USER MOD reduce.3.24.130724 H: found=0, std=0, add=331, rem=0, adj=13 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 Set 1.1: A 305 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 307 GLN :FLIP amide:sc= -0.0275 F(o=-1.6,f=-0.027) USER MOD Single : A 290 SER OG : rot 180:sc= 0.0481 USER MOD Single : A 291 THR OG1 : rot -140:sc= -0.551 USER MOD Single : A 293 SER OG : rot 180:sc= 0.00425 USER MOD Single : A 297 TYR OH : rot 180:sc= 0.117 USER MOD Single : A 301 HIS :FLIP no HE2:sc= -7.27! C(o=-14!,f=-7.3!) USER MOD Single : A 302 ASN :FLIP amide:sc= -0.0265 F(o=-2!,f=-0.027) USER MOD Single : A 303 ASN :FLIP amide:sc= -0.0571 F(o=-1.2,f=-0.057) USER MOD Single : A 306 THR OG1 : rot -165:sc= 1.29 USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot 180:sc= 0.00268 USER MOD Single : B 227 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N LEU A 282 -9.389 6.734 3.436 1.00 15.00 N ATOM 44 CA LEU A 282 -8.028 6.287 3.698 1.00 15.00 C ATOM 45 C LEU A 282 -7.673 6.548 5.161 1.00 15.00 C ATOM 46 O LEU A 282 -7.647 7.700 5.601 1.00 15.00 O ATOM 47 CB LEU A 282 -7.045 7.025 2.780 1.00 15.00 C ATOM 48 CG LEU A 282 -5.568 6.653 2.948 1.00 15.00 C ATOM 49 CD1 LEU A 282 -5.313 5.216 2.516 1.00 15.00 C ATOM 50 CD2 LEU A 282 -4.686 7.611 2.163 1.00 15.00 C ATOM 0 HA LEU A 282 -7.959 5.218 3.498 1.00 15.00 H new ATOM 0 HB2 LEU A 282 -7.332 6.837 1.745 1.00 15.00 H new ATOM 0 HB3 LEU A 282 -7.152 8.096 2.951 1.00 15.00 H new ATOM 0 HG LEU A 282 -5.317 6.736 4.005 1.00 15.00 H new ATOM 0 HD11 LEU A 282 -4.257 4.979 2.646 1.00 15.00 H new ATOM 0 HD12 LEU A 282 -5.914 4.541 3.125 1.00 15.00 H new ATOM 0 HD13 LEU A 282 -5.585 5.098 1.467 1.00 15.00 H new ATOM 0 HD21 LEU A 282 -3.640 7.332 2.293 1.00 15.00 H new ATOM 0 HD22 LEU A 282 -4.946 7.561 1.106 1.00 15.00 H new ATOM 0 HD23 LEU A 282 -4.839 8.627 2.527 1.00 15.00 H new ATOM 62 N PRO A 283 -7.430 5.487 5.943 1.00 15.00 N ATOM 63 CA PRO A 283 -7.082 5.607 7.362 1.00 15.00 C ATOM 64 C PRO A 283 -5.651 6.107 7.579 1.00 15.00 C ATOM 65 O PRO A 283 -4.712 5.607 6.959 1.00 15.00 O ATOM 66 CB PRO A 283 -7.225 4.173 7.900 1.00 15.00 C ATOM 67 CG PRO A 283 -7.839 3.377 6.794 1.00 15.00 C ATOM 68 CD PRO A 283 -7.483 4.085 5.520 1.00 15.00 C ATOM 0 HA PRO A 283 -7.720 6.333 7.865 1.00 15.00 H new ATOM 0 HB2 PRO A 283 -6.255 3.764 8.183 1.00 15.00 H new ATOM 0 HB3 PRO A 283 -7.852 4.151 8.791 1.00 15.00 H new ATOM 0 HG2 PRO A 283 -7.458 2.356 6.791 1.00 15.00 H new ATOM 0 HG3 PRO A 283 -8.920 3.313 6.915 1.00 15.00 H new ATOM 0 HD2 PRO A 283 -6.528 3.745 5.120 1.00 15.00 H new ATOM 0 HD3 PRO A 283 -8.230 3.923 4.743 1.00 15.00 H new ATOM 76 N PRO A 284 -5.475 7.106 8.463 1.00 15.00 N ATOM 77 CA PRO A 284 -4.147 7.604 8.843 1.00 15.00 C ATOM 78 C PRO A 284 -3.251 6.486 9.369 1.00 15.00 C ATOM 79 O PRO A 284 -3.615 5.766 10.305 1.00 15.00 O ATOM 80 CB PRO A 284 -4.447 8.622 9.948 1.00 15.00 C ATOM 81 CG PRO A 284 -5.852 9.044 9.702 1.00 15.00 C ATOM 82 CD PRO A 284 -6.553 7.838 9.148 1.00 15.00 C ATOM 0 HA PRO A 284 -3.609 8.031 7.997 1.00 15.00 H new ATOM 0 HB2 PRO A 284 -4.334 8.178 10.937 1.00 15.00 H new ATOM 0 HB3 PRO A 284 -3.765 9.471 9.900 1.00 15.00 H new ATOM 0 HG2 PRO A 284 -6.325 9.382 10.624 1.00 15.00 H new ATOM 0 HG3 PRO A 284 -5.892 9.876 8.999 1.00 15.00 H new ATOM 0 HD2 PRO A 284 -7.008 7.239 9.937 1.00 15.00 H new ATOM 0 HD3 PRO A 284 -7.351 8.117 8.460 1.00 15.00 H new ATOM 90 N GLY A 285 -2.083 6.345 8.759 1.00 15.00 N ATOM 91 CA GLY A 285 -1.202 5.241 9.080 1.00 15.00 C ATOM 92 C GLY A 285 -1.004 4.354 7.876 1.00 15.00 C ATOM 93 O GLY A 285 -0.100 3.516 7.839 1.00 15.00 O ATOM 0 H GLY A 285 -1.728 6.979 8.043 1.00 15.00 H new ATOM 0 HA2 GLY A 285 -0.239 5.623 9.419 1.00 15.00 H new ATOM 0 HA3 GLY A 285 -1.622 4.660 9.901 1.00 15.00 H new ATOM 97 N TRP A 286 -1.865 4.556 6.889 1.00 15.00 N ATOM 98 CA TRP A 286 -1.781 3.846 5.629 1.00 15.00 C ATOM 99 C TRP A 286 -0.912 4.609 4.655 1.00 15.00 C ATOM 100 O TRP A 286 -1.323 5.638 4.112 1.00 15.00 O ATOM 101 CB TRP A 286 -3.177 3.663 5.009 1.00 15.00 C ATOM 102 CG TRP A 286 -3.905 2.451 5.490 1.00 15.00 C ATOM 103 CD1 TRP A 286 -4.184 2.121 6.784 1.00 15.00 C ATOM 104 CD2 TRP A 286 -4.443 1.399 4.676 1.00 15.00 C ATOM 105 NE1 TRP A 286 -4.844 0.920 6.830 1.00 15.00 N ATOM 106 CE2 TRP A 286 -5.012 0.453 5.552 1.00 15.00 C ATOM 107 CE3 TRP A 286 -4.497 1.153 3.291 1.00 15.00 C ATOM 108 CZ2 TRP A 286 -5.615 -0.716 5.099 1.00 15.00 C ATOM 109 CZ3 TRP A 286 -5.090 -0.014 2.854 1.00 15.00 C ATOM 110 CH2 TRP A 286 -5.637 -0.938 3.752 1.00 15.00 C ATOM 0 H TRP A 286 -2.640 5.217 6.943 1.00 15.00 H new ATOM 0 HA TRP A 286 -1.344 2.867 5.827 1.00 15.00 H new ATOM 0 HB2 TRP A 286 -3.778 4.545 5.228 1.00 15.00 H new ATOM 0 HB3 TRP A 286 -3.077 3.607 3.925 1.00 15.00 H new ATOM 0 HD1 TRP A 286 -3.923 2.718 7.645 1.00 15.00 H new ATOM 0 HE1 TRP A 286 -5.159 0.450 7.678 1.00 15.00 H new ATOM 0 HE3 TRP A 286 -4.084 