 CG ARG A 289 5.614 2.001 -1.466 1.00 15.00 C ATOM 158 CD ARG A 289 6.192 2.287 -2.843 1.00 15.00 C ATOM 159 NE ARG A 289 5.754 3.588 -3.330 1.00 15.00 N ATOM 160 CZ ARG A 289 5.369 3.820 -4.569 1.00 15.00 C ATOM 161 NH1 ARG A 289 5.754 3.009 -5.538 1.00 15.00 N1+ ATOM 162 NH2 ARG A 289 4.664 4.909 -4.853 1.00 15.00 N ATOM 0 H ARG A 289 1.620 1.864 -0.974 1.00 15.00 H new ATOM 0 HA ARG A 289 3.713 3.497 -2.304 1.00 15.00 H new ATOM 0 HB2 ARG A 289 3.799 1.432 -0.473 1.00 15.00 H new ATOM 0 HB3 ARG A 289 4.064 0.616 -2.001 1.00 15.00 H new ATOM 0 HG2 ARG A 289 5.717 2.891 -0.845 1.00 15.00 H new ATOM 0 HG3 ARG A 289 6.198 1.212 -0.992 1.00 15.00 H new ATOM 0 HD2 ARG A 289 7.281 2.259 -2.798 1.00 15.00 H new ATOM 0 HD3 ARG A 289 5.881 1.509 -3.541 1.00 15.00 H new ATOM 0 HE ARG A 289 5.745 4.367 -2.672 1.00 15.00 H new ATOM 0 HH11 ARG A 289 6.347 2.207 -5.326 1.00 15.00 H new ATOM 0 HH12 ARG A 289 5.458 3.185 -6.498 1.00 15.00 H new ATOM 0 HH21 ARG A 289 4.420 5.566 -4.112 1.00 15.00 H new ATOM 0 HH22 ARG A 289 4.366 5.088 -5.812 1.00 15.00 H new ATOM 176 N SER A 290 2.475 3.116 -4.458 1.00 15.00 N ATOM 177 CA SER A 290 1.954 2.893 -5.803 1.00 15.00 C ATOM 178 C SER A 290 3.075 2.833 -6.836 1.00 15.00 C ATOM 179 O SER A 290 3.692 3.848 -7.164 1.00 15.00 O ATOM 180 CB SER A 290 0.977 4.018 -6.135 1.00 15.00 C ATOM 181 OG SER A 290 1.390 5.223 -5.503 1.00 15.00 O ATOM 0 H SER A 290 2.651 4.097 -4.242 1.00 15.00 H new ATOM 0 HA SER A 290 1.443 1.931 -5.833 1.00 15.00 H new ATOM 0 HB2 SER A 290 0.928 4.162 -7.214 1.00 15.00 H new ATOM 0 HB3 SER A 290 -0.026 3.749 -5.804 1.00 15.00 H new ATOM 0 HG SER A 290 0.759 5.940 -5.722 1.00 15.00 H new ATOM 187 N THR A 291 3.362 1.642 -7.329 1.00 15.00 N ATOM 188 CA THR A 291 4.504 1.444 -8.205 1.00 15.00 C ATOM 189 C THR A 291 4.121 1.572 -9.682 1.00 15.00 C ATOM 190 O THR A 291 2.984 1.277 -10.067 1.00 15.00 O ATOM 191 CB THR A 291 5.174 0.085 -7.930 1.00 15.00 C ATOM 192 OG1 THR A 291 4.185 -0.951 -7.912 1.00 15.00 O ATOM 193 CG2 THR A 291 5.913 0.111 -6.595 1.00 15.00 C ATOM 0 H THR A 291 2.822 0.798 -7.139 1.00 15.00 H new ATOM 0 HA THR A 291 5.221 2.235 -7.986 1.00 15.00 H new ATOM 0 HB THR A 291 5.893 -0.113 -8.725 1.00 15.00 H new ATOM 0 HG1 THR A 291 4.538 -1.732 -7.438 1.00 15.00 H new ATOM 0 HG21 THR A 291 6.380 -0.858 -6.419 1.00 15.00 H new ATOM 0 HG22 THR A 291 6.681 0.884 -6.619 1.00 15.00 H new ATOM 0 HG23 THR A 291 5.207 0.325 -5.793 1.00 15.00 H new ATOM 201 N VAL A 292 5.080 2.019 -10.498 1.00 15.00 N ATOM 202 CA VAL A 292 4.843 2.307 -11.915 1.00 15.00 C ATOM 203 C VAL A 292 4.428 1.050 -12.687 1.00 15.00 C ATOM 204 O VAL A 292 3.908 1.134 -13.800 1.00 15.00 O ATOM 205 CB VAL A 292 6.095 2.944 -12.572 1.00 15.00 C ATOM 206 CG1 VAL A 292 7.235 1.940 -12.671 1.00 15.00 C ATOM 207 CG2 VAL A 292 5.761 3.531 -13.939 1.00 15.00 C ATOM 0 H VAL A 292 6.039 2.191 -10.196 1.00 15.00 H new ATOM 0 HA VAL A 292 4.021 3.021 -11.962 1.00 15.00 H new ATOM 0 HB VAL A 292 6.426 3.761 -11.931 1.00 15.00 H new ATOM 0 HG11 VAL A 292 8.099 2.415 -13.136 1.00 15.00 H new ATOM 0 HG12 VAL A 292 7.504 1.595 -11.673 1.00 15.00 H new ATOM 0 HG13 VAL A 292 6.920 1.090 -13.276 1.00 15.00 H new ATOM 0 HG21 VAL A 292 6.658 3.971 -14.375 1.00 15.00 H new ATOM 0 HG22 VAL A 292 5.389 2.742 -14.593 1.00 15.00 H new ATOM 0 HG23 VAL A 292 4.997 4.301 -13.828 1.00 15.00 H new ATOM 217 N SER A 293 4.645 -0.112 -12.077 1.00 15.00 N ATOM 218 CA SER A 293 4.187 -1.380 -12.634 1.00 15.00 C ATOM 219 C SER A 293 2.664 -1.387 -12.820 1.00 15.00 C ATOM 220 O SER A 293 2.116 -2.252 -13.501 1.00 15.00 O ATOM 221 CB SER A 293 4.616 -2.534 -11.724 1.00 15.00 C ATOM 222 OG SER A 293 6.022 -2.519 -11.526 1.00 15.00 O ATOM 0 H SER A 293 5.140 -0.201 -11.189 1.00 15.00 H new ATOM 0 HA SER A 293 4.644 -1.507 -13.615 1.00 15.00 H new ATOM 0 HB2 SER A 293 4.107 -2.455 -10.763 1.00 15.00 H new ATOM 0 HB3 SER A 293 4.316 -3.484 -12.166 1.00 15.00 H new ATOM 0 HG SER A 293 6.278 -3.262 -10.941 1.00 15.00 H new ATOM 228 N GLY A 294 1.991 -0.426 -12.197 1.00 15.00 N ATOM 229 CA GLY A 294 0.551 -0.337 -12.301 1.00 15.00 C ATOM 230 C GLY A 294 -0.139 -1.123 -11.214 1.00 15.00 C ATOM 231 O GLY A 294 -1.097 -1.855 -11.467 1.00 15.00 O ATOM 0 H GLY A 294 2.422 0.296 -11.619 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.246 0.708 -12.243 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.233 -0.708 -13.275 1.00 15.00 H new ATOM 235 N ARG A 295 0.358 -0.977 -9.998 1.00 15.00 N ATOM 236 CA ARG A 295 -0.212 -1.663 -8.855 1.00 15.00 C ATOM 237 C ARG A 295 -0.019 -0.847 -7.586 1.00 15.00 C ATOM 238 O ARG A 295 1.099 -0.436 -7.254 1.00 15.00 O ATOM 239 CB ARG A 295 0.416 -3.055 -8.690 1.00 15.00 C ATOM 240 CG ARG A 295 1.929 -3.035 -8.539 1.00 15.00 C ATOM 241 CD ARG A 295 2.480 -4.429 -8.319 1.00 15.00 C ATOM 242 NE ARG A 295 3.936 -4.440 -8.221 1.00 15.00 N ATOM 243 CZ ARG A 295 4.710 -5.341 -8.821 1.00 15.00 C ATOM 244 NH1 ARG A 295 4.173 -6.258 -9.620 1.00 15.00 N1+ ATOM 245 NH2 ARG A 295 6.023 -5.310 -8.634 1.00 15.00 N ATOM 0 H ARG A 295 1.160 -0.386 -9.778 1.00 15.00 H new ATOM 0 HA ARG A 295 -1.281 -1.782 -9.031 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -0.020 -3.538 -7.816 1.00 15.00 H new ATOM 0 HB3 ARG A 295 0.155 -3.665 -9.555 1.00 15.00 H new ATOM 0 HG2 ARG A 295 2.380 -2.600 -9.431 1.00 15.00 H new ATOM 0 HG3 ARG A 295 2.204 -2.396 -7.700 1.00 15.00 H new ATOM 0 HD2 ARG A 295 2.054 -4.846 -7.407 1.00 15.00 H new ATOM 0 HD3 ARG A 295 2.168 -5.074 -9.140 1.00 15.00 H new ATOM 0 HE ARG A 295 4.386 -3.716 -7.661 1.00 15.00 H new ATOM 0 HH11 ARG A 295 3.165 -6.272 -9.775 1.00 15.00 H new ATOM 0 HH12 ARG A 295 4.769 -6.947 -10.078 1.00 15.00 H new ATOM 0 HH21 ARG A 295 6.436 -4.597 -8.032 1.00 15.00 H new ATOM 0 HH22 ARG A 295 6.620 -5.999 -9.092 1.00 15.00 H new ATOM 259 N ILE A 296 -1.112 -0.591 -6.895 1.00 15.00 N ATOM 260 CA ILE A 296 -1.052 -0.001 -5.573 1.00 15.00 C ATOM 261 C ILE A 296 -0.966 -1.143 -4.568 1.00 15.00 C ATOM 262 O ILE A 296 -1.615 -2.175 -4.741 1.00 15.00 O ATOM 263 CB ILE A 296 -2.273 0.933 -5.311 1.00 15.00 C ATOM 264 CG1 ILE A 296 -2.057 1.843 -4.080 1.00 15.00 C ATOM 265 CG2 ILE A 296 -3.561 0.128 -5.168 1.00 15.00 C ATOM 266 CD1 ILE A 296 -2.323 1.180 -2.742 1.00 15.00 C ATOM 0 H ILE A 296 -2.056 -0.783 -7.229 1.00 15.00 H new ATOM 0 HA ILE A 296 -0.174 0.637 -5.476 1.00 15.00 H new ATOM 0 HB ILE A 296 -2.368 1.582 -6.182 1.00 15.00 H new ATOM 0 HG12 ILE A 296 -1.030 2.207 -4.091 1.00 15.00 H new ATOM 0 HG13 ILE A 296 -2.705 2.715 -4.172 1.00 15.00 H new ATOM 0 HG21 ILE A 296 -4.395 0.806 -4.986 1.00 15.00 H new ATOM 0 HG22 ILE A 296 -3.743 -0.433 -6.084 1.00 15.00 H new ATOM 0 HG23 ILE A 296 -3.467 -0.564 -4.331 1.00 15.00 H new ATOM 0 HD11 ILE A 296 -2.145 1.896 -1.939 1.00 15.00 H new ATOM 0 HD12 ILE A 296 -3.358 0.841 -2.703 1.00 15.00 H new ATOM 0 HD13 ILE A 296 -1.657 0.326 -2.620 1.00 15.00 H new ATOM 278 N TYR A 297 -0.147 -0.986 -3.549 1.00 15.00 N ATOM 279 CA TYR A 297 0.113 -2.077 -2.631 1.00 15.00 C ATOM 280 C TYR A 297 0.412 -1.467 -1.296 1.00 15.00 C ATOM 281 O TYR A 297 1.220 -0.536 -1.188 1.00 15.00 O ATOM 282 CB TYR A 297 1.234 -3.024 -3.129 1.00 15.00 C ATOM 283 CG TYR A 297 2.666 -2.657 -2.770 1.00 15.00 C ATOM 284 CD1 TYR A 297 3.345 -1.660 -3.452 1.00 15.00 C ATOM 285 CD2 TYR A 297 3.350 -3.334 -1.758 1.00 15.00 C ATOM 286 CE1 TYR A 297 4.652 -1.340 -3.138 1.00 15.00 C ATOM 287 CE2 TYR A 297 4.655 -3.017 -1.441 1.00 15.00 C ATOM 288 CZ TYR A 297 5.302 -2.020 -2.132 1.00 15.00 C ATOM 289 OH TYR A 297 6.600 -1.693 -1.814 1.00 15.00 O ATOM 0 H TYR A 297 0.348 -0.120 -3.336 1.00 15.00 H new ATOM 0 HA TYR A 297 -0.762 -2.723 -2.556 1.00 15.00 H new ATOM 0 HB2 TYR A 297 1.033 -4.021 -2.737 1.00 15.00 H new ATOM 0 HB3 TYR A 297 1.164 -3.088 -4.215 1.00 15.00 H new ATOM 0 HD1 TYR A 297 2.843 -1.123 -4.244 1.00 15.00 H new ATOM 0 HD2 TYR A 297 2.848 -4.120 -1.213 1.00 15.00 H new ATOM 0 HE1 TYR A 297 5.163 -0.558 -3.680 1.00 15.00 H new ATOM 0 HE2 TYR A 297 5.166 -3.550 -0.653 1.00 15.00 H new ATOM 0 HH TYR A 297 6.912 -2.266 -1.082 1.00 15.00 H new ATOM 299 N PHE A 298 -0.257 -1.951 -0.284 1.00 15.00 N ATOM 300 CA PHE A 298 -0.312 -1.215 0.926 1.00 15.00 C ATOM 301 C PHE A 298 0.779 -1.514 1.891 1.00 15.00 C ATOM 302 O PHE A 298 1.078 -2.660 2.205 1.00 15.00 O ATOM 303 CB PHE A 298 -1.649 -1.365 1.571 1.00 15.00 C ATOM 304 CG PHE A 298 -2.403 -0.150 1.283 1.00 15.00 C ATOM 305 CD1 PHE A 298 -1.962 1.044 1.812 1.00 15.00 C ATOM 306 CD2 PHE A 298 -3.500 -0.170 0.454 1.00 15.00 C ATOM 307 CE1 PHE A 298 -2.608 2.202 1.532 1.00 15.00 C ATOM 308 CE2 PHE A 298 -4.159 0.995 0.175 1.00 15.00 C ATOM 309 CZ PHE A 298 -3.705 2.173 0.718 1.00 15.00 C ATOM 0 H PHE A 298 -0.760 -2.838 -0.283 1.00 15.00 H new ATOM 0 HA PHE A 298 -0.156 -0.175 0.638 1.00 15.00 H new ATOM 0 HB2 PHE A 298 -2.168 -2.241 1.183 1.00 15.00 H new ATOM 0 HB3 PHE A 298 -1.544 -1.507 2.647 1.00 15.00 H new ATOM 0 HD1 PHE A 298 -1.094 1.057 2.455 1.00 15.00 H new ATOM 0 HD2 PHE A 298 -3.839 -1.101 0.025 1.00 15.00 H new ATOM 0 HE1 PHE A 298 -2.260 3.136 1.947 1.00 15.00 H new ATOM 0 HE2 PHE A 298 -5.028 0.990 -0.466 1.00 15.00 H new ATOM 0 HZ PHE A 298 -4.225 3.093 0.497 1.00 15.00 H new ATOM 319 N VAL A 299 1.330 -0.428 2.384 1.00 15.00 N ATOM 320 CA VAL A 299 2.402 -0.457 3.316 1.00 15.00 C ATOM 321 C VAL A 299 2.040 0.458 4.494 1.00 15.00 C ATOM 322 O VAL A 299 2.279 1.672 4.492 1.00 15.00 O ATOM 323 CB VAL A 299 3.714 -0.024 2.610 1.00 15.00 C ATOM 324 CG1 VAL A 299 4.075 -1.004 1.494 1.00 15.00 C ATOM 325 CG2 VAL A 299 3.577 1.368 2.018 1.00 15.00 C ATOM 0 H VAL A 299 1.029 0.514 2.134 1.00 15.00 H new ATOM 0 HA VAL A 299 2.565 -1.463 3.702 1.00 15.00 H new ATOM 0 HB VAL A 299 4.504 -0.020 3.361 1.00 15.00 H new ATOM 0 HG11 VAL A 299 4.998 -0.682 1.012 1.00 15.00 H new ATOM 0 HG12 VAL A 299 4.214 -2.000 1.915 1.00 15.00 H new ATOM 0 HG13 VAL A 299 3.271 -1.030 0.758 1.00 15.00 H new ATOM 0 HG21 VAL A 299 4.510 1.649 1.529 1.00 15.00 H new ATOM 0 HG22 VAL A 299 2.768 1.375 1.288 1.00 15.00 H new ATOM 0 HG23 VAL A 299 3.355 2.081 2.812 1.00 15.00 H new ATOM 335 N ASP A 300 1.396 -0.120 5.484 1.00 15.00 N ATOM 336 CA ASP A 300 1.008 0.638 6.657 1.00 15.00 C ATOM 337 C ASP A 300 2.132 0.560 7.667 1.00 15.00 C ATOM 338 O ASP A 300 2.540 -0.526 8.082 1.00 15.00 O ATOM 339 CB ASP A 300 -0.329 0.129 7.222 1.00 15.00 C ATOM 340 CG ASP A 300 -0.287 -0.197 8.703 1.00 15.00 C ATOM 341 OD1 ASP A 300 -0.323 0.736 9.537 1.00 15.00 O1- ATOM 342 OD2 ASP A 300 -0.221 -1.394 9.040 1.00 15.00 O ATOM 0 H ASP A 300 1.131 -1.105 5.503 1.00 15.00 H new ATOM 0 HA ASP A 300 0.845 1.684 6.396 1.00 15.00 H new ATOM 0 HB2 ASP A 300 -1.096 0.883 7.048 1.00 15.00 H new ATOM 0 HB3 ASP A 300 -0.628 -0.763 6.672 1.00 15.00 H new ATOM 347 N HIS A 301 2.666 1.719 8.023 1.00 15.00 N ATOM 348 CA HIS A 301 3.855 1.766 8.855 1.00 15.00 C ATOM 349 C HIS A 301 3.493 1.632 10.332 1.00 15.00 C ATOM 350 O HIS A 301 4.357 1.345 11.162 1.00 15.00 O ATOM 351 CB HIS A 301 4.651 3.064 8.662 1.00 15.00 C ATOM 352 CG HIS A 301 4.981 3.462 7.250 1.00 15.00 C ATOM 353 ND1 HIS A 301 5.370 2.739 6.175 1.00 15.00 N flip ATOM 354 CD2 HIS A 301 5.064 4.777 6.863 1.00 15.00 C flip ATOM 355 CE1 HIS A 301 5.703 3.617 5.175 1.00 15.00 C flip ATOM 356 NE2 HIS A 301 5.499 4.844 5.622 1.00 15.00 N flip ATOM 0 H HIS A 301 2.298 2.630 7.751 1.00 15.00 H new ATOM 0 HA HIS A 301 4.477 0.926 8.544 1.00 15.00 H new ATOM 0 HB2 HIS A 301 4.088 3.877 9.120 1.00 15.00 H new ATOM 0 HB3 HIS A 301 5.586 2.973 9.215 1.00 15.00 H new ATOM 0 HD1 HIS A 301 5.409 1.721 6.118 1.00 15.00 H new ATOM 0 HD2 HIS A 301 4.811 5.626 7.481 1.00 15.00 H new ATOM 0 HE1 HIS A 301 6.068 3.352 4.194 1.00 15.00 H new ATOM 365 N ASN A 302 2.223 1.846 10.663 1.00 15.00 N ATOM 366 CA ASN A 302 1.801 1.841 12.061 1.00 15.00 C ATOM 367 C ASN A 302 1.579 0.418 12.550 1.00 15.00 C ATOM 368 O ASN A 302 2.236 -0.037 13.484 1.00 15.00 O ATOM 369 CB ASN A 302 0.518 2.657 12.272 1.00 15.00 C ATOM 370 CG ASN A 302 0.704 4.144 12.034 1.00 15.00 C ATOM 371 OD1 ASN A 302 1.816 4.669 12.093 1.00 15.00 O