USER MOD reduce.3.24.130724 H: found=0, std=0, add=292, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 292 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 301 HIS : no HE2:sc= 0.395! C(o=1.8!,f=-12!) USER MOD Set 1.2: B 211 TYR OH : rot 34:sc= 1.42! USER MOD Set 2.1: A 291 THR OG1 : rot -170:sc= -0.545 USER MOD Set 2.2: A 293 SER OG : rot -130:sc= 0.147 USER MOD Single : A 290 SER OG : rot 19:sc= 0.821 USER MOD Single : A 297 TYR OH : rot 180:sc= -0.0129 USER MOD Single : A 302 ASN : amide:sc= 0.895 K(o=0.9,f=-0.31) USER MOD Single : A 303 ASN :FLIP amide:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 305 THR OG1 : rot 180:sc= 0 USER MOD Single : A 306 THR OG1 : rot -150:sc= 0.114 USER MOD Single : A 307 GLN : amide:sc= -0.0113 X(o=-0.011,f=0.031) USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N PRO A 283 8.684 5.010 -6.472 1.00 15.00 N ATOM 44 CA PRO A 283 8.125 5.391 -7.776 1.00 15.00 C ATOM 45 C PRO A 283 6.704 5.939 -7.654 1.00 15.00 C ATOM 46 O PRO A 283 5.936 5.496 -6.800 1.00 15.00 O ATOM 47 CB PRO A 283 8.116 4.074 -8.567 1.00 15.00 C ATOM 48 CG PRO A 283 8.989 3.141 -7.797 1.00 15.00 C ATOM 49 CD PRO A 283 8.865 3.558 -6.366 1.00 15.00 C ATOM 0 HA PRO A 283 8.705 6.183 -8.249 1.00 15.00 H new ATOM 0 HB2 PRO A 283 7.104 3.679 -8.660 1.00 15.00 H new ATOM 0 HB3 PRO A 283 8.495 4.221 -9.579 1.00 15.00 H new ATOM 0 HG2 PRO A 283 8.672 2.107 -7.932 1.00 15.00 H new ATOM 0 HG3 PRO A 283 10.023 3.204 -8.135 1.00 15.00 H new ATOM 0 HD2 PRO A 283 8.018 3.078 -5.876 1.00 15.00 H new ATOM 0 HD3 PRO A 283 9.754 3.301 -5.790 1.00 15.00 H new ATOM 57 N PRO A 284 6.325 6.879 -8.539 1.00 15.00 N ATOM 58 CA PRO A 284 5.008 7.535 -8.500 1.00 15.00 C ATOM 59 C PRO A 284 3.844 6.572 -8.743 1.00 15.00 C ATOM 60 O PRO A 284 2.678 6.945 -8.609 1.00 15.00 O ATOM 61 CB PRO A 284 5.086 8.575 -9.623 1.00 15.00 C ATOM 62 CG PRO A 284 6.158 8.080 -10.529 1.00 15.00 C ATOM 63 CD PRO A 284 7.155 7.389 -9.643 1.00 15.00 C ATOM 0 HA PRO A 284 4.810 7.960 -7.516 1.00 15.00 H new ATOM 0 HB2 PRO A 284 4.134 8.662 -10.147 1.00 15.00 H new ATOM 0 HB3 PRO A 284 5.325 9.563 -9.230 1.00 15.00 H new ATOM 0 HG2 PRO A 284 5.755 7.394 -11.274 1.00 15.00 H new ATOM 0 HG3 PRO A 284 6.622 8.903 -11.072 1.00 15.00 H new ATOM 0 HD2 PRO A 284 7.669 6.583 -10.167 1.00 15.00 H new ATOM 0 HD3 PRO A 284 7.922 8.077 -9.286 1.00 15.00 H new ATOM 71 N GLY A 285 4.161 5.340 -9.129 1.00 15.00 N ATOM 72 CA GLY A 285 3.138 4.324 -9.269 1.00 15.00 C ATOM 73 C GLY A 285 2.724 3.776 -7.920 1.00 15.00 C ATOM 74 O GLY A 285 1.645 3.194 -7.771 1.00 15.00 O ATOM 0 H GLY A 285 5.108 5.029 -9.347 1.00 15.00 H new ATOM 0 HA2 GLY A 285 2.270 4.746 -9.775 1.00 15.00 H new ATOM 0 HA3 GLY A 285 3.510 3.513 -9.895 1.00 15.00 H new ATOM 78 N TRP A 286 3.582 3.992 -6.933 1.00 15.00 N ATOM 79 CA TRP A 286 3.343 3.528 -5.579 1.00 15.00 C ATOM 80 C TRP A 286 2.597 4.582 -4.779 1.00 15.00 C ATOM 81 O TRP A 286 3.152 5.633 -4.448 1.00 15.00 O ATOM 82 CB TRP A 286 4.676 3.172 -4.901 1.00 15.00 C ATOM 83 CG TRP A 286 5.163 1.817 -5.299 1.00 15.00 C ATOM 84 CD1 TRP A 286 5.539 1.414 -6.547 1.00 15.00 C ATOM 85 CD2 TRP A 286 5.285 0.673 -4.452 1.00 15.00 C ATOM 86 NE1 TRP A 286 5.867 0.080 -6.532 1.00 15.00 N ATOM 87 CE2 TRP A 286 