1.861 2.587 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 -6.051 -1.423 5.789 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 -5.133 -0.219 1.795 1.00 15.00 H new ATOM 0 HH2 TRP A 286 -6.085 -1.844 3.372 1.00 15.00 H new ATOM 121 N GLU A 287 0.297 4.129 4.454 1.00 15.00 N ATOM 122 CA GLU A 287 1.143 4.682 3.432 1.00 15.00 C ATOM 123 C GLU A 287 0.894 3.932 2.140 1.00 15.00 C ATOM 124 O GLU A 287 1.135 2.729 2.044 1.00 15.00 O ATOM 125 CB GLU A 287 2.610 4.627 3.853 1.00 15.00 C ATOM 126 CG GLU A 287 3.088 5.897 4.535 1.00 15.00 C ATOM 127 CD GLU A 287 2.296 6.252 5.772 1.00 15.00 C ATOM 128 OE1 GLU A 287 2.619 5.734 6.863 1.00 15.00 O ATOM 129 OE2 GLU A 287 1.372 7.078 5.662 1.00 15.00 O1- ATOM 0 H GLU A 287 0.709 3.361 4.984 1.00 15.00 H new ATOM 0 HA GLU A 287 0.904 5.734 3.278 1.00 15.00 H new ATOM 0 HB2 GLU A 287 2.756 3.784 4.528 1.00 15.00 H new ATOM 0 HB3 GLU A 287 3.226 4.441 2.973 1.00 15.00 H new ATOM 0 HG2 GLU A 287 4.137 5.781 4.806 1.00 15.00 H new ATOM 0 HG3 GLU A 287 3.031 6.724 3.827 1.00 15.00 H new ATOM 136 N VAL A 288 0.366 4.635 1.164 1.00 15.00 N ATOM 137 CA VAL A 288 0.006 4.026 -0.097 1.00 15.00 C ATOM 138 C VAL A 288 1.184 4.082 -1.057 1.00 15.00 C ATOM 139 O VAL A 288 1.475 5.117 -1.659 1.00 15.00 O ATOM 140 CB VAL A 288 -1.254 4.699 -0.701 1.00 15.00 C ATOM 141 CG1 VAL A 288 -1.197 6.214 -0.554 1.00 15.00 C ATOM 142 CG2 VAL A 288 -1.435 4.313 -2.162 1.00 15.00 C ATOM 0 H VAL A 288 0.175 5.635 1.220 1.00 15.00 H new ATOM 0 HA VAL A 288 -0.242 2.979 0.077 1.00 15.00 H new ATOM 0 HB VAL A 288 -2.117 4.337 -0.142 1.00 15.00 H new ATOM 0 HG11 VAL A 288 -2.094 6.656 -0.987 1.00 15.00 H new ATOM 0 HG12 VAL A 288 -1.138 6.475 0.503 1.00 15.00 H new ATOM 0 HG13 VAL A 288 -0.318 6.597 -1.072 1.00 15.00 H new ATOM 0 HG21 VAL A 288 -2.326 4.799 -2.559 1.00 15.00 H new ATOM 0 HG22 VAL A 288 -0.563 4.631 -2.733 1.00 15.00 H new ATOM 0 HG23 VAL A 288 -1.546 3.232 -2.242 1.00 15.00 H new ATOM 152 N ARG A 289 1.885 2.965 -1.165 1.00 15.00 N ATOM 153 CA ARG A 289 3.075 2.910 -1.981 1.00 15.00 C ATOM 154 C ARG A 289 2.684 2.437 -3.378 1.00 15.00 C ATOM 155 O ARG A 289 2.508 1.249 -3.625 1.00 15.00 O ATOM 156 CB ARG A 289 4.136 2.003 -1.312 1.00 15.00 C ATOM 157 CG ARG A 289 5.587 2.316 -1.688 1.00 15.00 C ATOM 158 CD ARG A 289 5.893 2.027 -3.149 1.00 15.00 C ATOM 159 NE ARG A 289 7.261 2.396 -3.521 1.00 15.00 N ATOM 160 CZ ARG A 289 8.175 1.533 -3.973 1.00 15.00 C ATOM 161 NH1 ARG A 289 7.937 0.227 -3.960 1.00 15.00 N1+ ATOM 162 NH2 ARG A 289 9.347 1.973 -4.405 1.00 15.00 N ATOM 0 H ARG A 289 1.647 2.090 -0.698 1.00 15.00 H new ATOM 0 HA ARG A 289 3.529 3.896 -2.075 1.00 15.00 H new ATOM 0 HB2 ARG A 289 4.031 2.085 -0.230 1.00 15.00 H new ATOM 0 HB3 ARG A 289 3.924 0.967 -1.575 1.00 15.00 H new ATOM 0 HG2 ARG A 289 5.793 3.366 -1.479 1.00 15.00 H new ATOM 0 HG3 ARG A 289 6.255 1.729 -1.059 1.00 15.00 H new ATOM 0 HD2 ARG A 289 5.741 0.966 -3.345 1.00 15.00 H new ATOM 0 HD3 ARG A 289 5.190 2.572 -3.779 1.00 15.00 H new ATOM 0 HE ARG A 289 7.533 3.375 -3.429 1.00 15.00 H new ATOM 0 HH11 ARG A 289 7.049 -0.126 -3.603 1.00 15.00 H new ATOM 0 HH12 ARG A 289 8.642 -0.423 -4.308 1.00 15.00 H new ATOM 0 HH21 ARG A 289 9.553 2.972 -4.393 1.00 15.00 H new ATOM 0 HH22 ARG A 289 10.044 1.313 -4.750 1.00 15.00 H new ATOM 176 N SER A 290 2.459 3.393 -4.264 1.00 15.00 N ATOM 177 CA SER A 290 2.081 3.101 -5.632 1.00 15.00 C ATOM 178 C SER A 290 3.328 2.970 -6.491 1.00 15.00 C ATOM 179 O SER A 290 4.309 3.688 -6.289 1.00 15.00 O ATOM 180 CB SER A 290 1.173 4.214 -6.152 1.00 15.00 C ATOM 181 OG SER A 290 1.654 5.480 -5.745 1.00 15.00 O ATOM 0 H SER A 290 2.533 4.388 -4.054 1.00 15.00 H new ATOM 0 HA SER A 290 1.537 2.158 -5.675 1.00 15.00 H new ATOM 0 HB2 SER A 290 1.122 4.171 -7.240 1.00 15.00 H new ATOM 0 HB3 SER A 290 0.159 4.067 -5.780 1.00 15.00 H new ATOM 0 HG SER A 290 1.061 6.181 -6.088 1.00 15.00 H new ATOM 187 N THR A 291 3.306 2.054 -7.441 1.00 15.00 N ATOM 188 CA THR A 291 4.478 1.822 -8.259 1.00 15.00 C ATOM 189 C THR A 291 4.153 1.869 -9.747 1.00 15.00 C ATOM 190 O THR A 291 3.064 1.466 -10.179 1.00 15.00 O ATOM 191 CB THR A 291 5.149 0.482 -7.906 1.00 15.00 C ATOM 192 OG1 THR A 291 4.203 -0.586 -8.017 1.00 15.00 O ATOM 193 CG2 THR A 291 5.708 0.519 -6.493 1.00 15.00 C ATOM 0 H THR A 291 2.502 1.467 -7.662 1.00 15.00 H new ATOM 0 HA THR A 291 5.176 2.630 -8.042 1.00 15.00 H new ATOM 0 HB THR A 291 5.968 0.315 -8.606 1.00 15.00 H new ATOM 0 HG1 THR A 291 4.336 -1.219 -7.281 1.00 15.00 H new ATOM 0 HG21 THR A 291 6.178 -0.437 -6.263 1.00 15.00 H new ATOM 0 HG22 THR A 291 6.448 1.315 -6.415 1.00 15.00 H new ATOM 0 HG23 THR A 291 4.899 0.705 -5.786 1.00 15.00 H new ATOM 201 N VAL A 292 5.128 2.353 -10.516 1.00 15.00 N ATOM 202 CA VAL A 292 5.008 2.516 -11.966 1.00 15.00 C ATOM 203 C VAL A 292 4.741 1.178 -12.662 1.00 15.00 C ATOM 204 O VAL A 292 4.334 1.138 -13.823 1.00 15.00 O ATOM 205 CB VAL A 