ATOM 372 ND2 ASN A 302 -0.397 4.841 11.806 1.00 15.00 N ATOM 0 H ASN A 302 1.476 2.023 9.992 1.00 15.00 H new ATOM 0 HA ASN A 302 2.602 2.304 12.637 1.00 15.00 H new ATOM 0 HB2 ASN A 302 -0.256 2.283 11.602 1.00 15.00 H new ATOM 0 HB3 ASN A 302 0.160 2.501 13.290 1.00 15.00 H new ATOM 0 HD21 ASN A 302 -0.343 5.851 11.672 1.00 15.00 H new ATOM 0 HD22 ASN A 302 -1.300 4.369 11.764 1.00 15.00 H new ATOM 379 N ASN A 303 0.662 -0.283 11.904 1.00 15.00 N ATOM 380 CA ASN A 303 0.315 -1.643 12.305 1.00 15.00 C ATOM 381 C ASN A 303 1.260 -2.639 11.653 1.00 15.00 C ATOM 382 O ASN A 303 1.309 -3.809 12.035 1.00 15.00 O ATOM 383 CB ASN A 303 -1.132 -1.975 11.924 1.00 15.00 C ATOM 384 CG ASN A 303 -2.138 -1.023 12.539 1.00 15.00 C ATOM 385 OD1 ASN A 303 -2.639 -1.259 13.636 1.00 15.00 O ATOM 386 ND2 ASN A 303 -2.442 0.058 11.836 1.00 15.00 N ATOM 0 H ASN A 303 0.142 0.065 11.098 1.00 15.00 H new ATOM 0 HA ASN A 303 0.411 -1.711 13.389 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -1.232 -1.949 10.839 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -1.361 -2.992 12.241 1.00 15.00 H new ATOM 0 HD21 ASN A 303 -3.115 0.732 12.202 1.00 15.00 H new ATOM 0 HD22 ASN A 303 -2.003 0.217 10.929 1.00 15.00 H new ATOM 393 N ARG A 304 1.981 -2.158 10.647 1.00 15.00 N ATOM 394 CA ARG A 304 2.892 -2.973 9.857 1.00 15.00 C ATOM 395 C ARG A 304 2.130 -4.089 9.151 1.00 15.00 C ATOM 396 O ARG A 304 2.136 -5.247 9.580 1.00 15.00 O ATOM 397 CB ARG A 304 4.047 -3.523 10.707 1.00 15.00 C ATOM 398 CG ARG A 304 5.073 -4.304 9.901 1.00 15.00 C ATOM 399 CD ARG A 304 6.411 -4.398 10.623 1.00 15.00 C ATOM 400 NE ARG A 304 6.974 -3.085 10.947 1.00 15.00 N ATOM 401 CZ ARG A 304 7.760 -2.844 11.996 1.00 15.00 C ATOM 402 NH1 ARG A 304 8.074 -3.818 12.841 1.00 15.00 N1+ ATOM 403 NH2 ARG A 304 8.240 -1.624 12.196 1.00 15.00 N ATOM 0 H ARG A 304 1.948 -1.181 10.355 1.00 15.00 H new ATOM 0 HA ARG A 304 3.341 -2.336 9.096 1.00 15.00 H new ATOM 0 HB2 ARG A 304 4.545 -2.694 11.209 1.00 15.00 H new ATOM 0 HB3 ARG A 304 3.640 -4.168 11.485 1.00 15.00 H new ATOM 0 HG2 ARG A 304 4.694 -5.307 9.706 1.00 15.00 H new ATOM 0 HG3 ARG A 304 5.216 -3.824 8.933 1.00 15.00 H new ATOM 0 HD2 ARG A 304 6.284 -4.970 11.542 1.00 15.00 H new ATOM 0 HD3 ARG A 304 7.117 -4.948 10.000 1.00 15.00 H new ATOM 0 HE ARG A 304 6.750 -2.305 10.330 1.00 15.00 H new ATOM 0 HH11 ARG A 304 7.713 -4.760 12.690 1.00 15.00 H new ATOM 0 HH12 ARG A 304 8.676 -3.625 13.641 1.00 15.00 H new ATOM 0 HH21 ARG A 304 8.007 -0.872 11.548 1.00 15.00 H new ATOM 0 HH22 ARG A 304 8.842 -1.438 12.998 1.00 15.00 H new ATOM 417 N THR A 305 1.417 -3.707 8.101 1.00 15.00 N ATOM 418 CA THR A 305 0.644 -4.647 7.301 1.00 15.00 C ATOM 419 C THR A 305 0.799 -4.339 5.817 1.00 15.00 C ATOM 420 O THR A 305 1.012 -3.183 5.436 1.00 15.00 O ATOM 421 CB THR A 305 -0.858 -4.623 7.670 1.00 15.00 C ATOM 422 OG1 THR A 305 -1.363 -3.281 7.639 1.00 15.00 O ATOM 423 CG2 THR A 305 -1.098 -5.225 9.045 1.00 15.00 C ATOM 0 H THR A 305 1.358 -2.741 7.780 1.00 15.00 H new ATOM 0 HA THR A 305 1.034 -5.642 7.516 1.00 15.00 H new ATOM 0 HB THR A 305 -1.387 -5.224 6.931 1.00 15.00 H new ATOM 0 HG1 THR A 305 -1.047 -2.794 8.429 1.00 15.00 H new ATOM 0 HG21 THR A 305 -2.163 -5.193 9.275 1.00 15.00 H new ATOM 0 HG22 THR A 305 -0.755 -6.260 9.054 1.00 15.00 H new ATOM 0 HG23 THR A 305 -0.548 -4.654 9.793 1.00 15.00 H new ATOM 431 N THR A 306 0.706 -5.372 4.989 1.00 15.00 N ATOM 432 CA THR A 306 0.818 -5.211 3.551 1.00 15.00 C ATOM 433 C THR A 306 -0.364 -5.876 2.843 1.00 15.00 C ATOM 434 O THR A 306 -0.533 -7.094 2.905 1.00 15.00 O ATOM 435 CB THR A 306 2.137 -5.804 3.021 1.00 15.00 C ATOM 436 OG1 THR A 306 3.244 -5.329 3.803 1.00 15.00 O ATOM 437 CG2 THR A 306 2.349 -5.412 1.568 1.00 15.00 C ATOM 0 H THR A 306 0.553 -6.333 5.294 1.00 15.00 H new ATOM 0 HA THR A 306 0.810 -4.142 3.340 1.00 15.00 H new ATOM 0 HB THR A 306 2.077 -6.890 3.096 1.00 15.00 H new ATOM 0 HG1 THR A 306 4.077 -5.714 3.458 1.00 15.00 H new ATOM 0 HG21 THR A 306 3.285 -5.839 1.209 1.00 15.00 H