5.714 -0.398 -5.259 1.00 15.00 C ATOM 88 CE3 TRP A 286 5.065 0.445 -3.091 1.00 15.00 C ATOM 89 CZ2 TRP A 286 5.918 -1.681 -4.752 1.00 15.00 C ATOM 90 CZ3 TRP A 286 5.261 -0.825 -2.597 1.00 15.00 C ATOM 91 CH2 TRP A 286 5.674 -1.877 -3.422 1.00 15.00 C ATOM 0 H TRP A 286 4.462 4.494 -7.051 1.00 15.00 H new ATOM 0 HA TRP A 286 2.724 2.632 -5.619 1.00 15.00 H new ATOM 0 HB2 TRP A 286 5.426 3.918 -5.163 1.00 15.00 H new ATOM 0 HB3 TRP A 286 4.553 3.209 -3.819 1.00 15.00 H new ATOM 0 HD1 TRP A 286 5.574 2.050 -7.419 1.00 15.00 H new ATOM 0 HE1 TRP A 286 6.174 -0.465 -7.338 1.00 15.00 H new ATOM 0 HE3 TRP A 286 4.748 1.247 -2.441 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 6.256 -2.488 -5.386 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 5.092 -1.014 -1.547 1.00 15.00 H new ATOM 0 HH2 TRP A 286 5.802 -2.863 -2.999 1.00 15.00 H new ATOM 102 N GLU A 287 1.328 4.325 -4.497 1.00 15.00 N ATOM 103 CA GLU A 287 0.540 5.258 -3.725 1.00 15.00 C ATOM 104 C GLU A 287 0.559 4.822 -2.260 1.00 15.00 C ATOM 105 O GLU A 287 -0.047 3.813 -1.890 1.00 15.00 O ATOM 106 CB GLU A 287 -0.874 5.297 -4.287 1.00 15.00 C ATOM 107 CG GLU A 287 -1.709 6.473 -3.829 1.00 15.00 C ATOM 108 CD GLU A 287 -1.451 7.707 -4.666 1.00 15.00 C ATOM 109 OE1 GLU A 287 -1.995 7.791 -5.792 1.00 15.00 O ATOM 110 OE2 GLU A 287 -0.701 8.597 -4.213 1.00 15.00 O1- ATOM 0 H GLU A 287 0.831 3.484 -4.791 1.00 15.00 H new ATOM 0 HA GLU A 287 0.953 6.265 -3.786 1.00 15.00 H new ATOM 0 HB2 GLU A 287 -0.817 5.313 -5.375 1.00 15.00 H new ATOM 0 HB3 GLU A 287 -1.386 4.376 -4.008 1.00 15.00 H new ATOM 0 HG2 GLU A 287 -2.766 6.211 -3.884 1.00 15.00 H new ATOM 0 HG3 GLU A 287 -1.488 6.690 -2.784 1.00 15.00 H new ATOM 117 N VAL A 288 1.304 5.559 -1.443 1.00 15.00 N ATOM 118 CA VAL A 288 1.574 5.150 -0.070 1.00 15.00 C ATOM 119 C VAL A 288 0.520 5.677 0.907 1.00 15.00 C ATOM 120 O VAL A 288 0.167 6.861 0.890 1.00 15.00 O ATOM 121 CB VAL A 288 2.991 5.592 0.379 1.00 15.00 C ATOM 122 CG1 VAL A 288 3.165 7.100 0.262 1.00 15.00 C ATOM 123 CG2 VAL A 288 3.285 5.125 1.799 1.00 15.00 C ATOM 0 H VAL A 288 1.733 6.445 -1.709 1.00 15.00 H new ATOM 0 HA VAL A 288 1.526 4.061 -0.053 1.00 15.00 H new ATOM 0 HB VAL A 288 3.709 5.120 -0.291 1.00 15.00 H new ATOM 0 HG11 VAL A 288 4.169 7.377 0.584 1.00 15.00 H new ATOM 0 HG12 VAL A 288 3.020 7.404 -0.775 1.00 15.00 H new ATOM 0 HG13 VAL A 288 2.431 7.601 0.893 1.00 15.00 H new ATOM 0 HG21 VAL A 288 4.285 5.448 2.089 1.00 15.00 H new ATOM 0 HG22 VAL A 288 2.553 5.555 2.482 1.00 15.00 H new ATOM 0 HG23 VAL A 288 3.228 4.037 1.843 1.00 15.00 H new ATOM 133 N ARG A 289 0.009 4.776 1.745 1.00 15.00 N ATOM 134 CA ARG A 289 -1.000 5.107 2.746 1.00 15.00 C ATOM 135 C ARG A 289 -0.787 4.257 3.999 1.00 15.00 C ATOM 136 O ARG A 289 -0.291 3.136 3.909 1.00 15.00 O ATOM 137 CB ARG A 289 -2.398 4.888 2.157 1.00 15.00 C ATOM 138 CG ARG A 289 -2.918 6.086 1.387 1.00 15.00 C ATOM 139 CD ARG A 289 -2.942 7.314 2.273 1.00 15.00 C ATOM 140 NE ARG A 289 -3.112 8.556 1.527 1.00 15.00 N ATOM 141 CZ ARG A 289 -3.006 9.764 2.075 1.00 15.00 C ATOM 142 NH1 ARG A 289 -2.819 9.883 3.386 1.00 15.00 N1+ ATOM 143 NH2 ARG A 289 -3.114 10.849 1.320 1.00 15.00 N ATOM 0 H ARG A 289 0.285 3.794 1.748 1.00 15.00 H new ATOM 0 HA ARG A 289 -0.908 6.155 3.030 1.00 15.00 H new ATOM 0 HB2 ARG A 289 -2.375 4.022 1.496 1.00 15.00 H new ATOM 0 HB3 ARG A 289 -3.092 4.654 2.964 1.00 15.00 H new ATOM 0 HG2 ARG A 289 -2.287 6.269 0.518 1.00 15.00 H new ATOM 0 HG3 ARG A 289 -3.921 5.879 1.014 1.00 15.00 H new ATOM 0 HD2 ARG A 289 -3.753 7.217 2.995 1.00 15.00 H new ATOM 0 HD3 ARG A 289 -2.013 7.363 2.841 1.00 15.00 H new ATOM 0 HE ARG A 289 -3.324 8.495 0.531 1.00 15.00 H new ATOM 0 HH11 ARG A 289 -2.757 9.049 3.970 1.00 15.00 H new ATOM 0 HH12 ARG A 289 -2.738 10.808 3.808 1.00 15.00 H new ATOM 0 HH21 ARG A 289 -3.279 10.758 0.317 1.00 15.00 H new ATOM 0 HH22 ARG A 289 -3.032 11.774 1.742 1.00 15.00 H new ATOM 157 N SER A 290 -1.152 4.781 5.169 1.00 15.00 N ATOM 158 CA SER A 290 -0.884 4.077 6.421 1.00 15.00 C ATOM 159 C SER A 290 -2.123 4.038 7.325 1.00 15.00 C ATOM 160 O SER A 290 -2.817 5.037 7.493 1.00 15.00 O ATOM 161 CB SER A 290 0.285 4.739 7.155 1.00 15.00 C ATOM 162 OG SER A 290 0.747 3.923 8.220 1.00 15.00 O ATOM 0 H SER A 290 -1.627 5.677 5.275 1.00 15.00 H new ATOM 0 HA SER A 290 -0.621 3.048 6.176 1.00 15.00 H new ATOM 0 HB2 SER A 290 1.100 4.925 6.455 1.00 15.00 H new ATOM 0 HB3 SER A 290 -0.028 5.708 7.544 1.00 15.00 H new ATOM 0 HG SER A 290 0.435 3.004 8.087 1.00 15.00 H new ATOM 168 N THR A 291 -2.364 2.877 7.927 1.00 15.00 N ATOM 169 CA THR A 291 -3.518 2.668 8.795 1.00 15.00 C ATOM 170 C THR A 291 -3.192 3.009 10.248 1.00 15.00 C ATOM 171 O THR A 291 -2.051 2.858 10.692 1.00 15.00 O ATOM 172 CB THR A 291 -4.006 1.209 8.718 1.00 15.00 C ATOM 173 OG1 THR A 291 -2.896 0.332 8.480 1.00 15.00 O ATOM 174 CG2 THR A 291 -5.048 1.030 7.627 1.00 15.00 C ATOM 0 H THR A 291 -1.766 2.057 7.827 1.00 15.00 H new ATOM 0 HA THR A 291 -4.306 3.334 8.444 1.00 15.00 H new ATOM 0 HB THR A 291 -4.469 0.959 9.673 1.00 15.00 H new ATOM 0 HG1 THR A 291 -3.228 -0.567 8.276 1.00 15.00 H new ATOM 0 HG21 THR A 291 -5.371 -0.011 7.600 1.00 15.00 H new ATOM 0 HG22 THR A 291 -5.905 1.671 7.834 1.00 15.00 H new ATOM 0 HG23 THR A 291 -4.616 1.301 6.664 1.00 15.00 H new ATOM 182 N VAL A 292 -4.211 3.451 10.986 1.00 15.00 N ATOM 183 CA VAL A 292 -4.050 3.864 12.381 1.00 15.00 C ATOM 184 C VAL A 292 -3.610 2.691 13.268 1.00 15.00 C ATOM 185 O VAL A 292 -3.064 2.891 14.353 1.00 15.00 O ATOM 186 CB VAL A 292 -5.359 4.478 12.930 1.00 15.00 C ATOM 187 CG1 VAL A 292 -5.153 5.066 14.318 1.00 15.00 C ATOM 188 CG2 VAL A 292 -5.889 5.539 11.979 1.00 15.00 C ATOM 0 H VAL A 292 -5.166 3.533 10.637 1.00 15.00 H new ATOM 0 HA VAL A 292 -3.268 4.623 12.405 1.00 15.00 H new ATOM 0 HB VAL A 292 -6.095 3.678 13.009 1.00 15.00 H new ATOM 0 HG11 VAL A 292 -6.091 5.490 14.676 1.00 15.00 H new ATOM 0 HG12 VAL A 292 -4.825 4.282 15.000 1.00 15.00 H new ATOM 0 HG13 VAL A 292 -4.395 5.848 14.273 1.00 15.00 H new ATOM 0 HG21 VAL A 292 -6.810 5.960 12.381 1.00 15.00 H new ATOM 0 HG22 VAL A 292 -5.147 6.330 11.866 1.00 15.00 H new ATOM 0 HG23 VAL A 292 -6.090 5.089 11.007 1.00 15.00 H new ATOM 198 N SER A 293 -3.834 1.472 12.791 1.00 15.00 N ATOM 199 CA SER A 293 -3.365 0.268 13.475 1.00 15.00 C ATOM 200 C SER A 293 -1.840 0.249 13.601 1.00 15.00 C ATOM 201 O SER A 293 -1.277 -0.561 14.341 1.00 15.00 O ATOM 202 CB SER A 293 -3.864 -0.992 12.763 1.00 15.00 C ATOM 203 OG SER