292 6.291 3.167 -12.546 1.00 15.00 C ATOM 206 CG1 VAL A 292 7.488 2.233 -12.411 1.00 15.00 C ATOM 207 CG2 VAL A 292 6.089 3.583 -13.996 1.00 15.00 C ATOM 0 H VAL A 292 6.033 2.646 -10.147 1.00 15.00 H new ATOM 0 HA VAL A 292 4.157 3.171 -12.154 1.00 15.00 H new ATOM 0 HB VAL A 292 6.498 4.066 -11.965 1.00 15.00 H new ATOM 0 HG11 VAL A 292 8.374 2.714 -12.825 1.00 15.00 H new ATOM 0 HG12 VAL A 292 7.657 2.008 -11.358 1.00 15.00 H new ATOM 0 HG13 VAL A 292 7.291 1.308 -12.953 1.00 15.00 H new ATOM 0 HG21 VAL A 292 7.005 4.036 -14.375 1.00 15.00 H new ATOM 0 HG22 VAL A 292 5.843 2.706 -14.595 1.00 15.00 H new ATOM 0 HG23 VAL A 292 5.275 4.305 -14.057 1.00 15.00 H new ATOM 217 N SER A 293 4.959 0.083 -11.939 1.00 15.00 N ATOM 218 CA SER A 293 4.666 -1.255 -12.440 1.00 15.00 C ATOM 219 C SER A 293 3.182 -1.401 -12.803 1.00 15.00 C ATOM 220 O SER A 293 2.789 -2.351 -13.481 1.00 15.00 O ATOM 221 CB SER A 293 5.043 -2.288 -11.379 1.00 15.00 C ATOM 222 OG SER A 293 6.322 -2.006 -10.837 1.00 15.00 O ATOM 0 H SER A 293 5.342 0.098 -10.994 1.00 15.00 H new ATOM 0 HA SER A 293 5.252 -1.420 -13.344 1.00 15.00 H new ATOM 0 HB2 SER A 293 4.298 -2.288 -10.584 1.00 15.00 H new ATOM 0 HB3 SER A 293 5.041 -3.285 -11.818 1.00 15.00 H new ATOM 0 HG SER A 293 6.545 -2.677 -10.158 1.00 15.00 H new ATOM 228 N GLY A 294 2.370 -0.457 -12.338 1.00 15.00 N ATOM 229 CA GLY A 294 0.944 -0.504 -12.580 1.00 15.00 C ATOM 230 C GLY A 294 0.221 -1.260 -11.489 1.00 15.00 C ATOM 231 O GLY A 294 -0.694 -2.038 -11.756 1.00 15.00 O ATOM 0 H GLY A 294 2.681 0.347 -11.792 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.551 0.511 -12.643 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.753 -0.980 -13.542 1.00 15.00 H new ATOM 235 N ARG A 295 0.646 -1.034 -10.253 1.00 15.00 N ATOM 236 CA ARG A 295 0.080 -1.736 -9.107 1.00 15.00 C ATOM 237 C ARG A 295 0.144 -0.867 -7.857 1.00 15.00 C ATOM 238 O ARG A 295 1.147 -0.185 -7.608 1.00 15.00 O ATOM 239 CB ARG A 295 0.839 -3.047 -8.867 1.00 15.00 C ATOM 240 CG ARG A 295 2.335 -2.848 -8.712 1.00 15.00 C ATOM 241 CD ARG A 295 3.079 -4.156 -8.511 1.00 15.00 C ATOM 242 NE ARG A 295 4.504 -3.918 -8.268 1.00 15.00 N ATOM 243 CZ ARG A 295 5.387 -4.876 -7.995 1.00 15.00 C ATOM 244 NH1 ARG A 295 5.005 -6.141 -7.931 1.00 15.00 N1+ ATOM 245 NH2 ARG A 295 6.661 -4.568 -7.781 1.00 15.00 N ATOM 0 H ARG A 295 1.382 -0.369 -10.017 1.00 15.00 H new ATOM 0 HA ARG A 295 -0.965 -1.958 -9.323 1.00 15.00 H new ATOM 0 HB2 ARG A 295 0.448 -3.528 -7.970 1.00 15.00 H new ATOM 0 HB3 ARG A 295 0.653 -3.725 -9.700 1.00 15.00 H new ATOM 0 HG2 ARG A 295 2.725 -2.345 -9.597 1.00 15.00 H new ATOM 0 HG3 ARG A 295 2.525 -2.192 -7.863 1.00 15.00 H new ATOM 0 HD2 ARG A 295 2.648 -4.698 -7.669 1.00 15.00 H new ATOM 0 HD3 ARG A 295 2.957 -4.787 -9.392 1.00 15.00 H new ATOM 0 HE ARG A 295 4.841 -2.956 -8.311 1.00 15.00 H new ATOM 0 HH11 ARG A 295 4.028 -6.388 -8.091 1.00 15.00 H new ATOM 0 HH12 ARG A 295 5.687 -6.870 -7.721 1.00 15.00 H new ATOM 0 HH21 ARG A 295 6.965 -3.595 -7.826 1.00 15.00 H new ATOM 0 HH22 ARG A 295 7.335 -5.304 -7.572 1.00 15.00 H new ATOM 259 N ILE A 296 -0.923 -0.893 -7.074 1.00 15.00 N ATOM 260 CA ILE A 296 -0.939 -0.231 -5.780 1.00 15.00 C ATOM 261 C ILE A 296 -0.709 -1.281 -4.698 1.00 15.00 C ATOM 262 O ILE A 296 -1.240 -2.390 -4.788 1.00 15.00 O ATOM 263 CB ILE A 296 -2.270 0.524 -5.532 1.00 15.00 C ATOM 264 CG1 ILE A 296 -2.180 1.378 -4.264 1.00 15.00 C ATOM 265 CG2 ILE A 296 -3.445 -0.443 -5.428 1.00 15.00 C ATOM 266 CD1 ILE A 296 -3.396 2.248 -4.045 1.00 15.00 C ATOM 0 H ILE A 296 -1.793 -1.368 -7.314 1.00 15.00 H new ATOM 0 HA ILE A 296 -0.146 0.516 -5.756 1.00 15.00 H new ATOM 0 HB ILE A 296 -2.441 1.178 -6.387 1.00 15.00 H new ATOM 0 HG12 ILE A 296 -2.049 0.724 -3.402 1.00 15.00 H new ATOM 0 HG13 ILE A 296 -1.294 2.011 -4.322 1.00 15.00 H new ATOM 0 HG21 ILE A 296 -4.363 0.118 -5.254 1.00 15.00 H new ATOM 0 HG22 ILE A 296 -3.535 -1.008 -6.356 1.00 15.00 H new ATOM 0 HG23 ILE A 296 -3.278 -1.131 -4.599 1.00 15.00 H new ATOM 0 HD11 ILE A 296 -3.269 2.827 -3.131 1.00 15.00 H new ATOM 0 HD12 ILE A 296 -3.516 2.926 -4.890 1.00 15.00 H new ATOM 0 HD13 ILE A 296 -4.282 1.619 -3.956 1.00 15.00 H new ATOM 278 N TYR A 297 0.099 -0.972 -3.701 1.00 15.00 N ATOM 279 CA TYR A 297 0.445 -1.979 -2.723 1.00 15.00 C ATOM 280 C TYR A 297 0.711 -1.289 -1.411 1.00 15.00 C ATOM 281 O TYR A 297 1.419 -0.275 -1.344 1.00 15.00 O ATOM 282 CB TYR A 297 1.611 -2.882 -3.181 1.00 15.00 C ATOM 283 CG TYR A 297 3.007 -2.439 -2.814 1.00 15.00 C ATOM 284 CD1 TYR A 297 3.640 -1.410 -3.486 1.00 15.00 C ATOM 285 CD2 TYR A 297 3.703 -3.085 -1.796 1.00 15.00 C ATOM 286 CE1 TYR A 297 4.922 -1.028 -3.151 1.00 15.00 C ATOM 287 CE2 TYR A 297 4.984 -2.707 -1.455 1.00 15.00 C ATOM 288 CZ TYR A 297 5.589 -1.677 -2.137 1.00 15.00 C ATOM 289 OH TYR A 297 6.865 -1.288 -1.803 1.00 15.00 O ATOM 0 H TYR A 297 0.518 -0.054 -3.550 1.00 15.00 H new ATOM 0 HA TYR