new ATOM 0 HG22 THR A 306 1.523 -5.790 0.965 1.00 15.00 H new ATOM 0 HG23 THR A 306 2.391 -4.326 1.487 1.00 15.00 H new ATOM 445 N GLN A 307 -1.184 -5.069 2.177 1.00 15.00 N ATOM 446 CA GLN A 307 -2.411 -5.568 1.554 1.00 15.00 C ATOM 447 C GLN A 307 -2.552 -5.028 0.130 1.00 15.00 C ATOM 448 O GLN A 307 -2.291 -3.858 -0.114 1.00 15.00 O ATOM 449 CB GLN A 307 -3.627 -5.137 2.386 1.00 15.00 C ATOM 450 CG GLN A 307 -3.538 -5.518 3.861 1.00 15.00 C ATOM 451 CD GLN A 307 -3.621 -7.017 4.101 1.00 15.00 C ATOM 452 OE1 GLN A 307 -4.414 -7.708 3.294 1.00 15.00 O flip ATOM 453 NE2 GLN A 307 -3.002 -7.545 5.029 1.00 15.00 N flip ATOM 0 H GLN A 307 -1.024 -4.069 2.053 1.00 15.00 H new ATOM 0 HA GLN A 307 -2.360 -6.656 1.513 1.00 15.00 H new ATOM 0 HB2 GLN A 307 -3.743 -4.056 2.307 1.00 15.00 H new ATOM 0 HB3 GLN A 307 -4.524 -5.586 1.959 1.00 15.00 H new ATOM 0 HG2 GLN A 307 -2.600 -5.143 4.270 1.00 15.00 H new ATOM 0 HG3 GLN A 307 -4.343 -5.025 4.406 1.00 15.00 H new ATOM 0 HE21 GLN A 307 -2.401 -6.979 5.628 1.00 15.00 H new ATOM 0 HE22 GLN A 307 -3.091 -8.547 5.196 1.00 15.00 H new ATOM 462 N PHE A 308 -2.977 -5.872 -0.805 1.00 15.00 N ATOM 463 CA PHE A 308 -3.231 -5.422 -2.178 1.00 15.00 C ATOM 464 C PHE A 308 -4.597 -4.746 -2.304 1.00 15.00 C ATOM 465 O PHE A 308 -4.888 -4.095 -3.304 1.00 15.00 O ATOM 466 CB PHE A 308 -3.127 -6.578 -3.181 1.00 15.00 C ATOM 467 CG PHE A 308 -1.745 -6.772 -3.742 1.00 15.00 C ATOM 468 CD1 PHE A 308 -1.015 -5.685 -4.198 1.00 15.00 C ATOM 469 CD2 PHE A 308 -1.178 -8.036 -3.832 1.00 15.00 C ATOM 470 CE1 PHE A 308 0.250 -5.852 -4.729 1.00 15.00 C ATOM 471 CE2 PHE A 308 0.084 -8.202 -4.357 1.00 15.00 C ATOM 472 CZ PHE A 308 0.799 -7.112 -4.806 1.00 15.00 C ATOM 0 H PHE A 308 -3.153 -6.864 -0.644 1.00 15.00 H new ATOM 0 HA PHE A 308 -2.459 -4.690 -2.414 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -3.444 -7.500 -2.693 1.00 15.00 H new ATOM 0 HB3 PHE A 308 -3.821 -6.398 -4.002 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -1.441 -4.694 -4.137 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -1.732 -8.897 -3.487 1.00 15.00 H new ATOM 0 HE1 PHE A 308 0.806 -4.996 -5.083 1.00 15.00 H new ATOM 0 HE2 PHE A 308 0.516 -9.190 -4.417 1.00 15.00 H new ATOM 0 HZ PHE A 308 1.788 -7.247 -5.218 1.00 15.00 H new ATOM 482 N THR A 309 -5.443 -4.933 -1.303 1.00 15.00 N ATOM 483 CA THR A 309 -6.782 -4.364 -1.323 1.00 15.00 C ATOM 484 C THR A 309 -6.765 -2.888 -0.927 1.00 15.00 C ATOM 485 O THR A 309 -6.388 -2.540 0.193 1.00 15.00 O ATOM 486 CB THR A 309 -7.714 -5.138 -0.375 1.00 15.00 C ATOM 487 OG1 THR A 309 -7.584 -6.545 -0.623 1.00 15.00 O ATOM 488 CG2 THR A 309 -9.165 -4.719 -0.570 1.00 15.00 C ATOM 0 H THR A 309 -5.226 -5.474 -0.466 1.00 15.00 H new ATOM 0 HA THR A 309 -7.156 -4.446 -2.344 1.00 15.00 H new ATOM 0 HB THR A 309 -7.427 -4.911 0.652 1.00 15.00 H new ATOM 0 HG1 THR A 309 -8.176 -7.040 -0.019 1.00 15.00 H new ATOM 0 HG21 THR A 309 -9.801 -5.282 0.113 1.00 15.00 H new ATOM 0 HG22 THR A 309 -9.267 -3.653 -0.365 1.00 15.00 H new ATOM 0 HG23 THR A 309 -9.467 -4.921 -1.598 1.00 15.00 H new ATOM 496 N ASP A 310 -7.165 -2.032 -1.858 1.00 15.00 N ATOM 497 CA ASP A 310 -7.228 -0.596 -1.613 1.00 15.00 C ATOM 498 C ASP A 310 -8.664 -0.176 -1.304 1.00 15.00 C ATOM 499 O ASP A 310 -9.581 -0.489 -2.062 1.00 15.00 O ATOM 500 CB ASP A 310 -6.700 0.165 -2.835 1.00 15.00 C ATOM 501 CG ASP A 310 -6.647 1.666 -2.627 1.00 15.00 C ATOM 502 OD1 ASP A 310 -7.717 2.306 -2.581 1.00 15.00 O1- ATOM 503 OD2 ASP A 310 -5.537 2.217 -2.504 1.00 15.00 O ATOM 0 H ASP A 310 -7.453 -2.309 -2.796 1.00 15.00 H new ATOM 0 HA ASP A 310 -6.604 -0.355 -0.752 1.00 15.00 H new ATOM 0 HB2 ASP A 310 -5.701 -0.197 -3.077 1.00 15.00 H new ATOM 0 HB3 ASP A 310 -7.335 -0.054 -3.694 1.00 15.00 H new ATOM 508 N PRO A 311 -8.876 0.543 -0.189 1.00 15.00 N ATOM 509 CA PRO A 311 -10.215 0.931 0.268 1.00 15.00 C ATOM 510 C PRO A 311 -10.859 2.043 -0.568 1.00 15.00 C ATOM 511 O PRO A 311 -12.064 2.281 -0.465 1.00 15.00 O ATOM 512 CB PRO A 311 -9.979 1.397 1.705 