USER MOD reduce.3.24.130724 H: found=0, std=0, add=331, rem=0, adj=10 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 USER MOD Single : A 291 THR OG1 : rot -48:sc= 0.105 USER MOD Single : A 293 SER OG : rot -31:sc= 0.0286 USER MOD Single : A 297 TYR OH : rot 180:sc=-0.00329 USER MOD Single : A 301 HIS : no HE2:sc= -11.4! C(o=-11!,f=-5.1!) USER MOD Single : A 302 ASN : amide:sc= -0.839 K(o=-0.84,f=-0.0014) USER MOD Single : A 303 ASN : amide:sc= 0.0253 X(o=0.025,f=0) USER MOD Single : A 305 THR OG1 : rot 72:sc= 1.21 USER MOD Single : A 306 THR OG1 : rot 42:sc= 0.277 USER MOD Single : A 307 GLN : amide:sc= -0.592 K(o=-0.59,f=-1.8!) USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot 180:sc= -3.58! USER MOD Single : B 227 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N LEU A 282 -9.754 6.035 3.975 1.00 15.00 N ATOM 44 CA LEU A 282 -8.417 5.486 4.146 1.00 15.00 C ATOM 45 C LEU A 282 -8.051 5.501 5.627 1.00 15.00 C ATOM 46 O LEU A 282 -8.069 6.557 6.261 1.00 15.00 O ATOM 47 CB LEU A 282 -7.386 6.302 3.357 1.00 15.00 C ATOM 48 CG LEU A 282 -5.965 5.730 3.369 1.00 15.00 C ATOM 49 CD1 LEU A 282 -5.868 4.521 2.452 1.00 15.00 C ATOM 50 CD2 LEU A 282 -4.952 6.789 2.970 1.00 15.00 C ATOM 0 HA LEU A 282 -8.410 4.463 3.769 1.00 15.00 H new ATOM 0 HB2 LEU A 282 -7.721 6.381 2.323 1.00 15.00 H new ATOM 0 HB3 LEU A 282 -7.358 7.314 3.762 1.00 15.00 H new ATOM 0 HG LEU A 282 -5.736 5.409 4.385 1.00 15.00 H new ATOM 0 HD11 LEU A 282 -4.851 4.129 2.474 1.00 15.00 H new ATOM 0 HD12 LEU A 282 -6.561 3.751 2.790 1.00 15.00 H new ATOM 0 HD13 LEU A 282 -6.122 4.815 1.434 1.00 15.00 H new ATOM 0 HD21 LEU A 282 -3.951 6.359 2.986 1.00 15.00 H new ATOM 0 HD22 LEU A 282 -5.177 7.148 1.966 1.00 15.00 H new ATOM 0 HD23 LEU A 282 -5.000 7.622 3.672 1.00 15.00 H new ATOM 62 N PRO A 283 -7.736 4.334 6.206 1.00 15.00 N ATOM 63 CA PRO A 283 -7.348 4.229 7.618 1.00 15.00 C ATOM 64 C PRO A 283 -6.068 5.009 7.924 1.00 15.00 C ATOM 65 O PRO A 283 -5.146 5.050 7.107 1.00 15.00 O ATOM 66 CB PRO A 283 -7.125 2.725 7.822 1.00 15.00 C ATOM 67 CG PRO A 283 -7.839 2.068 6.691 1.00 15.00 C ATOM 68 CD PRO A 283 -7.743 3.024 5.540 1.00 15.00 C ATOM 0 HA PRO A 283 -8.104 4.650 8.281 1.00 15.00 H new ATOM 0 HB2 PRO A 283 -6.063 2.479 7.813 1.00 15.00 H new ATOM 0 HB3 PRO A 283 -7.521 2.395 8.783 1.00 15.00 H new ATOM 0 HG2 PRO A 283 -7.382 1.110 6.443 1.00 15.00 H new ATOM 0 HG3 PRO A 283 -8.879 1.868 6.948 1.00 15.00 H new ATOM 0 HD2 PRO A 283 -6.838 2.863 4.955 1.00 15.00 H new ATOM 0 HD3 PRO A 283 -8.587 2.922 4.857 1.00 15.00 H new ATOM 76 N PRO A 284 -6.003 5.643 9.104 1.00 15.00 N ATOM 77 CA PRO A 284 -4.820 6.397 9.537 1.00 15.00 C ATOM 78 C PRO A 284 -3.592 5.501 9.696 1.00 15.00 C ATOM 79 O PRO A 284 -3.645 4.469 10.371 1.00 15.00 O ATOM 80 CB PRO A 284 -5.237 6.983 10.892 1.00 15.00 C ATOM 81 CG PRO A 284 -6.366 6.127 11.354 1.00 15.00 C ATOM 82 CD PRO A 284 -7.079 5.682 10.110 1.00 15.00 C ATOM 0 HA PRO A 284 -4.531 7.153 8.807 1.00 15.00 H new ATOM 0 HB2 PRO A 284 -4.410 6.962 11.602 1.00 15.00 H new ATOM 0 HB3 PRO A 284 -5.546 8.024 10.793 1.00 15.00 H new ATOM 0 HG2 PRO A 284 -6.001 5.272 11.922 1.00 15.00 H new ATOM 0 HG3 PRO A 284 -7.035 6.683 12.010 1.00 15.00 H new ATOM 0 HD2 PRO A 284 -7.545 4.705 10.240 1.00 15.00 H new ATOM 0 HD3 PRO A 284 -7.870 6.377 9.828 1.00 15.00 H new ATOM 90 N GLY A 285 -2.491 5.901 9.073 1.00 15.00 N ATOM 91 CA GLY A 285 -1.273 5.114 9.131 1.00 15.00 C ATOM 92 C GLY A 285 -0.983 4.429 7.813 1.00 15.00 C ATOM 93 O GLY A 285 0.036 3.749 7.661 1.00 15.00 O ATOM 0 H GLY A 285 -2.419 6.759 8.527 1.00 15.00 H new ATOM 0 HA2 GLY A 285 -0.436 5.759 9.397 1.00 15.00 H new ATOM 0 HA3 GLY A 285 -1.361 4.365 9.918 1.00 15.00 H new ATOM 97 N TRP A 286 -1.869 4.635 6.849 1.00 15.00 N ATOM 98 CA TRP A 286 -1.757 3.982 5.557 1.00 15.00 C ATOM 99 C TRP A 286 -0.942 4.805 4.586 1.00 15.00 C ATOM 100 O TRP A 286 -1.359 5.878 4.152 1.00 15.00 O ATOM 101 CB TRP A 286 -3.145 3.701 4.968 1.00 15.00 C ATOM 102 CG TRP A 286 -3.754 2.455 5.521 1.00 15.00 C ATOM 103 CD1 TRP A 286 -3.841 2.104 6.837 1.00 15.00 C ATOM 104 CD2 TRP A 286 -4.330 1.379 4.774 1.00 15.00 C ATOM 105 NE1 TRP A 286 -4.424 0.869 6.956 1.00 15.00 N ATOM 106 CE2 TRP A 286 -4.730 0.400 5.709 1.00 15.00 C ATOM 107 CE3 TRP A 286 -4.546 1.133 3.408 1.00 15.00 C ATOM 108 CZ2 TRP A 286 -5.323 -0.797 5.329 1.00 15.00 C ATOM 109 CZ3 TRP A 286 -5.128 -0.064 3.043 1.00 15.00 C ATOM 110 CH2 TRP A 286 -5.506 -1.016 3.996 1.00 15.00 C ATOM 0 H TRP A 286 -2.676 5.252 6.940 1.00 15.00 H new ATOM 0 HA TRP A 286 -1.240 3.036 5.716 1.00 15.00 H new ATOM 0 HB2 TRP A 286 -3.802 4.546 5.173 1.00 15.00 H new ATOM 0 HB3 TRP A 286 -3.067 3.614 3.884 1.00 15.00 H new ATOM 0 HD1 TRP A 286 -3.501 2.710 7.663 1.00 15.00 H new ATOM 0 HE1 TRP A 286 -4.601 0.379 7.833 1.00 15.00 H new ATOM 0 HE3 TRP A 286 -4.264 1.862 2.663 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 -5.628 -1.528 6.063 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 -5.296 -0.271 1.996 1.00 15.00 H new ATOM 0 HH2 TRP A 286 -5.952 -1.944 3.669 1.00 15.00 H new ATOM 121 N GLU A 287 0.235 4.300 4.264 1.00 15.00 N ATOM 122 CA GLU A 287 1.066 4.902 3.251 1.00 15.00 C ATOM 123 C GLU A 287 0.863 4.142 1.956 1.00 15.00 C ATOM 124 O GLU A 287 1.007 2.918 1.918 1.00 15.00 O ATOM 125 CB GLU A 287 2.531 4.855 3.685 1.00 15.00 C ATOM 126 CG GLU A 287 3.190 6.221 3.780 1.00 15.00 C ATOM 127 CD GLU A 287 2.361 7.224 4.555 1.00 15.00 C ATOM 128 OE1 GLU A 287 2.281 7.110 5.795 1.00 15.00 O1- ATOM 129 OE2 GLU A 287 1.789 8.135 3.923 1.00 15.00 O ATOM 0 H GLU A 287 0.635 3.467 4.697 1.00 15.00 H new ATOM 0 HA GLU A 287 0.793 5.947 3.106 1.00 15.00 H new ATOM 0 HB2 GLU A 287 2.597 4.363 4.655 1.00 15.00 H new ATOM 0 HB3 GLU A 287 3.090 4.242 2.978 1.00 15.00 H new ATOM 0 HG2 GLU A 287 4.164 6.116 4.258 1.00 15.00 H new ATOM 0 HG3 GLU A 287 3.368 6.604 2.775 1.00 15.00 H new ATOM 136 N VAL A 288 0.520 4.848 0.898 1.00 15.00 N ATOM 137 CA VAL A 288 0.235 4.189 -0.357 1.00 15.00 C ATOM 138 C VAL A 288 1.511 4.062 -1.178 1.00 15.00 C ATOM 139 O VAL A 288 1.993 5.025 -1.773 1.00 15.00 O ATOM 140 CB VAL A 288 -0.878 4.910 -1.167 1.00 15.00 C ATOM 141 CG1 VAL A 288 -2.171 4.940 -0.374 1.00 15.00 C ATOM 142 CG2 VAL A 288 -0.485 6.326 -1.553 1.00 15.00 C ATOM 0 H VAL A 288 0.433 5.864 0.882 1.00 15.00 H new ATOM 0 HA VAL A 288 -0.145 3.193 -0.128 1.00 15.00 H new ATOM 0 HB VAL A 288 -1.021 4.342 -2.086 1.00 15.00 H new ATOM 0 HG11 VAL A 288 -2.942 5.448 -0.954 1.00 15.00 H new ATOM 0 HG12 VAL A 288 -2.491 3.920 -0.161 1.00 15.00 H new ATOM 0 HG13 VAL A 288 -2.011 5.474 0.563 1.00 15.00 H new ATOM 0 HG21 VAL A 288 -1.295 6.788 -2.117 1.00 15.00 H new ATOM 0 HG22 VAL A 288 -0.292 6.909 -0.652 1.00 15.00 H new ATOM 0 HG23 VAL A 288 0.415 6.299 -2.167 1.00 15.00 H new ATOM 152 N ARG A 289 2.086 2.874 -1.196 1.00 15.00 N ATOM 153 CA ARG A 289 3.298 2.684 -1.950 1.00 15.00 C ATOM 154 C ARG A 289 2.897 2.267 -3.351 1.00 15.00 C ATOM 155 O ARG A 289 2.620 1.106 -3.628 1.00 15.00 O ATOM 156 CB ARG A 289 4.234 1.672 -1.270 1.00 15.00 C ATOM 157 CG ARG A 289 5.726 1.904 -1.526 1.00 15.00 C ATOM 158 CD ARG A 289 6.124 1.694 -2.980 1.00 15.00 C ATOM 159 NE ARG A 289 7.572 1.823 -3.178 1.00 15.00 N ATOM 160 CZ ARG A 289 8.345 0.847 -3.667 1.00 15.00 C ATOM 161 NH1 ARG A 289 7.821 -0.335 -3.953 1.00 15.00 N1+ ATOM 162 NH2 ARG A 289 9.644 1.049 -3.853 1.00 15.00 N ATOM 0 H ARG A 289 1.740 2.048 -0.708 1.00 15.00 H new ATOM 0 HA ARG A 289 3.872 3.609 -1.998 1.00 15.00 H new ATOM 0 HB2 ARG A 289 4.056 1.699 -0.195 1.00 15.00 H new ATOM 0 HB3 ARG A 289 3.973 0.670 -1.611 1.00 15.00 H new ATOM 0 HG2 ARG A 289 5.986 2.920 -1.228 1.00 15.00 H new ATOM 0 HG3 ARG A 289 6.305 1.229 -0.896 1.00 15.00 H new ATOM 0 HD2 ARG A 289 5.800 0.705 -3.305 1.00 15.00 H new ATOM 0 HD3 ARG A 289 5.606 2.421 -3.606 1.00 15.00 H new ATOM 0 HE ARG A 289 8.015 2.707 -2.929 1.00 15.00 H new ATOM 0 HH11 ARG A 289 6.826 -0.502 -3.801 1.00 15.00 H new ATOM 0 HH12 ARG A 289 8.412 -1.078 -4.326 1.00 15.00 H new ATOM 0 HH21 ARG A 289 10.058 1.952 -3.623 1.00 15.00 H new ATOM 0 HH22 ARG A 289 10.228 0.301 -4.226 1.00 15.00 H new ATOM 176 N SER A 290 2.749 3.268 -4.188 1.00 15.00 N ATOM 177 CA SER A 290 2.312 3.082 -5.551 1.00 15.00 C ATOM 178 C SER A 290 3.521 3.008 -6.460 1.00 15.00 C ATOM 179 O SER A 290 4.561 3.599 -6.167 1.00 15.00 O ATOM 180 CB SER A 290 1.404 4.250 -5.940 1.00 15.00 C ATOM 181 OG SER A 290 1.040 4.209 -7.311 1.00 15.00 O ATOM 0 H SER A 290 2.930 4.241 -3.940 1.00 15.00 H new ATOM 0 HA SER A 290 1.752 2.152 -5.650 1.00 15.00 H new ATOM 0 HB2 SER A 290 0.504 4.229 -5.326 1.00 15.00 H new ATOM 0 HB3 SER A 290 1.913 5.190 -5.728 1.00 15.00 H new ATOM 0 HG SER A 290 0.459 4.971 -7.518 1.00 15.00 H new ATOM 187 N THR A 291 3.394 2.273 -7.544 1.00 15.00 N ATOM 188 CA THR A 291 4.473 2.145 -8.495 1.00 15.00 C ATOM 189 C THR A 291 3.941 2.284 -9.918 1.00 15.00 C ATOM 190 O THR A 291 2.862 1.766 -10.237 1.00 15.00 O ATOM 191 CB THR A 291 5.202 0.792 -8.331 1.00 15.00 C ATOM 192 OG1 THR A 291 4.263 -0.289 -8.438 1.00 15.00 O ATOM 193 CG2 THR A 291 5.914 0.704 -6.982 1.00 15.00 C ATOM 0 H THR A 291 2.550 1.754 -7.788 1.00 15.00 H new ATOM 0 HA THR A 291 5.190 2.943 -8.302 1.00 15.00 H new ATOM 0 HB THR A 291 5.947 0.719 -9.124 1.00 15.00 H new ATOM 0 HG1 THR A 291 3.484 -0.102 -7.874 1.00 15.00 H new ATOM 0 HG21 THR A 291 6.417 -0.259 -6.898 1.00 15.00 H new ATOM 0 HG22 THR A 291 6.649 1.505 -6.906 1.00 15.00 H new ATOM 0 HG23 THR A 291 5.184 0.804 -6.178 1.00 15.00 H new ATOM 201 N VAL A 292 4.705 2.970 -10.772 1.00 15.00 N ATOM 202 CA VAL A 292 4.337 3.163 -12.178 1.00 15.00 C ATOM 203 C VAL A 292 4.199 1.824 -12.899 1.00 15.00 C ATOM 204 O VAL A 292 3.662 1.749 -14.004 1.00 15.00 O ATOM 205 CB VAL A 292 5.359 4.050 -12.927 1.00 15.00 C