A 293 -3.732 -0.879 11.353 1.00 15.00 O ATOM 0 H SER A 293 -4.342 1.289 11.926 1.00 15.00 H new ATOM 0 HA SER A 293 -3.779 0.282 14.483 1.00 15.00 H new ATOM 0 HB2 SER A 293 -3.301 -1.857 13.114 1.00 15.00 H new ATOM 0 HB3 SER A 293 -4.909 -1.166 13.019 1.00 15.00 H new ATOM 0 HG SER A 293 -4.580 -1.119 10.925 1.00 15.00 H new ATOM 209 N GLY A 294 -1.175 1.115 12.846 1.00 15.00 N ATOM 210 CA GLY A 294 0.270 1.145 12.837 1.00 15.00 C ATOM 211 C GLY A 294 0.829 0.233 11.777 1.00 15.00 C ATOM 212 O GLY A 294 1.838 -0.445 11.980 1.00 15.00 O ATOM 0 H GLY A 294 -1.618 1.802 12.236 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.614 2.164 12.661 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.648 0.845 13.814 1.00 15.00 H new ATOM 216 N ARG A 295 0.154 0.220 10.638 1.00 15.00 N ATOM 217 CA ARG A 295 0.560 -0.592 9.506 1.00 15.00 C ATOM 218 C ARG A 295 0.652 0.264 8.259 1.00 15.00 C ATOM 219 O ARG A 295 -0.137 1.190 8.063 1.00 15.00 O ATOM 220 CB ARG A 295 -0.433 -1.734 9.266 1.00 15.00 C ATOM 221 CG ARG A 295 -0.424 -2.786 10.357 1.00 15.00 C ATOM 222 CD ARG A 295 -1.355 -3.946 10.038 1.00 15.00 C ATOM 223 NE ARG A 295 -2.754 -3.593 10.270 1.00 15.00 N ATOM 224 CZ ARG A 295 -3.705 -4.482 10.553 1.00 15.00 C ATOM 225 NH1 ARG A 295 -3.416 -5.777 10.611 1.00 15.00 N1+ ATOM 226 NH2 ARG A 295 -4.948 -4.074 10.779 1.00 15.00 N ATOM 0 H ARG A 295 -0.688 0.771 10.474 1.00 15.00 H new ATOM 0 HA ARG A 295 1.537 -1.019 9.731 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -1.437 -1.319 9.181 1.00 15.00 H new ATOM 0 HB3 ARG A 295 -0.203 -2.210 8.313 1.00 15.00 H new ATOM 0 HG2 ARG A 295 0.591 -3.162 10.490 1.00 15.00 H new ATOM 0 HG3 ARG A 295 -0.722 -2.331 11.302 1.00 15.00 H new ATOM 0 HD2 ARG A 295 -1.222 -4.244 8.998 1.00 15.00 H new ATOM 0 HD3 ARG A 295 -1.089 -4.806 10.653 1.00 15.00 H new ATOM 0 HE ARG A 295 -3.018 -2.609 10.212 1.00 15.00 H new ATOM 0 HH11 ARG A 295 -2.462 -6.095 10.438 1.00 15.00 H new ATOM 0 HH12 ARG A 295 -4.148 -6.454 10.828 1.00 15.00 H new ATOM 0 HH21 ARG A 295 -5.174 -3.080 10.736 1.00 15.00 H new ATOM 0 HH22 ARG A 295 -5.677 -4.754 10.996 1.00 15.00 H new ATOM 240 N ILE A 296 1.600 -0.057 7.409 1.00 15.00 N ATOM 241 CA ILE A 296 1.701 0.580 6.115 1.00 15.00 C ATOM 242 C ILE A 296 0.873 -0.236 5.134 1.00 15.00 C ATOM 243 O ILE A 296 0.730 -1.444 5.306 1.00 15.00 O ATOM 244 CB ILE A 296 3.177 0.664 5.650 1.00 15.00 C ATOM 245 CG1 ILE A 296 3.303 1.487 4.364 1.00 15.00 C ATOM 246 CG2 ILE A 296 3.760 -0.727 5.457 1.00 15.00 C ATOM 247 CD1 ILE A 296 2.935 2.942 4.545 1.00 15.00 C ATOM 0 H ILE A 296 2.316 -0.760 7.591 1.00 15.00 H new ATOM 0 HA ILE A 296 1.326 1.602 6.170 1.00 15.00 H new ATOM 0 HB ILE A 296 3.747 1.169 6.430 1.00 15.00 H new ATOM 0 HG12 ILE A 296 4.328 1.422 3.998 1.00 15.00 H new ATOM 0 HG13 ILE A 296 2.663 1.050 3.598 1.00 15.00 H new ATOM 0 HG21 ILE A 296 4.797 -0.645 5.131 1.00 15.00 H new ATOM 0 HG22 ILE A 296 3.719 -1.273 6.400 1.00 15.00 H new ATOM 0 HG23 ILE A 296 3.183 -1.262 4.702 1.00 15.00 H new ATOM 0 HD11 ILE A 296 3.047 3.466 3.596 1.00 15.00 H new ATOM 0 HD12 ILE A 296 1.901 3.017 4.881 1.00 15.00 H new ATOM 0 HD13 ILE A 296 3.592 3.394 5.288 1.00 15.00 H new ATOM 259 N TYR A 297 0.295 0.403 4.134 1.00 15.00 N ATOM 260 CA