1.00 15.00 C ATOM 513 CG PRO A 311 -8.567 1.871 1.723 1.00 15.00 C ATOM 514 CD PRO A 311 -7.822 1.020 0.727 1.00 15.00 C ATOM 0 HA PRO A 311 -10.916 0.101 0.178 1.00 15.00 H new ATOM 0 HB2 PRO A 311 -10.668 2.195 1.980 1.00 15.00 H new ATOM 0 HB3 PRO A 311 -10.133 0.584 2.415 1.00 15.00 H new ATOM 0 HG2 PRO A 311 -8.508 2.926 1.454 1.00 15.00 H new ATOM 0 HG3 PRO A 311 -8.136 1.771 2.719 1.00 15.00 H new ATOM 0 HD2 PRO A 311 -7.063 1.596 0.198 1.00 15.00 H new ATOM 0 HD3 PRO A 311 -7.310 0.190 1.214 1.00 15.00 H new ATOM 522 N ARG A 312 -10.070 2.737 -1.380 1.00 15.00 N ATOM 523 CA ARG A 312 -10.609 3.808 -2.208 1.00 15.00 C ATOM 524 C ARG A 312 -11.087 3.251 -3.538 1.00 15.00 C ATOM 525 O ARG A 312 -11.932 3.846 -4.202 1.00 15.00 O ATOM 526 CB ARG A 312 -9.587 4.921 -2.472 1.00 15.00 C ATOM 527 CG ARG A 312 -9.179 5.729 -1.247 1.00 15.00 C ATOM 528 CD ARG A 312 -8.139 5.006 -0.408 1.00 15.00 C ATOM 529 NE ARG A 312 -7.009 4.550 -1.217 1.00 15.00 N ATOM 530 CZ ARG A 312 -5.899 5.256 -1.432 1.00 15.00 C ATOM 531 NH1 ARG A 312 -5.799 6.506 -0.997 1.00 15.00 N1+ ATOM 532 NH2 ARG A 312 -4.904 4.713 -2.116 1.00 15.00 N ATOM 0 H ARG A 312 -9.067 2.580 -1.482 1.00 15.00 H new ATOM 0 HA ARG A 312 -11.442 4.242 -1.655 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -8.693 4.476 -2.908 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -9.999 5.602 -3.216 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -8.782 6.693 -1.565 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -10.059 5.932 -0.637 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -7.779 5.671 0.377 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -8.601 4.151 0.086 1.00 15.00 H new ATOM 0 HE ARG A 312 -7.075 3.627 -1.647 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -6.576 6.934 -0.493 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -4.945 7.038 -1.166 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -4.990 3.762 -2.474 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -4.051 5.246 -2.285 1.00 15.00 H new ATOM 546 N LEU A 313 -10.527 2.117 -3.929 1.00 15.00 N ATOM 547 CA LEU A 313 -10.908 1.475 -5.173 1.00 15.00 C ATOM 548 C LEU A 313 -12.201 0.691 -4.984 1.00 15.00 C ATOM 549 O LEU A 313 -12.135 -0.503 -4.623 1.00 15.00 O ATOM 550 CB LEU A 313 -9.790 0.554 -5.669 1.00 15.00 C ATOM 551 CG LEU A 313 -8.461 1.246 -5.985 1.00 15.00 C ATOM 552 CD1 LEU A 313 -7.433 0.228 -6.456 1.00 15.00 C ATOM 553 CD2 LEU A 313 -8.654 2.327 -7.037 1.00 15.00 C ATOM 0 H LEU A 313 -9.807 1.624 -3.401 1.00 15.00 H new ATOM 0 HA LEU A 313 -11.073 2.246 -5.926 1.00 15.00 H new ATOM 0 HB2 LEU A 313 -9.611 -0.211 -4.914 1.00 15.00 H new ATOM 0 HB3 LEU A 313 -10.136 0.042 -6.567 1.00 15.00 H new ATOM 0 HG LEU A 313 -8.095 1.717 -5.073 1.00 15.00 H new ATOM 0 HD11 LEU A 313 -6.494 0.735 -6.677 1.00 15.00 H new ATOM 0 HD12 LEU A 313 -7.270 -0.513 -5.674 1.00 15.00 H new ATOM 0 HD13 LEU A 313 -7.798 -0.268 -7.355 1.00 15.00 H new ATOM 0 HD21 LEU A 313 -7.697 2.806 -7.246 1.00 15.00 H new ATOM 0 HD22 LEU A 313 -9.044 1.879 -7.951 1.00 15.00 H new ATOM 0 HD23 LEU A 313 -9.359 3.072 -6.668 1.00 15.00 H new ATOM 566 N ASP B 221 -1.331 -9.325 -9.533 1.00 15.00 N ATOM 567 CA ASP B 221 0.070 -9.167 -9.084 1.00 15.00 C ATOM 568 C ASP B 221 0.414 -10.206 -8.029 1.00 15.00 C ATOM 569 O ASP B 221 -0.419 -10.549 -7.190 1.00 15.00 O ATOM 570 CB ASP B 221 0.296 -7.757 -8.529 1.00 15.00 C ATOM 571 CG ASP B 221 0.376 -6.722 -9.626 1.00 15.00 C ATOM 572 OD1 ASP B 221 1.471 -6.550 -10.198 1.00 15.00 O1- ATOM 573 OD2 ASP B 221 -0.651 -6.080 -9.923 1.00 15.00 O ATOM 0 HA ASP B 221 0.724 -9.315 -9.943 1.00 15.00 H new ATOM 0 HB2 ASP B 221 -0.516 -7.501 -7.848 1.00 15.00 H new ATOM 0 HB3 ASP B 221 1.217 -7.740 -7.947 1.00 15.00 H new ATOM 578 N THR B 222 1.648 -10.696 -8.082 1.00 15.00 N ATOM 579 CA THR B 222 2.137 -11.703 -7.145 1.00 15.00 C ATOM 580 C THR B 222 2.144 -11.183 -5.706 1.00 15.00 C ATOM 581 O THR B 222 2.001 -9.983 -5.492 1.00 15.00 O ATOM 582 CB THR B 222 3.555 -12.154 -7.548 1.00 