ATOM 206 CG1 VAL A 292 5.379 5.453 -12.342 1.00 15.00 C ATOM 207 CG2 VAL A 292 6.748 3.432 -12.886 1.00 15.00 C ATOM 0 H VAL A 292 5.590 3.405 -10.511 1.00 15.00 H new ATOM 0 HA VAL A 292 3.374 3.673 -12.181 1.00 15.00 H new ATOM 0 HB VAL A 292 5.050 4.116 -13.970 1.00 15.00 H new ATOM 0 HG11 VAL A 292 6.104 6.062 -12.882 1.00 15.00 H new ATOM 0 HG12 VAL A 292 4.389 5.900 -12.434 1.00 15.00 H new ATOM 0 HG13 VAL A 292 5.658 5.404 -11.290 1.00 15.00 H new ATOM 0 HG21 VAL A 292 7.448 4.075 -13.420 1.00 15.00 H new ATOM 0 HG22 VAL A 292 7.069 3.327 -11.850 1.00 15.00 H new ATOM 0 HG23 VAL A 292 6.724 2.450 -13.359 1.00 15.00 H new ATOM 217 N SER A 293 4.715 0.779 -12.258 1.00 15.00 N ATOM 218 CA SER A 293 4.528 -0.601 -12.692 1.00 15.00 C ATOM 219 C SER A 293 3.033 -0.932 -12.851 1.00 15.00 C ATOM 220 O SER A 293 2.666 -1.957 -13.429 1.00 15.00 O ATOM 221 CB SER A 293 5.176 -1.536 -11.665 1.00 15.00 C ATOM 222 OG SER A 293 5.282 -2.865 -12.139 1.00 15.00 O ATOM 0 H SER A 293 5.281 0.868 -11.414 1.00 15.00 H new ATOM 0 HA SER A 293 5.001 -0.737 -13.665 1.00 15.00 H new ATOM 0 HB2 SER A 293 6.168 -1.163 -11.413 1.00 15.00 H new ATOM 0 HB3 SER A 293 4.589 -1.526 -10.747 1.00 15.00 H new ATOM 0 HG SER A 293 4.538 -3.056 -12.747 1.00 15.00 H new ATOM 228 N GLY A 294 2.177 -0.075 -12.300 1.00 15.00 N ATOM 229 CA GLY A 294 0.748 -0.241 -12.452 1.00 15.00 C ATOM 230 C GLY A 294 0.153 -1.082 -11.352 1.00 15.00 C ATOM 231 O GLY A 294 -0.732 -1.901 -11.595 1.00 15.00 O ATOM 0 H GLY A 294 2.454 0.736 -11.747 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.269 0.738 -12.458 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.538 -0.705 -13.416 1.00 15.00 H new ATOM 235 N ARG A 295 0.659 -0.899 -10.142 1.00 15.00 N ATOM 236 CA ARG A 295 0.148 -1.619 -8.988 1.00 15.00 C ATOM 237 C ARG A 295 0.310 -0.791 -7.715 1.00 15.00 C ATOM 238 O ARG A 295 1.423 -0.393 -7.351 1.00 15.00 O ATOM 239 CB ARG A 295 0.834 -2.991 -8.861 1.00 15.00 C ATOM 240 CG ARG A 295 2.354 -2.936 -8.842 1.00 15.00 C ATOM 241 CD ARG A 295 2.964 -4.213 -9.400 1.00 15.00 C ATOM 242 NE ARG A 295 2.742 -4.333 -10.846 1.00 15.00 N ATOM 243 CZ ARG A 295 3.216 -5.329 -11.600 1.00 15.00 C ATOM 244 NH1 ARG A 295 3.893 -6.326 -11.051 1.00 15.00 N1+ ATOM 245 NH2 ARG A 295 3.003 -5.331 -12.912 1.00 15.00 N ATOM 0 H ARG A 295 1.424 -0.257 -9.935 1.00 15.00 H new ATOM 0 HA ARG A 295 -0.919 -1.792 -9.132 1.00 15.00 H new ATOM 0 HB2 ARG A 295 0.489 -3.473 -7.946 1.00 15.00 H new ATOM 0 HB3 ARG A 295 0.516 -3.621 -9.692 1.00 15.00 H new ATOM 0 HG2 ARG A 295 2.696 -2.082 -9.427 1.00 15.00 H new ATOM 0 HG3 ARG A 295 2.701 -2.782 -7.820 1.00 15.00 H new ATOM 0 HD2 ARG A 295 4.034 -4.226 -9.194 1.00 15.00 H new ATOM 0 HD3 ARG A 295 2.531 -5.075 -8.892 1.00 15.00 H new ATOM 0 HE ARG A 295 2.190 -3.609 -11.305 1.00 15.00 H new ATOM 0 HH11 ARG A 295 4.056 -6.338 -10.044 1.00 15.00 H new ATOM 0 HH12 ARG A 295 4.251 -7.082 -11.635 1.00 15.00 H new ATOM 0 HH21 ARG A 295 2.477 -4.572 -13.344 1.00 15.00 H new ATOM 0 HH22 ARG A 295 3.365 -6.092 -13.486 1.00 15.00 H new ATOM 259 N ILE A 296 -0.814 -0.503 -7.067 1.00 15.00 N ATOM 260 CA ILE A 296 -0.805 0.139 -5.760 1.00 15.00 C ATOM 261 C ILE A 296 -0.765 -0.968 -4.712 1.00 15.00 C ATOM 262 O ILE A 296 -1.416 -2.005 -4.875 1.00 15.00 O ATOM 263 CB ILE A 296 -2.045 1.072 -5.569 1.00 15.00 C ATOM 264 CG1 ILE A 296 -1.784 2.165 -4.511 1.00 15.00 C ATOM 265 CG2 ILE A 296 -3.293 0.273 -5.206 1.00 15.00 C ATOM 266 CD1 ILE A 296 -1.931 1.712 -3.071 1.00 15.00 C ATOM 0 H ILE A 296 -1.746 -0.706 -7.429 1.00 15.00 H new ATOM 0 HA ILE A 296 0.069 0.783 -5.660 1.00 15.00 H new ATOM 0 HB ILE A 296 -2.217 1.564 -6.526 1.00 15.00 H new ATOM 0 HG12 ILE A 296 -0.775 2.553 -4.653 1.00 15.00 H new ATOM 0 HG13 ILE A 296 -2.472 2.992 -4.688 1.00 15.00 H new ATOM 0 HG21 ILE A 296 -4.136 0.952 -5.081 1.00 15.00 H new ATOM 0 HG22 ILE A 296 -3.515 -0.437 -6.002 1.00 15.00 H new ATOM 0 HG23 ILE A 296 -3.121 -0.268 -4.275 1.00 15.00 H new ATOM 0 HD11 ILE A 296 -1.728 2.550 -2.404 1.00 15.00 H new ATOM 0 HD12 ILE A 296 -2.947 1.353 -2.904 1.00 15.00 H new ATOM 0 HD13 ILE A 296 -1.224 0.907 -2.869 1.00 15.00 H new ATOM 278 N TYR A 297 0.018 -0.786 -3.668 1.00 15.00 N ATOM 279 CA TYR A 297 0.259 -1.874 -2.743 1.00 15.00 C ATOM 280 C TYR A 297 0.514 -1.282 -1.388 1.00 15.00 C ATOM 281 O TYR A 297 1.276 -0.315 -1.237 1.00 15.00 O ATOM 282 CB TYR A 297 1.378 -2.834 -3.215 1.00 15.00 C ATOM 283 CG TYR A 297 2.796 -2.519 -2.783 1.00 15.00 C ATOM 284 CD1 TYR A 297 3.558 -1.585 -3.458 1.00 15.00 C ATOM 285 CD2 TYR A 297 3.383 -3.189 -1.710 1.00 15.00 C ATOM 286 CE1 TYR A 297 4.856 -1.314 -3.076 1.00 15.00 C ATOM 287 CE2 TYR A 297 4.679 -2.922 -1.324 1.00 15.00 C ATOM 288 CZ TYR A 297 5.410 -1.985 -2.009 1.00 15.00 C ATOM 289 OH TYR A 297 6.699 -1.705 -1.621 1.00 15.00 O ATOM 0 H TYR A 297 0.491 0.089 -3.441 1.00 15.00 H new ATOM 0 HA TYR A 297 -0.623 -2.512 -2.694 1.00 15.00 H new ATOM 0 HB2 TYR A 297 1.133 -3.836 -2.862 1.00 15.00 H new ATOM 0 HB3 TYR A 297 1.357 -2.866 -4.304 1.00 15.00 H new ATOM 0 HD1 TYR A 297 3.131 -1.058 -4.298 1.00 15.00 H new ATOM 0 HD2 TYR A 297 2.812 -3.931 -1.172 1.00 15.00 H new ATOM 0 HE1 TYR A 297 5.436 -0.578 -3.613 1.00 15.00 H new ATOM 0 HE2 TYR A 297 5.116 -3.447 -0.488 1.00 15.00 H new ATOM 0 HH TYR A 297 6.938 -2.264 -0.852 1.00 15.00 H new ATOM 299 N PHE A 298 -0.150 -1.828 -0.415 1.00 15.00 N ATOM 300 CA PHE A 298 -0.244 -1.180 0.838 1.00 15.00 C ATOM 301 C PHE A 298 0.830 -1.518 1.809 1.00 15.00 C ATOM 302 O PHE A 298 1.109 -2.686 2.082 1.00 15.00 O ATOM 303 CB PHE A 298 -1.592 -1.399 1.437 1.00 15.00 C ATOM 304 CG PHE A 298 -2.354 -0.184 1.196 1.00 15.00 C ATOM 305 CD1 PHE A 298 -1.913 0.988 1.770 1.00 15.00 C ATOM 306 CD2 PHE A 298 -3.454 -0.174 0.371 1.00 15.00 C ATOM 307 CE1 PHE A 298 -2.560 2.154 1.538 1.00 15.00 C ATOM 308 CE2 PHE A 298 -4.113 0.999 0.139 1.00 15.00 C ATOM 309 CZ PHE A 298 -3.659 2.153 0.727 1.00 15.00 C ATOM 0 H PHE A 298 -0.633 -2.724 -0.475 1.00 15.00 H new ATOM 0 HA PHE A 298 -0.098 -0.121 0.624 1.00 15.00 H new ATOM 0 HB2 PHE A 298 -2.082 -2.261 0.984 1.00 15.00 H new ATOM 0 HB3 PHE A 298 -1.513 -1.602 2.505 1.00 15.00 H new ATOM 0 HD1 PHE A 298 -1.044 0.976 2.411 1.00 15.00 H new ATOM 0 HD2 PHE A 298 -3.795 -1.089 -0.091 1.00 15.00 H new ATOM 0 HE1 PHE A 298 -2.212 3.072 1.988 1.00 15.00 H new ATOM 0 HE2 PHE A 298 -4.983 1.019 -0.501 1.00 15.00 H new ATOM 0 HZ PHE A 298 -4.182 3.080 0.545 1.00 15.00 H new ATOM 319 N VAL A 299 1.375 -0.442 2.357 1.00 15.00 N ATOM 320 CA VAL A 299 2.400 -0.480 3.342 1.00 15.00 C ATOM 321 C VAL A 299 2.028 0.487 4.475 1.00 15.00 C ATOM 322 O VAL A 299 2.295 1.693 4.425 1.00 15.00 O ATOM 323 CB VAL A 299 3.758 -0.096 2.707 1.00 15.00 C ATOM 324 CG1 VAL A 299 4.197 -1.156 1.703 1.00 15.00 C ATOM 325 CG2 VAL A 299 3.660 1.249 2.008 1.00 15.00 C ATOM 0 H VAL A 299 1.093 0.506 2.107 1.00 15.00 H new ATOM 0 HA VAL A 299 2.495 -1.487 3.748 1.00 15.00 H new ATOM 0 HB VAL A 299 4.496 -0.031 3.506 1.00 15.00 H new ATOM 0 HG11 VAL A 299 5.154 -0.869 1.266 1.00 15.00 H new ATOM 0 HG12 VAL A 299 4.302 -2.115 2.209 1.00 15.00 H new ATOM 0 HG13 VAL A 299 3.449 -1.242 0.914 1.00 15.00 H new ATOM 0 HG21 VAL A 299 4.625 1.501 1.568 1.00 15.00 H new ATOM 0 HG22 VAL A 299 2.906 1.197 1.223 1.00 15.00 H new ATOM 0 HG23 VAL A 299 3.379 2.015 2.731 1.00 15.00 H new ATOM 335 N ASP A 300 1.356 -0.025 5.482 1.00 15.00 N ATOM 336 CA ASP A 300 1.025 0.802 6.627 1.00 15.00 C ATOM 337 C ASP A 300 2.160 0.699 7.621 1.00 15.00 C ATOM 338 O ASP A 300 2.556 -0.399 8.012 1.00 15.00 O ATOM 339 CB ASP A 300 -0.325 0.398 7.245 1.00 15.00 C ATOM 340 CG ASP A 300 -0.283 0.290 8.766 1.00 15.00 C ATOM 341 OD1 ASP A 300 -0.038 1.307 9.442 1.00 15.00 O1- ATOM 342 OD2 ASP A 300 -0.478 -0.823 9.289 1.00 15.00 O ATOM 0 H ASP A 300 1.032 -0.991 5.535 1.00 15.00 H new ATOM 0 HA ASP A 300 0.908 1.840 6.316 1.00 15.00 H new ATOM 0 HB2 ASP A 300 -1.081 1.130 6.960 1.00 15.00 H new ATOM 0 HB3 ASP A 300 -0.636 -0.560 6.828 1.00 15.00 H new ATOM 347 N HIS A 301 2.699 1.851 7.998 1.00 15.00 N ATOM 348 CA HIS A 301 3.947 1.901 8.745 1.00 15.00 C ATOM 349 C HIS A 301 3.721 1.682 10.235 1.00 15.00 C ATOM 350 O HIS A 301 4.676 1.481 10.983 1.00 15.00 O ATOM 351 CB HIS A 301 4.666 3.243 8.539 1.00 15.00 C ATOM 352 CG HIS A 301 5.056 3.557 7.121 1.00 15.00 C ATOM 353 ND1 HIS A 301 5.171 4.840 6.644 1.00 15.00 N ATOM 354 CD2 HIS A 301 5.425 2.754 6.097 1.00 15.00 C ATOM 355 CE1 HIS A 301 5.599 4.810 5.397 1.00 15.00 C ATOM 356 NE2 HIS A 301 5.768 3.553 5.038 1.00 15.00 N ATOM 0 H HIS A 301 2.290 2.764 7.798 1.00 15.00 H new ATOM 0 HA HIS A 301 4.571 1.094 8.361 1.00 15.00 H new ATOM 0 HB2 HIS A 301 4.020 4.041 8.905 1.00 15.00 H new ATOM 0 HB3 HIS A 301 5.565 3.252 9.155 1.00 15.00 H new ATOM 0 HD1 HIS A 301 4.958 5.686 7.173 1.00 15.00 H new ATOM 0 HD2 HIS A 301 5.446 1.674 6.112 1.00 15.00 H new ATOM 0 HE1 HIS A 301 5.781 5.673 4.773 1.00 15.00 H new ATOM 365 N ASN A 302 2.467 1.721 10.665 1.00 15.00 N ATOM 366 CA ASN A 302 2.153 1.616 12.083 1.00 15.00 C ATOM 367 C ASN A 302 2.016 0.155 12.498 1.00 15.00 C ATOM 368 O ASN A 302 2.817 -0.359 13.278 1.00 15.00 O ATOM 369 CB ASN A 302 0.860 2.376 12.403 1.00 15.00 C ATOM 370 CG ASN A 302 0.546 2.415 13.890 1.00 15.00 C ATOM 371 OD1 ASN A 302 -0.620 2.382 14.291 1.00 15.00 O ATOM 372 ND2 ASN A 302 1.575 2.512 14.721 1.00 15.00 N ATOM 0 H ASN A 302 1.655 1.824 10.056 1.00 15.00 H new ATOM 0 HA ASN A 302 2.973 2.062 12.646 1.00 15.00 H new ATOM 0 HB2 ASN A 302 0.942 3.396 12.028 1.00 15.00 H new ATOM 0 HB3 ASN A 302 0.030 1.908 11.874 1.00 15.00 H new ATOM 0 HD21 ASN A 302 1.415 2.562 15.727 1.00 15.00 H new ATOM 0 HD22 ASN A 302 2.526 2.537 14.354 1.00 15.00 H new ATOM 379 N ASN A 303 1.011 -0.509 11.951 1.00 15.00 N ATOM 380 CA ASN A 303 0.721 -1.901 12.297 