A 297 -0.391 -2.667 -2.600 1.00 15.00 H new ATOM 0 HB2 TYR A 297 1.452 -3.877 -2.766 1.00 15.00 H new ATOM 0 HB3 TYR A 297 1.560 -2.977 -4.266 1.00 15.00 H new ATOM 0 HD1 TYR A 297 3.123 -0.898 -4.284 1.00 15.00 H new ATOM 0 HD2 TYR A 297 3.231 -3.897 -1.264 1.00 15.00 H new ATOM 0 HE1 TYR A 297 5.402 -0.220 -3.684 1.00 15.00 H new ATOM 0 HE2 TYR A 297 5.508 -3.215 -0.659 1.00 15.00 H new ATOM 0 HH TYR A 297 7.195 -1.845 -1.067 1.00 15.00 H new ATOM 299 N PHE A 298 0.112 -1.808 -0.383 1.00 15.00 N ATOM 300 CA PHE A 298 0.056 -1.108 0.851 1.00 15.00 C ATOM 301 C PHE A 298 1.152 -1.421 1.802 1.00 15.00 C ATOM 302 O PHE A 298 1.535 -2.563 2.005 1.00 15.00 O ATOM 303 CB PHE A 298 -1.274 -1.310 1.496 1.00 15.00 C ATOM 304 CG PHE A 298 -2.076 -0.130 1.214 1.00 15.00 C ATOM 305 CD1 PHE A 298 -1.728 1.050 1.821 1.00 15.00 C ATOM 306 CD2 PHE A 298 -3.116 -0.164 0.315 1.00 15.00 C ATOM 307 CE1 PHE A 298 -2.409 2.191 1.554 1.00 15.00 C ATOM 308 CE2 PHE A 298 -3.809 0.980 0.040 1.00 15.00 C ATOM 309 CZ PHE A 298 -3.449 2.154 0.666 1.00 15.00 C ATOM 0 H PHE A 298 -0.346 -2.720 -0.381 1.00 15.00 H new ATOM 0 HA PHE A 298 0.198 -0.058 0.596 1.00 15.00 H new ATOM 0 HB2 PHE A 298 -1.758 -2.205 1.106 1.00 15.00 H new ATOM 0 HB3 PHE A 298 -1.162 -1.451 2.571 1.00 15.00 H new ATOM 0 HD1 PHE A 298 -0.904 1.070 2.518 1.00 15.00 H new ATOM 0 HD2 PHE A 298 -3.383 -1.091 -0.171 1.00 15.00 H new ATOM 0 HE1 PHE A 298 -2.134 3.118 2.036 1.00 15.00 H new ATOM 0 HE2 PHE A 298 -4.631 0.965 -0.661 1.00 15.00 H new ATOM 0 HZ PHE A 298 -3.997 3.060 0.452 1.00 15.00 H new ATOM 319 N VAL A 299 1.604 -0.360 2.417 1.00 15.00 N ATOM 320 CA VAL A 299 2.639 -0.416 3.391 1.00 15.00 C ATOM 321 C VAL A 299 2.198 0.385 4.617 1.00 15.00 C ATOM 322 O VAL A 299 2.387 1.601 4.718 1.00 15.00 O ATOM 323 CB VAL A 299 3.968 0.111 2.796 1.00 15.00 C ATOM 324 CG1 VAL A 299 4.395 -0.743 1.605 1.00 15.00 C ATOM 325 CG2 VAL A 299 3.826 1.554 2.350 1.00 15.00 C ATOM 0 H VAL A 299 1.250 0.581 2.245 1.00 15.00 H new ATOM 0 HA VAL A 299 2.819 -1.447 3.696 1.00 15.00 H new ATOM 0 HB VAL A 299 4.727 0.053 3.576 1.00 15.00 H new ATOM 0 HG11 VAL A 299 5.331 -0.359 1.199 1.00 15.00 H new ATOM 0 HG12 VAL A 299 4.536 -1.774 1.929 1.00 15.00 H new ATOM 0 HG13 VAL A 299 3.623 -0.706 0.836 1.00 15.00 H new ATOM 0 HG21 VAL A 299 4.772 1.902 1.936 1.00 15.00 H new ATOM 0 HG22 VAL A 299 3.049 1.625 1.589 1.00 15.00 H new ATOM 0 HG23 VAL A 299 3.555 2.174 3.204 1.00 15.00 H new ATOM 335 N ASP A 300 1.548 -0.289 5.536 1.00 15.00 N ATOM 336 CA ASP A 300 1.111 0.372 6.742 1.00 15.00 C ATOM 337 C ASP A 300 2.227 0.254 7.759 1.00 15.00 C ATOM 338 O ASP A 300 2.664 -0.844 8.104 1.00 15.00 O ATOM 339 CB ASP A 300 -0.219 -0.214 7.256 1.00 15.00 C ATOM 340 CG ASP A 300 -0.141 -0.713 8.690 1.00 15.00 C ATOM 341 OD1 ASP A 300 -0.136 0.124 9.620 1.00 15.00 O ATOM 342 OD2 ASP A 300 -0.075 -1.940 8.891 1.00 15.00 O1- ATOM 0 H ASP A 300 1.313 -1.280 5.474 1.00 15.00 H new ATOM 0 HA ASP A 300 0.908 1.425 6.548 1.00 15.00 H new ATOM 0 HB2 ASP A 300 -0.995 0.548 7.185 1.00 15.00 H new ATOM 0 HB3 ASP A 300 -0.520 -1.037 6.608 1.00 15.00 H new ATOM 347 N HIS A 301 2.738 1.400 8.179 1.00 15.00 N ATOM 348 CA HIS A 301 3.915 1.427 9.029 1.00 15.00 C ATOM 349 C HIS A 301 3.510 1.326 10.495 1.00 15.00 C ATOM 350 O HIS A 301 4.360 1.241 11.375 1.00 15.00 O ATOM 351 CB HIS A 301 4.739 2.709 8.830 1.00 15.00 C ATOM 352 CG HIS A 301 5.046 3.107 7.409 1.00 15.00 C ATOM 353 ND1 HIS A 301 5.355 2.383 6.303 1.00 15.00 N flip ATOM 354 CD2 HIS A 301 5.176 4.420 7.035 1.00 15.00 C flip ATOM 355 CE1 HIS A 301 5.687 3.261 5.307 1.00 15.00 C flip ATOM 356 NE2 HIS A 301 5.560 4.483 5.780 1.00 15.00 N flip ATOM 0 H HIS A 301 2.359 2.318 7.947 1.00 15.00 H new ATOM 0 HA HIS A 301 4.531 0.573 8.747 1.00 15.00 H new ATOM 0 HB2 HIS A 301 4.206 3.532 9.306 1.00 15.00 H new ATOM 0 HB3 HIS A 301 5.683 2.591 9.361 1.00 15.00 H new ATOM 0 HD1 HIS A 301 5.342 1.366 6.228 1.00 15.00 H new ATOM 0 HD2 HIS A 301 4.991 5.271 7.674 1.00 15.00 H new ATOM 0 HE1 HIS A 301 5.999 2.997 4.307 1.00 15.00 H new ATOM 365 N ASN A 302 2.207 1.340 10.756 1.00 15.00 N ATOM 366 CA ASN A 302 1.708 1.330 12.129 1.00 15.00 C ATOM 367 C ASN A 302 1.609 -0.095 12.647 1.00 15.00 C ATOM 368 O ASN A 302 2.265 -0.462 13.623 1.00 15.00 O ATOM 369 CB ASN A 302 0.338 2.019 12.225 1.00 15.00 C ATOM 370 CG ASN A 302 0.412 3.534 12.109 1.00 15.00 C ATOM 371 OD1 ASN A 302 1.404 4.039 11.390 1.00 15.00 O flip ATOM 372 ND2 ASN A 302 -0.421 4.250 12.667 1.00 15.00 N flip ATOM 0 H ASN A 302 1.480 1.358 10.041 1.00 15.00 H new ATOM 0 HA ASN A 302 2.415 1.885 12.746 1.00 15.00 H new ATOM 0 HB2 ASN A 302 -0.310 1.633 11.438 1.00 15.00 H new ATOM 0 HB3 ASN A 302 -0.126 1.757 13.176 1.00 15.00 H new ATOM 0 HD21 ASN A 302 -1.172 3.828 13.213 1.00 15.00 H new ATOM 0 HD22 ASN A 302 -0.359 5.265 12.583 1.00 15.00 H new ATOM 379 N ASN A 303 0.788 -0.896 11.986 1.00 15.00 N ATOM 