15.00 C ATOM 583 OG1 THR B 222 4.397 -11.007 -7.740 1.00 15.00 O ATOM 584 CG2 THR B 222 3.522 -12.981 -8.825 1.00 15.00 C ATOM 0 H THR B 222 2.338 -10.407 -8.775 1.00 15.00 H new ATOM 0 HA THR B 222 1.457 -12.554 -7.188 1.00 15.00 H new ATOM 0 HB THR B 222 3.956 -12.773 -6.745 1.00 15.00 H new ATOM 0 HG1 THR B 222 5.297 -11.301 -7.994 1.00 15.00 H new ATOM 0 HG21 THR B 222 4.535 -13.286 -9.087 1.00 15.00 H new ATOM 0 HG22 THR B 222 2.905 -13.866 -8.669 1.00 15.00 H new ATOM 0 HG23 THR B 222 3.102 -12.384 -9.634 1.00 15.00 H new ATOM 592 N PRO B 223 2.354 -12.075 -4.707 1.00 15.00 N ATOM 593 CA PRO B 223 2.221 -11.732 -3.280 1.00 15.00 C ATOM 594 C PRO B 223 2.957 -10.446 -2.890 1.00 15.00 C ATOM 595 O PRO B 223 4.083 -10.195 -3.334 1.00 15.00 O ATOM 596 CB PRO B 223 2.853 -12.934 -2.578 1.00 15.00 C ATOM 597 CG PRO B 223 2.615 -14.072 -3.504 1.00 15.00 C ATOM 598 CD PRO B 223 2.710 -13.499 -4.890 1.00 15.00 C ATOM 0 HA PRO B 223 1.182 -11.542 -3.011 1.00 15.00 H new ATOM 0 HB2 PRO B 223 3.918 -12.778 -2.406 1.00 15.00 H new ATOM 0 HB3 PRO B 223 2.395 -13.111 -1.605 1.00 15.00 H new ATOM 0 HG2 PRO B 223 3.354 -14.859 -3.355 1.00 15.00 H new ATOM 0 HG3 PRO B 223 1.636 -14.518 -3.332 1.00 15.00 H new ATOM 0 HD2 PRO B 223 3.713 -13.611 -5.302 1.00 15.00 H new ATOM 0 HD3 PRO B 223 2.026 -13.997 -5.577 1.00 15.00 H new ATOM 606 N PRO B 224 2.327 -9.631 -2.020 1.00 15.00 N ATOM 607 CA PRO B 224 2.796 -8.277 -1.706 1.00 15.00 C ATOM 608 C PRO B 224 4.165 -8.243 -1.029 1.00 15.00 C ATOM 609 O PRO B 224 4.459 -9.044 -0.139 1.00 15.00 O ATOM 610 CB PRO B 224 1.718 -7.733 -0.767 1.00 15.00 C ATOM 611 CG PRO B 224 1.069 -8.934 -0.183 1.00 15.00 C ATOM 612 CD PRO B 224 1.113 -9.979 -1.255 1.00 15.00 C ATOM 0 HA PRO B 224 2.934 -7.690 -2.614 1.00 15.00 H new ATOM 0 HB2 PRO B 224 2.153 -7.104 0.009 1.00 15.00 H new ATOM 0 HB3 PRO B 224 0.997 -7.120 -1.308 1.00 15.00 H new ATOM 0 HG2 PRO B 224 1.595 -9.268 0.711 1.00 15.00 H new ATOM 0 HG3 PRO B 224 0.042 -8.719 0.113 1.00 15.00 H new ATOM 0 HD2 PRO B 224 1.176 -10.983 -0.835 1.00 15.00 H new ATOM 0 HD3 PRO B 224 0.221 -9.951 -1.881 1.00 15.00 H new ATOM 620 N PRO B 225 5.009 -7.294 -1.463 1.00 15.00 N ATOM 621 CA PRO B 225 6.337 -7.051 -0.879 1.00 15.00 C ATOM 622 C PRO B 225 6.269 -6.580 0.572 1.00 15.00 C ATOM 623 O PRO B 225 5.194 -6.272 1.086 1.00 15.00 O ATOM 624 CB PRO B 225 6.905 -5.919 -1.745 1.00 15.00 C ATOM 625 CG PRO B 225 6.090 -5.916 -2.987 1.00 15.00 C ATOM 626 CD PRO B 225 4.728 -6.385 -2.582 1.00 15.00 C ATOM 0 HA PRO B 225 6.934 -7.963 -0.867 1.00 15.00 H new ATOM 0 HB2 PRO B 225 6.838 -4.961 -1.230 1.00 15.00 H new ATOM 0 HB3 PRO B 225 7.958 -6.088 -1.968 1.00 15.00 H new ATOM 0 HG2 PRO B 225 6.046 -4.918 -3.424 1.00 15.00 H new ATOM 0 HG3 PRO B 225 6.522 -6.575 -3.740 1.00 15.00 H new ATOM 0 HD2 PRO B 225 4.090 -5.555 -2.277 1.00 15.00 H new ATOM 0 HD3 PRO B 225 4.218 -6.896 -3.399 1.00 15.00 H new ATOM 634 N ALA B 226 7.427 -6.500 1.222 1.00 15.00 N ATOM 635 CA ALA B 226 7.513 -5.905 2.550 1.00 15.00 C ATOM 636 C ALA B 226 7.147 -4.426 2.464 1.00 15.00 C ATOM 637 O ALA B 226 7.169 -3.844 1.378 1.00 15.00 O ATOM 638 CB ALA B 226 8.911 -6.085 3.127 1.00 15.00 C ATOM 0 H ALA B 226 8.315 -6.839 0.851 1.00 15.00 H new ATOM 0 HA ALA B 226 6.812 -6.407 3.217 1.00 15.00 H new ATOM 0 HB1 ALA B 226 8.956 -5.635 4.119 1.00 15.00 H new ATOM 0 HB2 ALA B 226 9.140 -7.148 3.201 1.00 15.00 H new ATOM 0 HB3 ALA B 226 9.639 -5.601 2.475 1.00 15.00 H new ATOM 644 N TYR B 227 6.821 -3.800 3.587 1.00 15.00 N ATOM 645 CA TYR B 227 6.330 -2.439 3.520 1.00 15.00 C ATOM 646 C TYR B 227 7.463 -1.431 3.607 1.00 15.00 C ATOM 647 O TYR B 227 8.342 -1.502 4.469 1.00 15.00 O ATOM 648 CB TYR B 227 5.265 -2.140 4.585 1.00 15.00 C ATOM 649 CG TYR B 227 5.809 -1.698 5.932 1.00 15.00 C ATOM 650 CD1 TYR B 227 6.128 -2.623 6.915 1.00 15.00 C ATOM 651 CD2 TYR B 227 6.002 -0.349 6.219 1.00 15.00 C ATOM 652 CE1 TYR B 227 6.625 -2.219 8.140 1.00 15.00 C ATOM 653 CE2 TYR B 227 6.497 0.063 7.438 1.00 15.00 C ATOM 654 CZ TYR B 