TYR A 297 -0.552 -0.319 3.208 1.00 15.00 C ATOM 261 C TYR A 297 -0.499 0.328 1.854 1.00 15.00 C ATOM 262 O TYR A 297 -0.670 1.540 1.699 1.00 15.00 O ATOM 263 CB TYR A 297 -2.004 -0.467 3.708 1.00 15.00 C ATOM 264 CG TYR A 297 -2.870 0.779 3.688 1.00 15.00 C ATOM 265 CD1 TYR A 297 -3.595 1.137 2.549 1.00 15.00 C ATOM 266 CD2 TYR A 297 -3.006 1.567 4.822 1.00 15.00 C ATOM 267 CE1 TYR A 297 -4.419 2.250 2.551 1.00 15.00 C ATOM 268 CE2 TYR A 297 -3.835 2.673 4.831 1.00 15.00 C ATOM 269 CZ TYR A 297 -4.538 3.013 3.698 1.00 15.00 C ATOM 270 OH TYR A 297 -5.363 4.118 3.712 1.00 15.00 O ATOM 0 H TYR A 297 0.394 1.400 3.945 1.00 15.00 H new ATOM 0 HA TYR A 297 -0.161 -1.334 3.133 1.00 15.00 H new ATOM 0 HB2 TYR A 297 -2.494 -1.230 3.103 1.00 15.00 H new ATOM 0 HB3 TYR A 297 -1.973 -0.842 4.731 1.00 15.00 H new ATOM 0 HD1 TYR A 297 -3.512 0.538 1.654 1.00 15.00 H new ATOM 0 HD2 TYR A 297 -2.454 1.311 5.714 1.00 15.00 H new ATOM 0 HE1 TYR A 297 -4.966 2.521 1.660 1.00 15.00 H new ATOM 0 HE2 TYR A 297 -3.931 3.270 5.726 1.00 15.00 H new ATOM 0 HH TYR A 297 -5.331 4.539 4.596 1.00 15.00 H new ATOM 280 N PHE A 298 -0.226 -0.488 0.880 1.00 15.00 N ATOM 281 CA PHE A 298 -0.080 -0.023 -0.453 1.00 15.00 C ATOM 282 C PHE A 298 -1.257 -0.266 -1.321 1.00 15.00 C ATOM 283 O PHE A 298 -1.970 -1.256 -1.203 1.00 15.00 O ATOM 284 CB PHE A 298 1.133 -0.630 -1.088 1.00 15.00 C ATOM 285 CG PHE A 298 2.308 0.220 -0.866 1.00 15.00 C ATOM 286 CD1 PHE A 298 2.355 1.449 -1.488 1.00 15.00 C ATOM 287 CD2 PHE A 298 3.355 -0.186 -0.065 1.00 15.00 C ATOM 288 CE1 PHE A 298 3.428 2.267 -1.323 1.00 15.00 C ATOM 289 CE2 PHE A 298 4.445 0.631 0.095 1.00 15.00 C ATOM 290 CZ PHE A 298 4.473 1.856 -0.541 1.00 15.00 C ATOM 0 H PHE A 298 -0.100 -1.494 0.995 1.00 15.00 H new ATOM 0 HA PHE A 298 0.025 1.059 -0.368 1.00 15.00 H new ATOM 0 HB2 PHE A 298 1.311 -1.622 -0.673 1.00 15.00 H new ATOM 0 HB3 PHE A 298 0.966 -0.758 -2.158 1.00 15.00 H new ATOM 0 HD1 PHE A 298 1.532 1.765 -2.112 1.00 15.00 H new ATOM 0 HD2 PHE A 298 3.317 -1.143 0.434 1.00 15.00 H new ATOM 0 HE1 PHE A 298 3.456 3.233 -1.805 1.00 15.00 H new ATOM 0 HE2 PHE A 298 5.274 0.319 0.713 1.00 15.00 H new ATOM 0 HZ PHE A 298 5.332 2.499 -0.420 1.00 15.00 H new ATOM 300 N VAL A 299 -1.388 0.656 -2.231 1.00 15.00 N ATOM 301 CA VAL A 299 -2.299 0.547 -3.326 1.00 15.00 C ATOM 302 C VAL A 299 -1.549 1.027 -4.568 1.00 15.00 C ATOM 303 O VAL A 299 -1.289 2.222 -4.770 1.00 15.00 O ATOM 304 CB VAL A 299 -3.639 1.301 -3.074 1.00 15.00 C ATOM 305 CG1 VAL A 299 -4.443 0.615 -1.976 1.00 15.00 C ATOM 306 CG2 VAL A 299 -3.416 2.747 -2.690 1.00 15.00 C ATOM 0 H VAL A 299 -0.851 1.523 -2.229 1.00 15.00 H new ATOM 0 HA VAL A 299 -2.616 -0.487 -3.463 1.00 15.00 H new ATOM 0 HB VAL A 299 -4.193 1.276 -4.012 1.00 15.00 H new ATOM 0 HG11 VAL A 299 -5.375 1.157 -1.815 1.00 15.00 H new ATOM 0 HG12 VAL A 299 -4.666 -0.410 -2.274 1.00 15.00 H new ATOM 0 HG13 VAL A 299 -3.864 0.607 -1.052 1.00 15.00 H new ATOM 0 HG21 VAL A 299 -4.378 3.232 -2.524 1.00 15.00 H new ATOM 0 HG22 VAL A 299 -2.824 2.794 -1.776 1.00 15.00 H new ATOM 0 HG23 VAL A 299 -2.885 3.259 -3.493 1.00 15.00 H new ATOM 316 N ASP A 300 -1.078 0.051 -5.323 1.00 15.00 N ATOM 317 CA ASP A 300 -0.236 0.308 -6.479 1.00 15.00 C ATOM 318 C