380 CA ASN A 303 0.628 -2.302 12.345 1.00 15.00 C ATOM 381 C ASN A 303 1.660 -3.161 11.620 1.00 15.00 C ATOM 382 O ASN A 303 1.967 -4.280 12.046 1.00 15.00 O ATOM 383 CB ASN A 303 -0.798 -2.775 12.011 1.00 15.00 C ATOM 384 CG ASN A 303 -0.987 -4.274 12.172 1.00 15.00 C ATOM 385 OD1 ASN A 303 -0.836 -5.012 11.082 1.00 15.00 O flip ATOM 386 ND2 ASN A 303 -1.293 -4.762 13.261 1.00 15.00 N flip ATOM 0 H ASN A 303 0.219 -0.597 11.194 1.00 15.00 H new ATOM 0 HA ASN A 303 0.789 -2.408 13.418 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -1.506 -2.255 12.656 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -1.036 -2.494 10.985 1.00 15.00 H new ATOM 0 HD21 ASN A 303 -1.400 -4.160 14.078 1.00 15.00 H new ATOM 0 HD22 ASN A 303 -1.439 -5.768 13.346 1.00 15.00 H new ATOM 393 N ARG A 304 2.195 -2.616 10.529 1.00 15.00 N ATOM 394 CA ARG A 304 3.123 -3.324 9.655 1.00 15.00 C ATOM 395 C ARG A 304 2.399 -4.435 8.903 1.00 15.00 C ATOM 396 O ARG A 304 2.355 -5.586 9.343 1.00 15.00 O ATOM 397 CB ARG A 304 4.336 -3.875 10.419 1.00 15.00 C ATOM 398 CG ARG A 304 5.265 -4.710 9.556 1.00 15.00 C ATOM 399 CD ARG A 304 6.471 -5.202 10.333 1.00 15.00 C ATOM 400 NE ARG A 304 7.282 -6.120 9.538 1.00 15.00 N ATOM 401 CZ ARG A 304 8.612 -6.155 9.559 1.00 15.00 C ATOM 402 NH1 ARG A 304 9.294 -5.325 10.335 1.00 15.00 N1+ ATOM 403 NH2 ARG A 304 9.255 -7.029 8.796 1.00 15.00 N ATOM 0 H ARG A 304 1.994 -1.663 10.226 1.00 15.00 H new ATOM 0 HA ARG A 304 3.508 -2.604 8.933 1.00 15.00 H new ATOM 0 HB2 ARG A 304 4.897 -3.043 10.843 1.00 15.00 H new ATOM 0 HB3 ARG A 304 3.985 -4.482 11.254 1.00 15.00 H new ATOM 0 HG2 ARG A 304 4.718 -5.564 9.156 1.00 15.00 H new ATOM 0 HG3 ARG A 304 5.599 -4.118 8.704 1.00 15.00 H new ATOM 0 HD2 ARG A 304 7.079 -4.351 10.641 1.00 15.00 H new ATOM 0 HD3 ARG A 304 6.140 -5.702 11.243 1.00 15.00 H new ATOM 0 HE ARG A 304 6.797 -6.777 8.927 1.00 15.00 H new ATOM 0 HH11 ARG A 304 8.800 -4.653 10.922 1.00 15.00 H new ATOM 0 HH12 ARG A 304 10.313 -5.358 10.345 1.00 15.00 H new ATOM 0 HH21 ARG A 304 8.730 -7.668 8.199 1.00 15.00 H new ATOM 0 HH22 ARG A 304 10.274 -7.062 8.806 1.00 15.00 H new ATOM 417 N THR A 305 1.763 -4.062 7.807 1.00 15.00 N ATOM 418 CA THR A 305 1.085 -5.029 6.966 1.00 15.00 C ATOM 419 C THR A 305 1.087 -4.564 5.509 1.00 15.00 C ATOM 420 O THR A 305 1.120 -3.356 5.233 1.00 15.00 O ATOM 421 CB THR A 305 -0.360 -5.293 7.460 1.00 15.00 C ATOM 422 OG1 THR A 305 -0.783 -6.599 7.050 1.00 15.00 O ATOM 423 CG2 THR A 305 -1.340 -4.252 6.935 1.00 15.00 C ATOM 0 H THR A 305 1.702 -3.098 7.480 1.00 15.00 H new ATOM 0 HA THR A 305 1.630 -5.971 7.029 1.00 15.00 H new ATOM 0 HB THR A 305 -0.353 -5.227 8.548 1.00 15.00 H new ATOM 0 HG1 THR A 305 -1.696 -6.761 7.366 1.00 15.00 H new ATOM 0 HG21 THR A 305 -2.341 -4.475 7.305 1.00 15.00 H new ATOM 0 HG22 THR A 305 -1.038 -3.262 7.278 1.00 15.00 H new ATOM 0 HG23 THR A 305 -1.344 -4.273 5.845 1.00 15.00 H new ATOM 431 N THR A 306 1.086 -5.517 4.588 1.00 15.00 N ATOM 432 CA THR A 306 1.082 -5.207 3.170 1.00 15.00 C ATOM 433 C THR A 306 -0.241 -5.648 2.533 1.00 15.00 C ATOM 434 O THR A 306 -0.615 -6.818 2.599 1.00 15.00 O ATOM 435 CB THR A 306 2.267 -5.887 2.459 1.00 15.00 C ATOM 436 OG1 THR A 306 3.437 -5.831 3.289 1.00 15.00 O ATOM 437 CG2 THR A 306 2.565 -5.202 1.133 1.00 15.00 C ATOM 0 H THR A 306 1.088 -6.515 4.801 1.00 15.00 H new ATOM 0 HA THR A 306 1.186 -4.128 3.056 1.00 15.00 H new ATOM 0 HB THR A 306 1.997 -6.926 2.271 1.00 15.00 H new ATOM 0 HG1 THR A 306 4.230 -6.039 2.752 1.00 15.00 H new ATOM 0 HG21 THR A 306 3.405 -5.698 0.648 1.00 15.00 H new ATOM 0 HG22 THR A 306 1.688 -5.260 0.488 1.00 15.00 H new ATOM 0 HG23 THR A 306 2.815 -4.156 1.312 1.00 15.00 H new ATOM 445 N GLN A 307 -0.946 -4.704 1.922 1.00 15.00 N ATOM 446 CA GLN A 307 -2.295 -4.953 1.410 1.00 15.00 C ATOM 447 C GLN A 307 -2.385 -4.662 -0.087 1.00 15.00 C ATOM 448 O GLN A 307 -2.014 -3.588 -0.531 1.00 15.00 O ATOM 449 CB GLN A 307 -3.293 -4.060 2.159 1.00 15.00 C ATOM 450 CG GLN A 307 -3.368 -4.338 3.653 1.00 15.00 C ATOM 451 CD GLN A 307 -4.000 -5.677 3.982 1.00 15.00 C ATOM 452 OE1 GLN A 307 -4.944 -6.112 3.163 1.00 15.00 O flip ATOM 453 NE2 GLN A 307 -3.655 -6.310 4.976 1.00 15.00 N flip ATOM 0 H GLN A 307 -0.608 -3.754 1.767 1.00 15.00 H new ATOM 0 HA GLN A 307 -2.532 -6.005 1.569 1.00 15.00 H new ATOM 0 HB2 GLN A 307 -3.017 -3.017 2.007 1.00 15.00 H new ATOM 0 HB3 GLN A 307 -4.283 -4.194 1.724 1.00 15.00 H new ATOM 0 HG2 GLN A 307 -2.363 -4.305 4.073 1.00 15.00 H new ATOM 0 HG3 GLN A 307 -3.940 -3.545 4.135 1.00 15.00 H new ATOM 0 HE21 GLN A 307 -2.923 -5.944 5.585 1.00 15.00 H new ATOM 0 HE22 GLN A 307 -4.100 -7.202 5.192 1.00 15.00 H new ATOM 462 N PHE A 308 -2.895 -5.602 -0.866 1.00 15.00 N ATOM 463 CA PHE A 308 -3.119 -5.354 -2.289 1.00 15.00 C ATOM 464 C PHE A 308 -4.485 -4.726 -2.521 1.00 15.00 C ATOM 465 O PHE A 308 -4.769 -4.212 -3.604 1.00 15.00 O ATOM 466 CB PHE A 308 -2.953 -6.623 -3.133 1.00 15.00 C ATOM 467 CG PHE A 308 -1.548 -6.829 -3.623 1.00 15.00 C ATOM 468 CD1 PHE A 308 -0.728 -5.736 -3.864 1.00 15.00 C ATOM 469 CD2 PHE A 308 -1.045 -8.101 -3.859 1.00 15.00 C ATOM 470 CE1 PHE A 308 0.560 -5.905 -4.328 1.00 15.00 C ATOM 471 CE2 PHE A 308 0.241 -8.269 -4.322 1.00 15.00 C ATOM 472 CZ PHE A 308 1.045 -7.172 -4.554 1.00 15.00 C ATOM 0 H PHE A 308 -3.160 -6.534 -0.547 1.00 15.00 H new ATOM 0 HA PHE A 308 -2.353 -4.650 -2.615 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -3.255 -7.487 -2.541 1.00 15.00 H new ATOM 0 HB3 PHE A 308 -3.626 -6.573 -3.989 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -1.103 -4.739 -3.686 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -1.667 -8.965 -3.678 1.00 15.00 H new ATOM 0 HE1 PHE A 308 1.186 -5.045 -4.513 1.00 15.00 H new ATOM 0 HE2 PHE A 308 0.622 -9.263 -4.504 1.00 15.00 H new ATOM 0 HZ PHE A 308 2.055 -7.308 -4.913 1.00 15.00 H new ATOM 482 N THR A 309 -5.334 -4.793 -1.509 1.00 15.00 N ATOM 483 CA THR A 309 -6.638 -4.159 -1.571 1.00 15.00 C ATOM 484 C THR A 309 -6.554 -2.704 -1.108 1.00 15.00 C ATOM 485 O THR A 309 -6.112 -2.413 0.007 1.00 15.00 O ATOM 486 CB THR A 309 -7.688 -4.931 -0.734 1.00 15.00 C ATOM 487 OG1 THR A 309 -8.958 -4.266 -0.782 1.00 15.00 O ATOM 488 CG2 THR A 309 -7.249 -5.088 0.716 1.00 15.00 C ATOM 0 H THR A 309 -5.142 -5.281 -0.634 1.00 15.00 H new ATOM 0 HA THR A 309 -6.962 -4.178 -2.612 1.00 15.00 H new ATOM 0 HB THR A 309 -7.781 -5.925 -1.172 1.00 15.00 H new ATOM 0 HG1 THR A 309 -9.610 -4.768 -0.250 1.00 15.00 H new ATOM 0 HG21 THR A 309 -8.012 -5.635 1.270 1.00 15.00 H new ATOM 0 HG22 THR A 309 -6.309 -5.638 0.754 1.00 15.00 H new ATOM 0 HG23 THR A 309 -7.111 -4.103 1.163 1.00 15.00 H new ATOM 496 N ASP A 310 -6.954 -1.794 -1.982 1.00 15.00 N ATOM 497 CA ASP A 310 -6.973 -0.372 -1.661 1.00 15.00 C ATOM 498 C ASP A 310 -8.399 0.088 -1.376 1.00 15.00 C ATOM 499 O ASP A 310 -9.335 -0.270 -2.095 1.00 15.00 O ATOM 500 CB ASP A 310 -6.373 0.445 -2.810 1.00 15.00 C ATOM 501 CG ASP A 310 -6.575 1.938 -2.628 1.00 15.00 C ATOM 502 OD1 ASP A 310 -5.781 2.574 -1.907 1.00 15.00 O1- ATOM 503 OD2 ASP A 310 -7.541 2.473 -3.197 1.00 15.00 O ATOM 0 H ASP A 310 -7.272 -2.015 -2.926 1.00 15.00 H new ATOM 0 HA ASP A 310 -6.369 -0.212 -0.768 1.00 15.00 H new ATOM 0 HB2 ASP A 310 -5.307 0.232 -2.885 1.00 15.00 H new ATOM 0 HB3 ASP A 310 -6.827 0.132 -3.750 1.00 15.00 H new ATOM 508 N PRO A 311 -8.587 0.881 -0.316 1.00 15.00 N ATOM 509 CA PRO A 311 -9.896 1.391 0.070 1.00 15.00 C ATOM 510 C PRO A 311 -10.333 2.627 -0.724 1.00 15.00 C ATOM 511 O PRO A 311 -11.500 3.009 -0.684 1.00 15.00 O ATOM 512 CB PRO A 311 -9.713 1.735 1.544 1.00 15.00 C ATOM 513 CG PRO A 311 -8.275 2.109 1.671 1.00 15.00 C ATOM 514 CD PRO A 311 -7.529 1.331 0.613 1.00 15.00 C ATOM 0 HA PRO A 311 -10.681 0.661 -0.127 1.00 15.00 H new ATOM 0 HB2 PRO A 311 -10.364 2.557 1.842 1.00 15.00 H new ATOM 0 HB3 PRO A 311 -9.959 0.886 2.182 1.00 15.00 H new ATOM 0 HG2 PRO A 311 -8.140 3.181 1.530 1.00 15.00 H new ATOM 0 HG3 PRO A 311 -7.899 1.869 2.665 1.00 15.00 H new ATOM 0 HD2 PRO A 311 -6.792 1.953 0.106 1.00 15.00 H new ATOM 0 HD3 PRO A 311 -6.991 0.487 1.044 1.00 15.00 H new ATOM 522 N ARG A 312 -9.401 3.262 -1.423 1.00 15.00 N ATOM 523 CA ARG A 312 -9.654 4.572 -2.013 1.00 15.00 C ATOM 524 C ARG A 312 -10.257 4.488 -3.415 1.00 15.00 C ATOM 525 O ARG A 312 -10.826 5.472 -3.885 1.00 15.00 O ATOM 526 CB ARG A 312 -8.366 5.390 -2.072 1.00 15.00 C ATOM 527 CG ARG A 312 -7.607 5.438 -0.761 1.00 15.00 C ATOM 528 CD ARG A 312 -6.353 6.285 -0.883 1.00 15.00 C ATOM 529 NE ARG A 312 -6.656 7.714 -0.962 1.00 15.00 N ATOM 530 CZ ARG A 312 -5.956 8.583 -1.690 1.00 15.00 C ATOM 531 NH1 ARG A 312 -4.994 8.154 -2.501 1.00 15.00 N1+ ATOM 532 NH2 ARG A 312 -6.231 9.880 -1.625 1.00 15.00 N ATOM 0 H ARG A 312 -8.466 2.893 -1.595 1.00 15.00 H new ATOM 0 HA ARG A 312 -10.383 5.061 -1.367 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -7.717 4.972 -2.841 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -8.608 6.408 -2.378 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -8.250 5.845 0.019 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -7.338 4.427 -0.456 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -5.707 6.099 -0.025 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -5.798 5.983 -1.771 1.00 15.00 H new ATOM 0 HE ARG A 312 -7.450 8.066 -0.428 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -4.790 7.157 -2.567 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -4.460 8.822 -3.057 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -6.979 10.213 -1.017 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -5.694 10.544 -2.183 1.00 15.00 H new ATOM 546 N LEU A 313 -10.096 3.346 -4.090 1.00 15.00 N ATOM 547 CA LEU A 313 -10.615 3.172 -5.458 1.00 15.00 C ATOM 548 C LEU A 313 -12.067 3.625 -5.567 1.00 15.00 C ATOM 549 O LEU A 313 -12.328 4.645 -6.241 1.00 15.00 O ATOM 550 CB LEU A 313 -10.520 1.715 -5.938 1.00 15.00 C ATOM 551 CG LEU A 313 -9.118 1.163 -6.234 1.00 15.00 C ATOM 552 CD1 LEU A 313 -8.081 2.273 -6.335 1.00 15.00 C ATOM 553 CD2 LEU A 313 -8.722 0.138 -5.190 1.00 15.00 C ATOM 0 H LEU A 313 -9.613 2.529 -3.717 1.00 15.00 H new ATOM 0 HA LEU A 313 -9.986 3.795 -6.094 1.00 15.00 H new ATOM 0 HB2 LEU A 313 -10.980 1.080 -5.181 1.00 15.00 H new ATOM 0 HB3 LEU A 313 -11.119 1.618 -6.843 1.00 15.00 H new ATOM 0 HG LEU A 313 -9.153 0.671 -7.206 1.00 15.00 H new ATOM 0 HD11 LEU A 313 -7.103 1.839 -6.545 1.00 15.00 H new ATOM 0 HD12 LEU A 313 -8.356 2.956 -7.139 1.00 15.00 H new ATOM 0 HD13 LEU A 313 -8.040 2.820 -5.393 1.00 15.00 H new ATOM 0 HD21 LEU A 313 -7.726 -0.244 -5.414 1.00 15.00 H new ATOM 0 HD22 LEU A 313 -8.719 0.605 -4.205 1.00 15.00 H new ATOM 0 HD23 LEU A 313 -9.436 -0.685 -5.199 1.00 15.00 H new ATOM 566 N ASP B 221 -1.585 -9.288 -8.236 1.00 15.00 N ATOM 567 CA ASP B 221 -0.126 -9.352 -8.471 1.00 15.00 C ATOM 568 C ASP B 221 0.509 -10.299 -7.456 1.00 15.00 C ATOM 569 O ASP B 221 -0.171 -10.763 -6.540 1.00 15.00 O ATOM 570 CB ASP B 221 0.477 -7.940 -8.370 1.00 15.00 C ATOM 571 CG ASP B 221 1.965 -7.912 -8.651 1.00 15.00 C ATOM 572 OD1 ASP B 221 2.387 -8.455 -9.693 1.00 15.00 O1- ATOM 573 OD2 ASP B 221 2.716 -7.370 -7.820 1.00 15.00 O ATOM 0 HA ASP B 221 0.075 -9.735 -9.472 1.00 15.00 H new ATOM 0 HB2 ASP B 221 -0.033 -7.282 -9.074 1.00 15.00 H new ATOM 0 HB3 ASP B 221 0.294 -7.543 -7.372 1.00 15.00 H new ATOM 578 N THR B 222 1.792 -10.597 -7.642 1.00 15.00 N ATOM 579 CA THR B 222 2.553 -11.461 -6.742 1.00 15.00 C ATOM 580 C THR B 222 2.356 -11.040 -5.286 1.00 15.00 C ATOM 581 O THR B 222 2.500 -9.861 -4.972 1.00 15.00 O ATOM 582 CB THR B 222 4.050 -11.384 -7.122 1.00 15.00 C ATOM 583 OG1 THR B 222 4.204 -11.679 -8.518 1.00 15.00 O ATOM 584 CG2 THR B 222 4.916 -12.340 -6.310 1.00 15.00 C ATOM 0 H THR B 222 2.338 -10.243 -8.428 1.00 15.00 H new ATOM 0 HA THR B 222 2.197 -12.486 -6.844 1.00 15.00 H new ATOM 0 HB THR B 222 4.386 -10.371 -6.899 1.00 15.00 H new ATOM 0 HG1 THR B 222 5.152 -11.629 -8.760 1.00 15.00 H new ATOM 0 HG21 THR B 222 5.956 -12.242 -6.620 1.00 15.00 H new ATOM 0 HG22 THR B 222 4.829 -12.099 -5.251 1.00 15.00 H new ATOM 0 HG23 THR B 222 4.583 -13.364 -6.478 1.00 15.00 H new ATOM 592 N PRO B 223 2.061 -11.998 -4.378 1.00 15.00 N ATOM 593 CA PRO B 223 1.649 -11.704 -3.000 1.00 15.00 C ATOM 594 C PRO B 223 2.553 -10.684 -2.303 1.00 15.00 C ATOM 595 O PRO B 223 3.778 -10.706 -2.452 1.00 15.00 O ATOM 596 CB PRO B 223 1.731 -13.070 -2.292 1.00 15.00 C ATOM 597 CG PRO B 223 2.349 -14.006 -3.278 1.00 15.00 C ATOM 598 CD PRO B 223 2.035 -13.444 -4.628 1.00 15.00 C ATOM 0 HA PRO B 223 0.657 -11.253 -2.974 1.00 15.00 H new ATOM 0 HB2 PRO B 223 2.333 -13.005 -1.386 1.00 15.00 H new ATOM 0 HB3 PRO B 223 0.741 -13.415 -1.993 1.00 15.00 H new ATOM 0 HG2 PRO B 223 3.426 -14.079 -3.126 1.00 15.00 H new ATOM 0 HG3 PRO B 223 1.943 -15.012 -3.169 1.00 15.00 H new ATOM 0 HD2 PRO B 223 2.772 -13.741 -5.374 1.00 15.00 H new ATOM 0 HD3 PRO B 223 1.063 -13.777 -4.991 1.00 15.00 H new ATOM 606 N PRO B 224 1.926 -9.819 -1.478 1.00 15.00 N ATOM 607 CA PRO B 224 2.522 -8.568 -0.985 1.00 15.00 C ATOM 608 C PRO B 224 3.929 -8.709 -0.397 1.00 15.00 C ATOM 609 O PRO B 224 4.208 -9.609 0.396 1.00 15.00 O ATOM 610 CB PRO B 224 1.540 -8.096 0.097 1.00 15.00 C ATOM 611 CG PRO B 224 0.579 -9.208 0.314 1.00 15.00 C ATOM 612 CD PRO B 224 0.568 -10.012 -0.947 1.00 15.00 C ATOM 0 HA PRO B 224 2.660 -7.871 -1.812 1.00 15.00 H new ATOM 0 HB2 PRO B 224 2.067 -7.854 1.020 1.00 15.00 H new ATOM 0 HB3 PRO B 224 1.021 -7.191 -0.219 1.00 15.00 H new ATOM 0 HG2 PRO B 224 0.881 -9.822 1.163 1.00 15.00 H new ATOM 0 HG3 PRO B 224 -0.416 -8.823 0.537 1.00 15.00 H new ATOM 0 HD2 PRO B 224 0.357 -11.064 -0.753 1.00 15.00 H new ATOM 0 HD3 PRO B 224 -0.191 -9.658 -1.644 1.00 15.00 H new ATOM 620 N PRO B 225 4.820 -7.777 -0.783 1.00 15.00 N ATOM 621 CA PRO B 225 6.215 -7.732 -0.339 1.00 15.00 C ATOM 622 C PRO B 225 6.388 -6.962 0.972 1.00 15.00 C ATOM 623 O PRO B 225 5.411 -6.483 1.549 1.00 15.00 O ATOM 624 CB PRO B 225 6.887 -6.984 -1.485 1.00 15.00 C ATOM 625 CG PRO B 225 5.869 -6.008 -1.932 1.00 15.00 C ATOM 626 CD PRO B 225 4.525 -6.663 -1.708 1.00 15.00 C ATOM 0 HA PRO B 225 6.625 -8.721 -0.136 1.00 15.00 H new ATOM 0 HB2 PRO B 225 7.798 -6.485 -1.154 1.00 15.00 H new ATOM 0 HB3 PRO B 225 7.169 -7.662 -2.291 1.00 15.00 H new ATOM 0 HG2 PRO B 225 5.947 -5.079 -1.368 1.00 15.00 H new ATOM 0 HG3 PRO B 225 6.008 -5.755 -2.983 1.00 15.00 H new ATOM 0 HD2 PRO B 225 3.808 -5.965 -1.276 1.00 15.00 H new ATOM 0 HD3 PRO B 225 4.096 -7.023 -2.643 1.00 15.00 H new ATOM 634 N ALA B 226 7.630 -6.865 1.445 1.00 15.00 N ATOM 635 CA ALA B 226 7.940 -6.095 2.651 1.00 15.00 C ATOM 636 C ALA B 226 7.530 -4.632 2.475 1.00 15.00 C ATOM 637 O ALA B 226 7.539 -4.106 1.359 1.00 15.00 O ATOM 