1.00 15.00 C ATOM 381 C ASN A 303 1.457 -2.842 11.361 1.00 15.00 C ATOM 382 O ASN A 303 1.567 -4.040 11.623 1.00 15.00 O ATOM 383 CB ASN A 303 -0.782 -2.186 12.188 1.00 15.00 C ATOM 384 CG ASN A 303 -1.638 -1.057 12.717 1.00 15.00 C ATOM 385 OD1 ASN A 303 -2.013 -1.039 13.888 1.00 15.00 O ATOM 386 ND2 ASN A 303 -1.958 -0.105 11.850 1.00 15.00 N ATOM 0 H ASN A 303 0.376 -0.108 11.261 1.00 15.00 H new ATOM 0 HA ASN A 303 1.051 -2.062 13.323 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -1.037 -2.369 11.144 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -1.014 -3.098 12.737 1.00 15.00 H new ATOM 0 HD21 ASN A 303 -2.537 0.681 12.146 1.00 15.00 H new ATOM 0 HD22 ASN A 303 -1.625 -0.159 10.887 1.00 15.00 H new ATOM 393 N ARG A 304 1.941 -2.275 10.266 1.00 15.00 N ATOM 394 CA ARG A 304 2.428 -3.031 9.126 1.00 15.00 C ATOM 395 C ARG A 304 1.275 -3.773 8.470 1.00 15.00 C ATOM 396 O ARG A 304 0.993 -4.931 8.778 1.00 15.00 O ATOM 397 CB ARG A 304 3.571 -3.991 9.473 1.00 15.00 C ATOM 398 CG ARG A 304 3.998 -4.843 8.288 1.00 15.00 C ATOM 399 CD ARG A 304 5.232 -5.671 8.594 1.00 15.00 C ATOM 400 NE ARG A 304 5.530 -6.606 7.509 1.00 15.00 N ATOM 401 CZ ARG A 304 6.509 -7.510 7.551 1.00 15.00 C ATOM 402 NH1 ARG A 304 7.270 -7.618 8.631 1.00 15.00 N1+ ATOM 403 NH2 ARG A 304 6.718 -8.312 6.514 1.00 15.00 N ATOM 0 H ARG A 304 2.007 -1.264 10.144 1.00 15.00 H new ATOM 0 HA ARG A 304 2.850 -2.312 8.424 1.00 15.00 H new ATOM 0 HB2 ARG A 304 4.426 -3.418 9.831 1.00 15.00 H new ATOM 0 HB3 ARG A 304 3.259 -4.642 10.290 1.00 15.00 H new ATOM 0 HG2 ARG A 304 3.179 -5.505 8.004 1.00 15.00 H new ATOM 0 HG3 ARG A 304 4.198 -4.198 7.432 1.00 15.00 H new ATOM 0 HD2 ARG A 304 6.085 -5.011 8.752 1.00 15.00 H new ATOM 0 HD3 ARG A 304 5.080 -6.224 9.521 1.00 15.00 H new ATOM 0 HE ARG A 304 4.953 -6.564 6.669 1.00 15.00 H new ATOM 0 HH11 ARG A 304 7.107 -7.009 9.433 1.00 15.00 H new ATOM 0 HH12 ARG A 304 8.018 -8.311 8.660 1.00 15.00 H new ATOM 0 HH21 ARG A 304 6.129 -8.237 5.684 1.00 15.00 H new ATOM 0 HH22 ARG A 304 7.467 -9.003 6.547 1.00 15.00 H new ATOM 417 N THR A 305 0.571 -3.063 7.614 1.00 15.00 N ATOM 418 CA THR A 305 -0.526 -3.645 6.866 1.00 15.00 C ATOM 419 C THR A 305 -0.171 -3.706 5.388 1.00 15.00 C ATOM 420 O THR A 305 0.004 -2.673 4.742 1.00 15.00 O ATOM 421 CB THR A 305 -1.828 -2.842 7.054 1.00 15.00 C ATOM 422 OG1 THR A 305 -2.101 -2.678 8.452 1.00 15.00 O ATOM 423 CG2 THR A 305 -3.005 -3.542 6.389 1.00 15.00 C ATOM 0 H THR A 305 0.739 -2.076 7.417 1.00 15.00 H new ATOM 0 HA THR A 305 -0.692 -4.653 7.247 1.00 15.00 H new ATOM 0 HB THR A 305 -1.694 -1.867 6.586 1.00 15.00 H new ATOM 0 HG1 THR A 305 -1.460 -2.046 8.839 1.00 15.00 H new ATOM 0 HG21 THR A 305 -3.910 -2.953 6.538 1.00 15.00 H new ATOM 0 HG22 THR A 305 -2.811 -3.646 5.321 1.00 15.00 H new ATOM 0 HG23 THR A 305 -3.138 -4.529 6.831 1.00 15.00 H new ATOM 431 N THR A 306 -0.032 -4.917 4.872 1.00 15.00 N ATOM 432 CA THR A 306 0.330 -5.122 3.480 1.00 15.00 C ATOM 433 C THR A 306 -0.843 -5.692 2.691 1.00 15.00 C ATOM 434 O THR A 306 -1.226 -6.848 2.882 1.00 15.00 O ATOM 435 CB THR A 306 1.544 -6.063 3.373 1.00 15.00 C ATOM 436 OG1 THR A 306 1.319 -7.239 4.163 1.00 15.00 O ATOM 437 CG2 THR A 306 2.812 -5.367 3.844 1.00 15.00 C ATOM 0 H THR A 306 -0.166 -5.778 5.402 1.00 15.00 H new ATOM 0 HA THR A 306 0.594 -4.154 3.054 1.00 15.00 H new ATOM 0 HB THR A 306 1.670 -6.343 2.327 1.00 15.00 H new ATOM 0 HG1 THR A 306 0.393 -7.537 4.049 1.00 15.00 H new ATOM 0 HG21 THR A 306 3.656 -6.052 3.759 1.00 15.00 H new ATOM 0 HG22 THR A 306 2.995 -4.487 3.227 1.00 15.00 H new ATOM 0 HG23 THR A 306 2.695 -5.063 4.884 1.00 15.00 H new ATOM 445 N GLN A 307 -1.418 -4.877 1.811 1.00 15.00 N ATOM 446 CA GLN A 307 -2.616 -5.290 1.059 1.00 15.00 C ATOM 447 C GLN A 307 -2.604 -4.749 -0.368 1.00 15.00 C ATOM 448 O GLN A 307 -2.277 -3.600 -0.592 1.00 15.00 O ATOM 449 CB GLN A 307 -3.891 -4.800 1.757 1.00 15.00 C ATOM 450 CG GLN A 307 -4.123 -5.397 3.136 1.00 15.00 C ATOM 451 CD GLN A 307 -5.500 -5.077 3.686 1.00 15.00 C ATOM 452 OE1 GLN A 307 -6.081 -4.042 3.374 1.00 15.00 O ATOM 453 NE2 GLN A 307 -6.031 -5.964 4.509 1.00 15.00 N ATOM 0 H GLN A 307 -1.085 -3.937 1.597 1.00 15.00 H new ATOM 0 HA GLN A 307 -2.604 -6.379 1.024 1.00 15.00 H new ATOM 0 HB2 GLN A 307 -3.847 -3.715 1.847 1.00 15.00 H new ATOM 0 HB3 GLN A 307 -4.748 -5.032 1.125 1.00 15.00 H new ATOM 0 HG2 GLN A 307 -3.998 -6.479 3.085 1.00 15.00 H new ATOM 0 HG3 GLN A 307 -3.365 -5.021 3.823 1.00 15.00 H new ATOM 0 HE21 GLN A 307 -5.517 -6.813 4.745 1.00 15.00 H new ATOM 0 HE22 GLN A 307 -6.955 -5.800 4.909 1.00 15.00 H new ATOM 462 N PHE A 308 -3.005 -5.567 -1.329 1.00 15.00 N ATOM 463 CA PHE A 308 -3.114 -5.108 -2.712 1.00 15.00 C ATOM 464 C PHE A 308 -4.442 -4.403 -2.960 1.00 15.00 C ATOM 465 O PHE A 308 -4.619 -3.730 -3.976 1.00 15.00 O ATOM 466 CB PHE A 308 -2.936 -6.256 -3.708 1.00 15.00 C ATOM 467 CG PHE A 