227 6.808 -0.877 8.397 1.00 15.00 C ATOM 655 OH TYR B 227 7.306 -0.482 9.617 1.00 15.00 O ATOM 0 H TYR B 227 6.886 -4.199 4.523 1.00 15.00 H new ATOM 0 HA TYR B 227 5.852 -2.340 2.546 1.00 15.00 H new ATOM 0 HB2 TYR B 227 4.602 -1.363 4.205 1.00 15.00 H new ATOM 0 HB3 TYR B 227 4.658 -3.034 4.731 1.00 15.00 H new ATOM 0 HD1 TYR B 227 5.986 -3.676 6.720 1.00 15.00 H new ATOM 0 HD2 TYR B 227 5.759 0.390 5.470 1.00 15.00 H new ATOM 0 HE1 TYR B 227 6.869 -2.953 8.894 1.00 15.00 H new ATOM 0 HE2 TYR B 227 6.640 1.114 7.640 1.00 15.00 H new ATOM 0 HH TYR B 227 7.377 0.495 9.641 1.00 15.00 H new ATOM 665 N LEU B 228 7.409 -0.505 2.684 1.00 15.00 N ATOM 666 CA LEU B 228 8.334 0.601 2.587 1.00 15.00 C ATOM 667 C LEU B 228 7.521 1.876 2.457 1.00 15.00 C ATOM 668 O LEU B 228 6.365 1.815 2.075 1.00 15.00 O ATOM 669 CB LEU B 228 9.258 0.425 1.376 1.00 15.00 C ATOM 670 CG LEU B 228 10.191 -0.789 1.432 1.00 15.00 C ATOM 671 CD1 LEU B 228 10.950 -0.937 0.124 1.00 15.00 C ATOM 672 CD2 LEU B 228 11.161 -0.660 2.596 1.00 15.00 C ATOM 0 H LEU B 228 6.697 -0.498 1.954 1.00 15.00 H new ATOM 0 HA LEU B 228 8.964 0.645 3.475 1.00 15.00 H new ATOM 0 HB2 LEU B 228 8.643 0.348 0.479 1.00 15.00 H new ATOM 0 HB3 LEU B 228 9.865 1.324 1.270 1.00 15.00 H new ATOM 0 HG LEU B 228 9.585 -1.683 1.583 1.00 15.00 H new ATOM 0 HD11 LEU B 228 11.608 -1.804 0.181 1.00 15.00 H new ATOM 0 HD12 LEU B 228 10.242 -1.072 -0.694 1.00 15.00 H new ATOM 0 HD13 LEU B 228 11.545 -0.041 -0.055 1.00 15.00 H new ATOM 0 HD21 LEU B 228 11.817 -1.530 2.622 1.00 15.00 H new ATOM 0 HD22 LEU B 228 11.760 0.242 2.472 1.00 15.00 H new ATOM 0 HD23 LEU B 228 10.602 -0.599 3.530 1.00 15.00 H new ATOM 684 N PRO B 229 8.083 3.049 2.728 1.00 15.00 N ATOM 685 CA PRO B 229 7.324 4.285 2.611 1.00 15.00 C ATOM 686 C PRO B 229 7.406 4.819 1.190 1.00 15.00 C ATOM 687 O PRO B 229 8.328 4.491 0.445 1.00 15.00 O ATOM 688 CB PRO B 229 8.051 5.245 3.572 1.00 15.00 C ATOM 689 CG PRO B 229 9.118 4.438 4.237 1.00 15.00 C ATOM 690 CD PRO B 229 9.386 3.262 3.344 1.00 15.00 C ATOM 0 HA PRO B 229 6.267 4.159 2.844 1.00 15.00 H new ATOM 0 HB2 PRO B 229 8.481 6.087 3.030 1.00 15.00 H new ATOM 0 HB3 PRO B 229 7.360 5.658 4.307 1.00 15.00 H new ATOM 0 HG2 PRO B 229 10.021 5.031 4.378 1.00 15.00 H new ATOM 0 HG3 PRO B 229 8.796 4.109 5.225 1.00 15.00 H new ATOM 0 HD2 PRO B 229 10.157 3.478 2.604 1.00 15.00 H new ATOM 0 HD3 PRO B 229 9.719 2.390 3.906 1.00 15.00 H new ATOM 698 N PRO B 230 6.441 5.661 0.798 1.00 15.00 N ATOM 699 CA PRO B 230 5.977 5.709 -0.578 1.00 15.00 C ATOM 700 C PRO B 230 6.733 6.666 -1.478 1.00 15.00 C ATOM 701 O PRO B 230 7.012 7.808 -1.119 1.00 15.00 O ATOM 702 CB PRO B 230 4.538 6.176 -0.397 1.00 15.00 C ATOM 703 CG PRO B 230 4.573 7.087 0.784 1.00 15.00 C ATOM 704 CD PRO B 230 5.730 6.643 1.643 1.00 15.00 C ATOM 0 HA PRO B 230 6.111 4.750 -1.078 1.00 15.00 H new ATOM 0 HB2 PRO B 230 4.177 6.695 -1.285 1.00 15.00 H new ATOM 0 HB3 PRO B 230 3.868 5.333 -0.226 1.00 15.00 H new ATOM 0 HG2 PRO B 230 4.700 8.123 0.469 1.00 15.00 H new ATOM 0 HG3 PRO B 230 3.637 7.035 1.340 1.00 15.00 H new ATOM 0 HD2 PRO B 230 6.374 7.481 1.911 1.00 15.00 H new ATOM 0 HD3 PRO B 230 5.387 6.194 2.575 1.00 15.00 H new ATOM 712 N GLU B 231 7.057 6.161 -2.659 1.00 15.00 N ATOM 713 CA GLU B 231 7.706 6.952 -3.684 1.00 15.00 C ATOM 714 C GLU B 231 6.701 7.293 -4.793 1.00 15.00 C ATOM 715 O GLU B 231 6.462 6.493 -5.692 1.00 15.00 O ATOM 716 CB GLU B 231 8.865 6.127 -4.249 1.00 15.00 C ATOM 717 CG GLU B 231 8.435 4.746 -4.762 1.00 15.00 C ATOM 718 CD GLU B 231 9.606 3.860 -5.135 1.00 15.00 C ATOM 719 OE1 GLU B 231 10.758 4.346 -5.118 1.00 15.00 O ATOM 720 OE2 GLU B 231 9.375 2.680 -5.470 1.00 15.00 O1- ATOM 0 H GLU B 231 6.877 5.194 -2.929 1.00 15.00 H new ATOM 0 HA GLU B 231 8.081 7.887 -3.268 1.00 15.00 H new ATOM 0 HB2 GLU B 231 9.332 6.680 -5.064 1.00 15.00 H new ATOM 0 HB3 GLU B 231 9.622 6.000 -3.475 1.00 15.00 H new ATOM 0 HG2 GLU B 231 7.841 4.249 -3.995 1.00 15.00 H new ATOM 0 HG3 GLU B 231 7.791 4.873 -5.632 1.00 15.00 H new