ASP A 300 -1.081 0.483 -7.727 1.00 15.00 C ATOM 319 O ASP A 300 -1.989 -0.309 -7.981 1.00 15.00 O ATOM 320 CB ASP A 300 0.772 -0.834 -6.663 1.00 15.00 C ATOM 321 CG ASP A 300 1.137 -1.053 -8.119 1.00 15.00 C ATOM 322 OD1 ASP A 300 1.834 -0.196 -8.693 1.00 15.00 O ATOM 323 OD2 ASP A 300 0.706 -2.072 -8.698 1.00 15.00 O1- ATOM 0 H ASP A 300 -1.267 -0.937 -5.154 1.00 15.00 H new ATOM 0 HA ASP A 300 0.315 1.233 -6.310 1.00 15.00 H new ATOM 0 HB2 ASP A 300 1.675 -0.613 -6.094 1.00 15.00 H new ATOM 0 HB3 ASP A 300 0.354 -1.754 -6.254 1.00 15.00 H new ATOM 328 N HIS A 301 -0.751 1.510 -8.507 1.00 15.00 N ATOM 329 CA HIS A 301 -1.521 1.867 -9.696 1.00 15.00 C ATOM 330 C HIS A 301 -1.178 0.983 -10.896 1.00 15.00 C ATOM 331 O HIS A 301 -1.916 0.961 -11.882 1.00 15.00 O ATOM 332 CB HIS A 301 -1.280 3.330 -10.080 1.00 15.00 C ATOM 333 CG HIS A 301 -1.918 4.342 -9.173 1.00 15.00 C ATOM 334 ND1 HIS A 301 -3.280 4.445 -9.001 1.00 15.00 N ATOM 335 CD2 HIS A 301 -1.373 5.343 -8.436 1.00 15.00 C ATOM 336 CE1 HIS A 301 -3.546 5.476 -8.217 1.00 15.00 C ATOM 337 NE2 HIS A 301 -2.407 6.034 -7.854 1.00 15.00 N ATOM 0 H HIS A 301 0.052 2.115 -8.334 1.00 15.00 H new ATOM 0 HA HIS A 301 -2.569 1.714 -9.441 1.00 15.00 H new ATOM 0 HB2 HIS A 301 -0.205 3.511 -10.101 1.00 15.00 H new ATOM 0 HB3 HIS A 301 -1.650 3.489 -11.093 1.00 15.00 H new ATOM 0 HD1 HIS A 301 -3.975 3.823 -9.414 1.00 15.00 H new ATOM 0 HD2 HIS A 301 -0.320 5.557 -8.327 1.00 15.00 H new ATOM 0 HE1 HIS A 301 -4.531 5.806 -7.923 1.00 15.00 H new ATOM 346 N ASN A 302 -0.057 0.275 -10.831 1.00 15.00 N ATOM 347 CA ASN A 302 0.391 -0.529 -11.966 1.00 15.00 C ATOM 348 C ASN A 302 -0.433 -1.805 -12.084 1.00 15.00 C ATOM 349 O ASN A 302 -1.164 -2.000 -13.055 1.00 15.00 O ATOM 350 CB ASN A 302 1.880 -0.880 -11.846 1.00 15.00 C ATOM 351 CG ASN A 302 2.785 0.339 -11.886 1.00 15.00 C ATOM 352 OD1 ASN A 302 3.204 0.786 -12.957 1.00 15.00 O ATOM 353 ND2 ASN A 302 3.108 0.878 -10.721 1.00 15.00 N ATOM 0 H ASN A 302 0.554 0.239 -10.015 1.00 15.00 H new ATOM 0 HA ASN A 302 0.249 0.069 -12.866 1.00 15.00 H new ATOM 0 HB2 ASN A 302 2.046 -1.418 -10.913 1.00 15.00 H new ATOM 0 HB3 ASN A 302 2.154 -1.555 -12.656 1.00 15.00 H new ATOM 0 HD21 ASN A 302 3.723 1.691 -10.688 1.00 15.00 H new ATOM 0 HD22 ASN A 302 2.742 0.480 -9.856 1.00 15.00 H new ATOM 360 N ASN A 303 -0.328 -2.664 -11.083 1.00 15.00 N ATOM 361 CA ASN A 303 -1.056 -3.929 -11.076 1.00 15.00 C ATOM 362 C ASN A 303 -2.404 -3.770 -10.388 1.00 15.00 C ATOM 363 O ASN A 303 -3.265 -4.649 -10.479 1.00 15.00 O ATOM 364 CB ASN A 303 -0.255 -5.029 -10.375 1.00 15.00 C ATOM 365 CG ASN A 303 1.090 -5.309 -11.021 1.00 15.00 C ATOM 366 OD1 ASN A 303 1.195 -5.088 -12.322 1.00 15.00 O flip ATOM 367 ND2 ASN A 303 2.031 -5.730 -10.348 1.00 15.00 N flip ATOM 0 H ASN A 303 0.256 -2.510 -10.261 1.00 15.00 H new ATOM 0 HA ASN A 303 -1.212 -4.219 -12.115 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -0.097 -4.744 -9.335 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -0.843 -5.947 -10.368 1.00 15.00 H new ATOM 0 HD21 ASN A 303 1.912 -5.888 -9.347 1.00 15.00 H new ATOM 0 HD22 ASN A 303 2.930 -5.921 -10.791 1.00 15.00 H new ATOM 374 N ARG A 304 -2.556 -2.660 -9.667 1.00 15.00 N ATOM 375 CA ARG A 304 -3.728 -2.412 -8.830 1.00 15.00 C ATOM 376 C ARG A 304 -3.761 -3.432 -7.705 1.00 15.00 C ATOM 377 O ARG A 304 -4.637 -4.293 -7.638 1.00 15.00 O ATOM 378 CB ARG A 304 -5.031 -2.437 -9.642 1.00 15.00 C ATOM 379 CG ARG A 304 -5.030 -1.470 -10.819 1.00 15.00 C ATOM 380 CD ARG A 304 -6.299 -1.587 -11.647 1.00 15.00 C ATOM 381 NE ARG A 304 -6.373 -0.561 -12.689 1.00 15.00 N ATOM 382 CZ ARG A 304 -6.834 -0.777 -13.919 1.00 15.00 C ATOM 383 NH1 ARG A 304 -7.218 -1.993 -14.289 1.00 15.00 N1+ ATOM 384 NH2 ARG A 304 -6.906 0.228 -14.778 1.00 15.00 N ATOM 0 H ARG A 304 -1.869 -1.907 -9.647 1.00 15.00 H new ATOM 0 HA ARG A 304 -3.648 -1.410 -8.408 1.00 15.00 H new ATOM 0 HB2 ARG A 304 -5.200 -3.448 -10.012 1.00 15.00 H new ATOM 0 HB3 ARG A 304 -5.865 -2.195 -8.984 1.00 15.00 H new ATOM 0 HG2 ARG A 304 -4.929 -0.449 -10.451 1.00 15.00 H new ATOM 0 HG3 ARG A 304 -4.164 -1.668 -11.451 1.00 15.00 H new ATOM 0 HD2 ARG A 304 -6.341 -2.574 -12.107 1.00 15.00 H new ATOM 0 HD3 ARG A 304 -7.167 -1.502 -10.993 1.00 15.00 H new ATOM 0 HE ARG A 304 -6.051 0.379 -12.458 1.00 15.00 H new ATOM 0 HH11 ARG A 304 -7.161 -2.769 -13.629 1.00 15.00 H new ATOM 0 HH12 ARG A 304 -7.570 -2.151 -15.233 1.00 15.00 H new ATOM 0 HH21 ARG A 304 -6.609 1.162 -14.496 1.00 15.00 H new ATOM 0 HH22 ARG A 304 -7.258 0.068 -15.722 1.00 15.00 H new ATOM 398 N THR A 305 -2.753 -3.354 -6.850 1.00 15.00 N ATOM 399 CA THR A 305 -2.552 -4.357 -5.813 1.00 15.00 C ATOM 400 C THR A 305 -2.353 -3.718 -4.439 1.00 15.00 C ATOM 401 O THR A 305 -1.684 -2.690 -4.315 1.00 15.00 O ATOM 402 CB THR A 305 -1.337 -5.249 -6.157 1.00 15.00 C ATOM 403 OG1 THR A 305 -1.558 -5.907 -7.416 1.00 15.00 O ATOM 404 CG2 THR A 305 -1.085 -6.295 -5.079 1.00 15.00 C ATOM 0 H THR A 305 -2.060 -2.606 -6.853 1.00 15.00 H new ATOM 0 HA THR A 305 -3.452 -4.970 -5.772 1.00 15.00 H new ATOM 0 HB THR A 305 -0.459 -4.606 -6.219 1.00 15.00 H new ATOM 0 HG1 THR A 305 -0.785 -6.470 -7.631 1.00 15.00 H new ATOM 0 HG21 THR A 305 -0.224 -6.903 -5.356 1.00 15.00 H new ATOM 0 HG22 THR A 305 -0.888 -5.798 -4.129 1.00 15.00 H new ATOM 0 HG23 THR A 305 -1.963 -6.934 -4.980 1.00 15.00 H new ATOM 412 N THR A 306 -2.951 -4.328 -3.420 1.00 15.00 N ATOM 413 CA THR A 306 -2.785 -3.885 -2.045 1.00 15.00 C ATOM 414 C THR A 306 -1.753 -4.749 -1.313 1.00 15.00 C ATOM 415 O THR A 306 -1.938 -5.955 -1.156 1.00 15.00 O ATOM 416 CB THR A 306 -4.121 -3.937 -1.274 1.00 15.00 C ATOM 417 OG1 THR A 306 -5.108 -3.133 -1.936 1.00 15.00 O ATOM 418 CG2 THR A 306 -3.940 -3.451 0.156 1.00 15.00 C ATOM 0 H THR A 306 -3.561 -5.139 -3.526 1.00 15.00 H new ATOM 0 HA THR A 306 -2.435 -2.853 -2.081 1.00 15.00 H new ATOM 0 HB THR A 306 -4.458 -4.973 -1.250 1.00 15.00 H new ATOM 0 HG1 THR A 306 -5.735 -2.773 -1.274 1.00 15.00 H new ATOM 0 HG21 THR A 306 -4.895 -3.497 0.679 1.00 15.00 H new ATOM 0 HG22 THR A 306 -3.215 -4.085 0.667 1.00 15.00 H new ATOM 0 HG23 THR A 306 -3.580 -2.422 0.148 1.00 15.00 H new ATOM 426 N GLN A 307 -0.671 -4.122 -0.872 1.00 15.00 N ATOM 427 CA GLN A 307 0.388 -4.819 -0.146 1.00 15.00 C ATOM 428 C GLN A 307 0.495 -4.276 1.276 1.00 15.00 C ATOM 429 O GLN A 307 0.632 -3.075 1.466 1.00 15.00 O ATOM 430 CB GLN A 307 1.728 -4.639 -0.868 1.00 15.00 C ATOM 431 CG GLN A 307 1.771 -5.246 -2.262 1.00 15.00 C ATOM 432 