308 -1.510 -6.464 -4.124 1.00 15.00 C ATOM 468 CD1 PHE A 308 -0.757 -5.393 -4.577 1.00 15.00 C ATOM 469 CD2 PHE A 308 -0.924 -7.718 -4.079 1.00 15.00 C ATOM 470 CE1 PHE A 308 0.553 -5.565 -4.974 1.00 15.00 C ATOM 471 CE2 PHE A 308 0.384 -7.892 -4.473 1.00 15.00 C ATOM 472 CZ PHE A 308 1.122 -6.816 -4.919 1.00 15.00 C ATOM 0 H PHE A 308 -3.259 -6.544 -1.183 1.00 15.00 H new ATOM 0 HA PHE A 308 -2.306 -4.394 -2.870 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -3.315 -7.176 -3.263 1.00 15.00 H new ATOM 0 HB3 PHE A 308 -3.540 -6.057 -4.593 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -1.202 -4.410 -4.620 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -1.497 -8.565 -3.732 1.00 15.00 H new ATOM 0 HE1 PHE A 308 1.129 -4.722 -5.326 1.00 15.00 H new ATOM 0 HE2 PHE A 308 0.833 -8.873 -4.433 1.00 15.00 H new ATOM 0 HZ PHE A 308 2.148 -6.956 -5.226 1.00 15.00 H new ATOM 482 N THR A 309 -5.379 -4.577 -2.044 1.00 15.00 N ATOM 483 CA THR A 309 -6.672 -3.932 -2.158 1.00 15.00 C ATOM 484 C THR A 309 -6.615 -2.531 -1.545 1.00 15.00 C ATOM 485 O THR A 309 -5.966 -2.321 -0.519 1.00 15.00 O ATOM 486 CB THR A 309 -7.780 -4.777 -1.481 1.00 15.00 C ATOM 487 OG1 THR A 309 -9.071 -4.214 -1.747 1.00 15.00 O ATOM 488 CG2 THR A 309 -7.565 -4.877 0.024 1.00 15.00 C ATOM 0 H THR A 309 -5.267 -5.159 -1.214 1.00 15.00 H new ATOM 0 HA THR A 309 -6.919 -3.845 -3.216 1.00 15.00 H new ATOM 0 HB THR A 309 -7.729 -5.781 -1.901 1.00 15.00 H new ATOM 0 HG1 THR A 309 -9.761 -4.759 -1.315 1.00 15.00 H new ATOM 0 HG21 THR A 309 -8.361 -5.477 0.466 1.00 15.00 H new ATOM 0 HG22 THR A 309 -6.602 -5.348 0.224 1.00 15.00 H new ATOM 0 HG23 THR A 309 -7.578 -3.878 0.461 1.00 15.00 H new ATOM 496 N ASP A 310 -7.264 -1.573 -2.192 1.00 15.00 N ATOM 497 CA ASP A 310 -7.279 -0.198 -1.705 1.00 15.00 C ATOM 498 C ASP A 310 -8.708 0.208 -1.361 1.00 15.00 C ATOM 499 O ASP A 310 -9.597 0.153 -2.208 1.00 15.00 O ATOM 500 CB ASP A 310 -6.663 0.751 -2.757 1.00 15.00 C ATOM 501 CG ASP A 310 -6.560 2.211 -2.306 1.00 15.00 C ATOM 502 OD1 ASP A 310 -7.203 2.591 -1.309 1.00 15.00 O ATOM 503 OD2 ASP A 310 -5.839 2.994 -2.971 1.00 15.00 O1- ATOM 0 H ASP A 310 -7.787 -1.721 -3.055 1.00 15.00 H new ATOM 0 HA ASP A 310 -6.674 -0.127 -0.801 1.00 15.00 H new ATOM 0 HB2 ASP A 310 -5.667 0.391 -3.014 1.00 15.00 H new ATOM 0 HB3 ASP A 310 -7.263 0.705 -3.666 1.00 15.00 H new ATOM 508 N PRO A 311 -8.939 0.604 -0.097 1.00 15.00 N ATOM 509 CA PRO A 311 -10.266 0.983 0.398 1.00 15.00 C ATOM 510 C PRO A 311 -10.782 2.297 -0.192 1.00 15.00 C ATOM 511 O PRO A 311 -11.967 2.619 -0.064 1.00 15.00 O ATOM 512 CB PRO A 311 -10.052 1.120 1.910 1.00 15.00 C ATOM 513 CG PRO A 311 -8.614 1.467 2.049 1.00 15.00 C ATOM 514 CD PRO A 311 -7.911 0.711 0.957 1.00 15.00 C ATOM 0 HA PRO A 311 -11.020 0.248 0.118 1.00 15.00 H new ATOM 0 HB2 PRO A 311 -10.691 1.895 2.333 1.00 15.00 H new ATOM 0 HB3 PRO A 311 -10.289 0.192 2.431 1.00 15.00 H new ATOM 0 HG2 PRO A 311 -8.458 2.541 1.946 1.00 15.00 H new ATOM 0 HG3 PRO A 311 -8.235 1.182 3.030 1.00 15.00 H new ATOM 0 HD2 PRO A 311 -7.027 1.242 0.604 1.00 15.00 H new ATOM 0 HD3 PRO A 311 -7.579 -0.270 1.296 1.00 15.00 H new ATOM 522 N ARG A 312 -9.896 3.067 -0.808 1.00 15.00 N ATOM 523 CA ARG A 312 -10.270 4.360 -1.370 1.00 15.00 C ATOM 524 C ARG A 312 -11.223 4.195 -2.552 1.00 15.00 C ATOM 525 O ARG A 312 -12.210 4.923 -2.668 1.00 15.00 O ATOM 526 CB ARG A 312 -9.026 5.133 -1.792 1.00 15.00 C ATOM 527 CG ARG A 312 -8.117 5.493 -0.628 1.00 15.00 C ATOM 528 CD ARG A 312 -6.731 5.881 -1.107 1.00 15.00 C ATOM 529 NE ARG A 312 -6.769 6.991 -2.055 1.00 15.00 N ATOM 530 CZ ARG A 312 -6.316 6.913 -3.304 1.00 15.00 C ATOM 531 NH1 ARG A 312 -5.846 5.759 -3.775 1.00 15.00 N1+ ATOM 532 NH2 ARG A 312 -6.358 7.982 -4.091 1.00 15.00 N ATOM 0 H ARG A 312 -8.914 2.820 -0.932 1.00 15.00 H new ATOM 0 HA ARG A 312 -10.791 4.926 -0.597 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -8.464 4.538 -2.512 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -9.330 6.047 -2.302 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -8.553 6.318 -0.065 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -8.044 4.646 0.054 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -6.116 6.157 -0.251 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -6.256 5.020 -1.577 1.00 15.00 H new ATOM 0 HE ARG A 312 -7.166 7.877 -1.742 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -5.833 4.932 -3.178 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -5.500 5.702 -4.733 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -6.737 8.861 -3.738 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -6.011 7.924 -5.049 1.00 15.00 H new ATOM 546 N LEU A 313 -10.918 3.253 -3.434 1.00 15.00 N ATOM 547 CA LEU A 313 -11.789 2.961 -4.566 1.00 15.00 C ATOM 548 C LEU A 313 -12.636 1.727 -4.279 1.00 15.00 C ATOM 549 O LEU A 313 -12.394 1.075 -3.244 1.00 15.00 O ATOM 550 