638 CB ALA B 226 9.423 -6.197 2.980 1.00 15.00 C ATOM 0 H ALA B 226 8.439 -7.310 1.012 1.00 15.00 H new ATOM 0 HA ALA B 226 7.372 -6.513 3.482 1.00 15.00 H new ATOM 0 HB1 ALA B 226 9.637 -5.619 3.879 1.00 15.00 H new ATOM 0 HB2 ALA B 226 9.687 -7.241 3.148 1.00 15.00 H new ATOM 0 HB3 ALA B 226 10.008 -5.804 2.148 1.00 15.00 H new ATOM 644 N TYR B 227 7.186 -3.971 3.574 1.00 15.00 N ATOM 645 CA TYR B 227 6.635 -2.624 3.498 1.00 15.00 C ATOM 646 C TYR B 227 7.728 -1.554 3.552 1.00 15.00 C ATOM 647 O TYR B 227 8.610 -1.565 4.416 1.00 15.00 O ATOM 648 CB TYR B 227 5.610 -2.385 4.616 1.00 15.00 C ATOM 649 CG TYR B 227 6.216 -1.926 5.925 1.00 15.00 C ATOM 650 CD1 TYR B 227 6.779 -2.821 6.824 1.00 15.00 C ATOM 651 CD2 TYR B 227 6.240 -0.579 6.243 1.00 15.00 C ATOM 652 CE1 TYR B 227 7.350 -2.377 8.004 1.00 15.00 C ATOM 653 CE2 TYR B 227 6.803 -0.125 7.412 1.00 15.00 C ATOM 654 CZ TYR B 227 7.360 -1.027 8.295 1.00 15.00 C ATOM 655 OH TYR B 227 7.926 -0.585 9.469 1.00 15.00 O ATOM 0 H TYR B 227 7.278 -4.342 4.520 1.00 15.00 H new ATOM 0 HA TYR B 227 6.133 -2.542 2.534 1.00 15.00 H new ATOM 0 HB2 TYR B 227 4.890 -1.639 4.280 1.00 15.00 H new ATOM 0 HB3 TYR B 227 5.056 -3.307 4.789 1.00 15.00 H new ATOM 0 HD1 TYR B 227 6.771 -3.877 6.600 1.00 15.00 H new ATOM 0 HD2 TYR B 227 5.806 0.132 5.556 1.00 15.00 H new ATOM 0 HE1 TYR B 227 7.786 -3.084 8.695 1.00 15.00 H new ATOM 0 HE2 TYR B 227 6.809 0.931 7.638 1.00 15.00 H new ATOM 0 HH TYR B 227 7.852 0.391 9.521 1.00 15.00 H new ATOM 665 N LEU B 228 7.672 -0.655 2.590 1.00 15.00 N ATOM 666 CA LEU B 228 8.489 0.547 2.580 1.00 15.00 C ATOM 667 C LEU B 228 7.589 1.744 2.321 1.00 15.00 C ATOM 668 O LEU B 228 6.537 1.580 1.738 1.00 15.00 O ATOM 669 CB LEU B 228 9.583 0.452 1.509 1.00 15.00 C ATOM 670 CG LEU B 228 10.693 -0.562 1.789 1.00 15.00 C ATOM 671 CD1 LEU B 228 11.655 -0.636 0.614 1.00 15.00 C ATOM 672 CD2 LEU B 228 11.438 -0.189 3.061 1.00 15.00 C ATOM 0 H LEU B 228 7.052 -0.737 1.784 1.00 15.00 H new ATOM 0 HA LEU B 228 8.983 0.661 3.545 1.00 15.00 H new ATOM 0 HB2 LEU B 228 9.115 0.198 0.558 1.00 15.00 H new ATOM 0 HB3 LEU B 228 10.036 1.436 1.389 1.00 15.00 H new ATOM 0 HG LEU B 228 10.240 -1.544 1.925 1.00 15.00 H new ATOM 0 HD11 LEU B 228 12.438 -1.362 0.830 1.00 15.00 H new ATOM 0 HD12 LEU B 228 11.113 -0.942 -0.281 1.00 15.00 H new ATOM 0 HD13 LEU B 228 12.104 0.343 0.449 1.00 15.00 H new ATOM 0 HD21 LEU B 228 12.225 -0.919 3.249 1.00 15.00 H new ATOM 0 HD22 LEU B 228 11.880 0.801 2.947 1.00 15.00 H new ATOM 0 HD23 LEU B 228 10.743 -0.181 3.901 1.00 15.00 H new ATOM 684 N PRO B 229 8.008 2.973 2.638 1.00 15.00 N ATOM 685 CA PRO B 229 7.106 4.123 2.582 1.00 15.00 C ATOM 686 C PRO B 229 7.065 4.768 1.199 1.00 15.00 C ATOM 687 O PRO B 229 7.978 4.609 0.390 1.00 15.00 O ATOM 688 CB PRO B 229 7.740 5.115 3.578 1.00 15.00 C ATOM 689 CG PRO B 229 8.890 4.401 4.209 1.00 15.00 C ATOM 690 CD PRO B 229 9.280 3.306 3.265 1.00 15.00 C ATOM 0 HA PRO B 229 6.079 3.836 2.809 1.00 15.00 H new ATOM 0 HB2 PRO B 229 8.076 6.017 3.067 1.00 15.00 H new ATOM 0 HB3 PRO B 229 7.016 5.426 4.331 1.00 15.00 H new ATOM 0 HG2 PRO B 229 9.724 5.082 4.379 1.00 15.00 H new ATOM 0 HG3 PRO B 229 8.608 3.994 5.180 1.00 15.00 H new ATOM 0 HD2 PRO B 229 10.018 3.641 2.536 1.00 15.00 H new ATOM 0 HD3 PRO B 229 9.712 2.453 3.788 1.00 15.00 H new ATOM 698 N PRO B 230 5.994 5.534 0.935 1.00 15.00 N ATOM 699 CA PRO B 230 5.396 5.633 -0.390 1.00 15.00 C ATOM 700 C PRO B 230 5.941 6.725 -1.296 1.00 15.00 C ATOM 701 O PRO B 230 6.449 7.754 -0.847 1.00 15.00 O ATOM 702 CB PRO B 230 3.946 5.937 -0.033 1.00 15.00 C ATOM 703 CG PRO B 230 4.025 6.796 1.181 1.00 15.00 C ATOM 704 CD PRO B 230 5.288 6.402 1.905 1.00 15.00 C ATOM 0 HA PRO B 230 5.590 4.731 -0.971 1.00 15.00 H new ATOM 0 HB2 PRO B 230 3.437 6.451 -0.849 1.00 15.00 H new ATOM 0 HB3 PRO B 230 3.387 5.022 0.165 1.00 15.00 H new ATOM 0 HG2 PRO B 230 4.048 7.851 0.908 1.00 15.00 H new ATOM 0 HG3 PRO B 230 3.152 6.650 1.817 1.00 15.00 H new ATOM 0 HD2 PRO B 230 5.886 7.274 2.171 1.00 15.00 H new ATOM 0 HD3 PRO B 230 5.069 5.871 2.832 1.00 15.00 H new ATOM 712 N GLU B 231 5.792 6.472 -2.589 1.00 15.00 N ATOM 713 CA GLU B 231 6.097 7.432 -3.629 1.00 15.00 C ATOM 714 C GLU B 231 4.920 7.473 -4.620 1.00 15.00 C ATOM 715 O GLU B 231 4.775 6.577 -5.447 1.00 15.00 O ATOM 716 CB GLU B 231 7.410 7.053 -4.332 1.00 15.00 C ATOM 717 CG GLU B 231 7.460 5.615 -4.846 1.00 15.00 C ATOM 718 CD GLU B 231 8.865 5.181 -5.189 1.00 15.00 C ATOM 719 OE1 GLU B 231 9.295 5.383 -6.341 1.00 15.00 O1- ATOM 720 OE2 GLU B 231 9.552 4.631 -4.302 1.00 15.00 O ATOM 0 H GLU B 231 5.450 5.579 -2.945 1.00 15.00 H new ATOM 0 HA GLU B 231 6.233 8.424 -3.199 1.00 15.00 H new ATOM 0 HB2 GLU B 231 7.567 7.731 -5.171 1.00 15.00 H new ATOM 0 HB3 GLU B 231 8.237 7.207 -3.638 1.00 15.00 H new ATOM 0 HG2 GLU B 231 7.049 4.946 -4.090 1.00 15.00 H new ATOM 0 HG3 GLU B 231 6.828 5.524 -5.729 1.00 15.00 H new