CB LEU A 313 -11.009 2.821 -5.901 1.00 15.00 C ATOM 551 CG LEU A 313 -9.736 1.941 -5.938 1.00 15.00 C ATOM 552 CD1 LEU A 313 -8.602 2.565 -5.142 1.00 15.00 C ATOM 553 CD2 LEU A 313 -10.009 0.521 -5.460 1.00 15.00 C ATOM 0 H LEU A 313 -10.076 2.679 -3.388 1.00 15.00 H new ATOM 0 HA LEU A 313 -12.454 3.815 -4.694 1.00 15.00 H new ATOM 0 HB2 LEU A 313 -11.701 2.430 -6.647 1.00 15.00 H new ATOM 0 HB3 LEU A 313 -10.726 3.823 -6.223 1.00 15.00 H new ATOM 0 HG LEU A 313 -9.427 1.884 -6.982 1.00 15.00 H new ATOM 0 HD11 LEU A 313 -7.725 1.919 -5.191 1.00 15.00 H new ATOM 0 HD12 LEU A 313 -8.358 3.541 -5.561 1.00 15.00 H new ATOM 0 HD13 LEU A 313 -8.909 2.683 -4.103 1.00 15.00 H new ATOM 0 HD21 LEU A 313 -9.088 -0.061 -5.503 1.00 15.00 H new ATOM 0 HD22 LEU A 313 -10.375 0.547 -4.433 1.00 15.00 H new ATOM 0 HD23 LEU A 313 -10.760 0.059 -6.101 1.00 15.00 H new ATOM 566 N ASP B 221 0.277 -9.294 -9.487 1.00 15.00 N ATOM 567 CA ASP B 221 1.575 -9.203 -8.785 1.00 15.00 C ATOM 568 C ASP B 221 1.585 -10.154 -7.595 1.00 15.00 C ATOM 569 O ASP B 221 0.547 -10.374 -6.964 1.00 15.00 O ATOM 570 CB ASP B 221 1.837 -7.761 -8.332 1.00 15.00 C ATOM 571 CG ASP B 221 3.266 -7.552 -7.862 1.00 15.00 C ATOM 572 OD1 ASP B 221 4.178 -7.579 -8.715 1.00 15.00 O ATOM 573 OD2 ASP B 221 3.486 -7.350 -6.656 1.00 15.00 O1- ATOM 0 HA ASP B 221 2.372 -9.492 -9.470 1.00 15.00 H new ATOM 0 HB2 ASP B 221 1.625 -7.080 -9.156 1.00 15.00 H new ATOM 0 HB3 ASP B 221 1.151 -7.507 -7.524 1.00 15.00 H new ATOM 578 N THR B 222 2.752 -10.724 -7.313 1.00 15.00 N ATOM 579 CA THR B 222 2.929 -11.662 -6.205 1.00 15.00 C ATOM 580 C THR B 222 2.488 -11.015 -4.882 1.00 15.00 C ATOM 581 O THR B 222 2.501 -9.792 -4.774 1.00 15.00 O ATOM 582 CB THR B 222 4.417 -12.109 -6.140 1.00 15.00 C ATOM 583 OG1 THR B 222 4.579 -13.286 -5.339 1.00 15.00 O ATOM 584 CG2 THR B 222 5.302 -11.002 -5.585 1.00 15.00 C ATOM 0 H THR B 222 3.604 -10.550 -7.846 1.00 15.00 H new ATOM 0 HA THR B 222 2.306 -12.541 -6.369 1.00 15.00 H new ATOM 0 HB THR B 222 4.721 -12.333 -7.162 1.00 15.00 H new ATOM 0 HG1 THR B 222 5.525 -13.541 -5.320 1.00 15.00 H new ATOM 0 HG21 THR B 222 6.336 -11.345 -5.552 1.00 15.00 H new ATOM 0 HG22 THR B 222 5.231 -10.124 -6.227 1.00 15.00 H new ATOM 0 HG23 THR B 222 4.973 -10.744 -4.578 1.00 15.00 H new ATOM 592 N PRO B 223 2.099 -11.818 -3.861 1.00 15.00 N ATOM 593 CA PRO B 223 1.539 -11.300 -2.603 1.00 15.00 C ATOM 594 C PRO B 223 2.371 -10.166 -2.005 1.00 15.00 C ATOM 595 O PRO B 223 3.604 -10.181 -2.078 1.00 15.00 O ATOM 596 CB PRO B 223 1.554 -12.523 -1.665 1.00 15.00 C ATOM 597 CG PRO B 223 2.290 -13.595 -2.400 1.00 15.00 C ATOM 598 CD PRO B 223 2.127 -13.283 -3.857 1.00 15.00 C ATOM 0 HA PRO B 223 0.548 -10.872 -2.756 1.00 15.00 H new ATOM 0 HB2 PRO B 223 2.048 -12.286 -0.723 1.00 15.00 H new ATOM 0 HB3 PRO B 223 0.540 -12.841 -1.422 1.00 15.00 H new ATOM 0 HG2 PRO B 223 3.343 -13.608 -2.119 1.00 15.00 H new ATOM 0 HG3 PRO B 223 1.885 -14.579 -2.164 1.00 15.00 H new ATOM 0 HD2 PRO B 223 2.952 -13.676 -4.452 1.00 15.00 H new ATOM 0 HD3 PRO B 223 1.210 -13.708 -4.264 1.00 15.00 H new ATOM 606 N PRO B 224 1.688 -9.196 -1.361 1.00 15.00 N ATOM 607 CA PRO B 224 2.265 -7.898 -0.994 1.00 15.00 C ATOM 608 C PRO B 224 3.613 -7.998 -0.292 1.00 15.00 C ATOM 609 O PRO B 224 3.776 -8.728 0.689 1.00 15.00 O ATOM 610 CB PRO B 224 1.221 -7.268 -0.059 1.00 15.00 C ATOM 611 CG PRO B 224 0.209 -8.331 0.210 1.00 15.00 C ATOM 612 CD PRO B 224 0.288 -9.297 -0.933 1.00 15.00 C ATOM 0 HA PRO B 224 2.470 -7.309 -1.888 1.00 15.00 H new ATOM 0 HB2 PRO B 224 1.683 -6.927 0.867 1.00 15.00 H new ATOM 0 HB3 PRO B 224 0.757 -6.397 -0.523 1.00 15.00 H new ATOM 0 HG2 PRO B 224 0.416 -8.832 1.156 1.00 15.00 H new ATOM 0 HG3 PRO B 224 -0.791 -7.903 0.288 1.00 15.00 H new ATOM 0 HD2 PRO B 224 0.034 -10.310 -0.622 1.00 15.00 H new ATOM 0 HD3 PRO B 224 -0.399 -9.028 -1.736 1.00 15.00 H new ATOM 620 N PRO B 225 4.595 -7.253 -0.821 1.00 15.00 N ATOM 621 CA PRO B 225 5.964 -7.198 -0.290 1.00 15.00 C ATOM 622 C PRO B 225 6.035 -6.665 1.138 1.00 15.00 C ATOM 623 O PRO B 225 5.023 -6.280 1.724 1.00 15.00 O ATOM 624 CB PRO B 225 6.667 -6.205 -1.227 1.00 15.00 C ATOM 625 CG PRO B 225 5.843 -6.172 -2.461 1.00 15.00 C ATOM 626 CD PRO B 225 4.436 -6.405 -2.014 1.00 15.00 C ATOM 0 HA PRO B 225 6.408 -8.193 -0.253 1.00 15.00 H new ATOM 0 HB2 PRO B 225 6.733 -5.216 -0.773 1.00 15.00 H new ATOM 0 HB3 PRO B 225 7.686 -6.525 -1.444 1.00 15.00 H new ATOM 0 HG2 PRO B 225 5.938 -5.213 -2.970 1.00 15.00 H new ATOM 0 HG3 PRO B 225 6.162 -6.940 -3.166 1.00 15.00 H new ATOM 0 HD2 PRO B 225 3.929 -5.469 -1.778 1.00 15.00 H new ATOM 0 HD3 PRO B 225 3.846 -6.901 -2.785 1.00 15.00 H new ATOM 634 N ALA B 226 7.249 -6.625 1.683 1.00 15.00 N ATOM 635 CA ALA B 226 7.490 -5.962 2.957 1.00 15.00 C ATOM 636 C ALA B 226 7.148 -4.485 2.818 1.00 15.00 C ATOM 637 O ALA B 226 7.122 -3.958 1.704 1.00 15.00 O ATOM 638 CB ALA B 226 8.939 -6.141 3.387 1.00 15.00 C ATOM 0 H ALA B 226 8.078 -7.044 1.261 1.00 15.00 H new ATOM 0 HA ALA B 226 6.859 -6.408 3.725 1.00 15.00 H new ATOM 0 HB1 ALA B 226 9.100 -5.639 4.341 1.00 15.00 H new ATOM 0 HB2 ALA B 226 9.158 -7.203 3.495 1.00 15.00 H new ATOM 0 HB3 ALA B 226 9.598 -5.709 2.634 1.00 15.00 H new ATOM 644 N TYR B 227 6.885 -3.807 3.921 1.00 15.00 N ATOM 645 CA TYR B 227 6.399 -2.448 3.817 1.00 15.00 C ATOM 646 C TYR B 227 7.539 -1.436 3.832 1.00 15.00 C ATOM 647 O TYR B 227 8.394 -1.423 4.723 1.00 15.00 O ATOM 648 CB TYR B 227 5.355 -2.131 4.895 1.00 15.00 C ATOM 649 CG TYR B 227 5.915 -1.629 6.208 1.00 15.00 C ATOM 650 CD1 TYR B 227 6.252 -2.501 7.235 1.00 15.00 C ATOM 651 CD2 TYR B 227 6.087 -0.271 6.422 1.00 15.00 C ATOM 652 CE1 TYR B 227 6.747 -2.028 8.436 1.00 15.00 C ATOM 653 CE2 TYR B 227 6.585 0.214 7.608 1.00 15.00 C ATOM 654 CZ TYR B 227 6.913 -0.666 8.618 1.00 15.00 C ATOM 655 OH TYR B 227 7.392 -0.186 9.817 1.00 15.00 O ATOM 0 H TYR B 227 6.996 -4.163 4.870 1.00 15.00 H new ATOM 0 HA TYR B 227 5.902 -2.363 2.850 1.00 15.00 H new ATOM 0 HB2 TYR B 227 4.667 -1.383 4.502 1.00 15.00 H new ATOM 0 HB3 TYR B 227 4.771 -3.031 5.088 1.00 15.00 H new ATOM 0 HD1 TYR B 227 6.126 -3.564 7.093 1.00 15.00 H new ATOM 0 HD2 TYR B 227 5.823 0.423 5.638 1.00 15.00 H new ATOM 0 HE1 TYR B 227 7.003 -2.717 9.227 1.00 15.00 H new ATOM 0 HE2 TYR B 227 6.718 1.277 7.748 1.00 15.00 H new ATOM 0 HH TYR B 227 7.449 0.792 9.779 1.00 15.00 H new ATOM 665 N LEU B 228 7.519 -0.596 2.819 1.00 15.00 N ATOM 666 CA LEU B 228 8.447 0.508 2.672 1.00 15.00 C ATOM 667 C LEU B 228 7.632 1.772 2.445 1.00 15.00 C ATOM 668 O LEU B 228 6.482 1.684 2.046 1.00 15.00 O ATOM 669 CB LEU B 228 9.405 0.285 1.488 1.00 15.00 C ATOM 670 CG LEU B 228 10.376 -0.897 1.611 1.00 15.00 C ATOM 671 CD1 LEU B 228 9.708 -2.203 1.216 1.00 15.00 C ATOM 672 CD2 LEU B 228 11.611 -0.657 0.759 1.00 15.00 C ATOM 0 H LEU B 228 6.843 -0.662 2.058 1.00 15.00 H new ATOM 0 HA LEU B 228 9.057 0.591 3.572 1.00 15.00 H new ATOM 0 HB2 LEU B 228 8.808 0.145 0.587 1.00 15.00 H new ATOM 0 HB3 LEU B 228 9.989 1.194 1.345 1.00 15.00 H new ATOM 0 HG LEU B 228 10.677 -0.976 2.656 1.00 15.00 H new ATOM 0 HD11 LEU B 228 10.422 -3.021 1.314 1.00 15.00 H new ATOM 0 HD12 LEU B 228 8.854 -2.387 1.868 1.00 15.00 H new ATOM 0 HD13 LEU B 228 9.368 -2.140 0.182 1.00 15.00 H new ATOM 0 HD21 LEU B 228 12.290 -1.504 0.856 1.00 15.00 H new ATOM 0 HD22 LEU B 228 11.317 -0.546 -0.285 1.00 15.00 H new ATOM 0 HD23 LEU B 228 12.113 0.251 1.093 1.00 15.00 H new ATOM 684 N PRO B 229 8.189 2.964 2.660 1.00 15.00 N ATOM 685 CA PRO B 229 7.441 4.198 2.425 1.00 15.00 C ATOM 686 C PRO B 229 7.584 4.657 0.975 1.00 15.00 C ATOM 687 O PRO B 229 8.550 4.309 0.294 1.00 15.00 O ATOM 688 CB PRO B 229 8.126 5.206 3.367 1.00 15.00 C ATOM 689 CG PRO B 229 9.112 4.416 4.165 1.00 15.00 C ATOM 690 CD PRO B 229 9.458 3.220 3.331 1.00 15.00 C ATOM 0 HA PRO B 229 6.372 4.085 2.605 1.00 15.00 H new ATOM 0 HB2 PRO B 229 8.623 5.994 2.801 1.00 15.00 H new ATOM 0 HB3 PRO B 229 7.397 5.691 4.016 1.00 15.00 H new ATOM 0 HG2 PRO B 229 10.000 5.009 4.384 1.00 15.00 H new ATOM 0 HG3 PRO B 229 8.686 4.114 5.122 1.00 15.00 H new ATOM 0 HD2 PRO B 229 10.262 3.430 2.625 1.00 15.00 H new ATOM 0 HD3 PRO B 229 9.780 2.374 3.939 1.00 15.00 H new ATOM 698 N PRO B 230 6.633 5.477 0.494 1.00 15.00 N ATOM 699 CA PRO B 230 6.219 5.457 -0.900 1.00 15.00 C ATOM 700 C PRO B 230 6.995 6.375 -1.836 1.00 15.00 C ATOM 701 O PRO B 230 7.394 7.484 -1.477 1.00 15.00 O ATOM 702 CB PRO B 230 4.758 5.923 -0.823 1.00 15.00 C ATOM 703 CG PRO B 230 4.536 6.429 0.573 1.00 15.00 C ATOM 704 CD PRO B 230 5.880 6.486 1.241 1.00 15.00 C ATOM 0 HA PRO B 230 6.388 4.467 -1.324 1.00 15.00 H new ATOM 0 HB2 PRO B 230 4.564 6.708 -1.554 1.00 15.00 H new ATOM 0 HB3 PRO B 230 4.078 5.102 -1.049 1.00 15.00 H new ATOM 0 HG2 PRO B 230 4.072 7.415 0.556 1.00 15.00 H new ATOM 0 HG3 PRO B 230 3.862 5.769 1.119 1.00 15.00 H new ATOM 0 HD2 PRO B 230 6.333 7.474 1.163 1.00 15.00 H new ATOM 0 HD3 PRO B 230 5.819 6.247 2.303 1.00 15.00 H new ATOM 712 N GLU B 231 7.150 5.890 -3.067 1.00 15.00 N ATOM 713 CA GLU B 231 7.841 6.610 -4.122 1.00 15.00 C ATOM 714 C GLU B 231 7.044 6.488 -5.435 1.00 15.00 C ATOM 715 O GLU B 231 7.078 5.449 -6.094 1.00 15.00 O ATOM 716 CB GLU B 231 9.261 6.041 -4.292 1.00 15.00 C ATOM 717 CG GLU B 231 9.296 4.563 -4.681 1.00 15.00 C ATOM 718 CD GLU B 231 10.685 3.972 -4.638 1.00 15.00 C ATOM 719 OE1 GLU B 231 11.439 4.138 -5.621 1.00 15.00 O1- ATOM 720 OE2 GLU B 231 11.022 3.319 -3.630 1.00 15.00 O ATOM 0 H GLU B 231 6.795 4.979 -3.357 1.00 15.00 H new ATOM 0 HA GLU B 231 7.920 7.665 -3.858 1.00 15.00 H new ATOM 0 HB2 GLU B 231 9.784 6.619 -5.054 1.00 15.00 H new ATOM 0 HB3 GLU B 231 9.809 6.174 -3.359 1.00 15.00 H new ATOM 0 HG2 GLU B 231 8.648 4.001 -4.009 1.00 15.00 H new ATOM 0 HG3 GLU B 231 8.890 4.448 -5.686 1.00 15.00 H new