CD GLN A 307 1.770 -6.762 -2.241 1.00 15.00 C ATOM 433 OE1 GLN A 307 0.716 -7.397 -2.239 1.00 15.00 O ATOM 434 NE2 GLN A 307 2.954 -7.356 -2.245 1.00 15.00 N ATOM 0 H GLN A 307 -0.501 -3.125 -1.004 1.00 15.00 H new ATOM 0 HA GLN A 307 0.143 -5.880 -0.106 1.00 15.00 H new ATOM 0 HB2 GLN A 307 1.949 -3.574 -0.941 1.00 15.00 H new ATOM 0 HB3 GLN A 307 2.517 -5.088 -0.264 1.00 15.00 H new ATOM 0 HG2 GLN A 307 0.912 -4.894 -2.834 1.00 15.00 H new ATOM 0 HG3 GLN A 307 2.664 -4.895 -2.779 1.00 15.00 H new ATOM 0 HE21 GLN A 307 3.806 -6.795 -2.247 1.00 15.00 H new ATOM 0 HE22 GLN A 307 3.014 -8.374 -2.247 1.00 15.00 H new ATOM 443 N PHE A 308 0.441 -5.157 2.271 1.00 15.00 N ATOM 444 CA PHE A 308 0.550 -4.725 3.667 1.00 15.00 C ATOM 445 C PHE A 308 2.009 -4.506 4.071 1.00 15.00 C ATOM 446 O PHE A 308 2.294 -4.001 5.155 1.00 15.00 O ATOM 447 CB PHE A 308 -0.110 -5.736 4.622 1.00 15.00 C ATOM 448 CG PHE A 308 -1.254 -5.153 5.413 1.00 15.00 C ATOM 449 CD1 PHE A 308 -1.359 -3.783 5.595 1.00 15.00 C ATOM 450 CD2 PHE A 308 -2.214 -5.972 5.988 1.00 15.00 C ATOM 451 CE1 PHE A 308 -2.395 -3.242 6.332 1.00 15.00 C ATOM 452 CE2 PHE A 308 -3.255 -5.436 6.721 1.00 15.00 C ATOM 453 CZ PHE A 308 -3.345 -4.069 6.895 1.00 15.00 C ATOM 0 H PHE A 308 0.324 -6.162 2.143 1.00 15.00 H new ATOM 0 HA PHE A 308 0.021 -3.776 3.747 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -0.473 -6.586 4.045 1.00 15.00 H new ATOM 0 HB3 PHE A 308 0.642 -6.117 5.312 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -0.621 -3.129 5.155 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -2.147 -7.042 5.861 1.00 15.00 H new ATOM 0 HE1 PHE A 308 -2.461 -2.173 6.467 1.00 15.00 H new ATOM 0 HE2 PHE A 308 -3.999 -6.086 7.158 1.00 15.00 H new ATOM 0 HZ PHE A 308 -4.157 -3.649 7.470 1.00 15.00 H new ATOM 463 N THR A 309 2.930 -4.910 3.208 1.00 15.00 N ATOM 464 CA THR A 309 4.347 -4.754 3.493 1.00 15.00 C ATOM 465 C THR A 309 4.947 -3.619 2.658 1.00 15.00 C ATOM 466 O THR A 309 4.533 -3.384 1.519 1.00 15.00 O ATOM 467 CB THR A 309 5.120 -6.070 3.240 1.00 15.00 C ATOM 468 OG1 THR A 309 6.495 -5.920 3.615 1.00 15.00 O ATOM 469 CG2 THR A 309 5.033 -6.492 1.778 1.00 15.00 C ATOM 0 H THR A 309 2.722 -5.346 2.310 1.00 15.00 H new ATOM 0 HA THR A 309 4.444 -4.501 4.549 1.00 15.00 H new ATOM 0 HB THR A 309 4.659 -6.846 3.851 1.00 15.00 H new ATOM 0 HG1 THR A 309 6.972 -6.760 3.451 1.00 15.00 H new ATOM 0 HG21 THR A 309 5.586 -7.420 1.634 1.00 15.00 H new ATOM 0 HG22 THR A 309 3.989 -6.646 1.505 1.00 15.00 H new ATOM 0 HG23 THR A 309 5.461 -5.712 1.148 1.00 15.00 H new ATOM 477 N ASP A 310 5.911 -2.915 3.244 1.00 15.00 N ATOM 478 CA ASP A 310 6.590 -1.807 2.579 1.00 15.00 C ATOM 479 C ASP A 310 8.050 -2.173 2.310 1.00 15.00 C ATOM 480 O ASP A 310 8.721 -2.751 3.168 1.00 15.00 O ATOM 481 CB ASP A 310 6.506 -0.547 3.446 1.00 15.00 C ATOM 482 CG ASP A 310 7.386 0.569 2.935 1.00 15.00 C ATOM 483 OD1 ASP A 310 6.953 1.315 2.036 1.00 15.00 O ATOM 484 OD2 ASP A 310 8.522 0.690 3.423 1.00 15.00 O1- ATOM 0 H ASP A 310 6.243 -3.096 4.191 1.00 15.00 H new ATOM 0 HA ASP A 310 6.100 -1.609 1.626 1.00 15.00 H new ATOM 0 HB2 ASP A 310 5.472 -0.203 3.481 1.00 15.00 H new ATOM 0 HB3 ASP A 310 6.795 -0.794 4.468 1.00 15.00 H new ATOM 489 N PRO A 311 8.567 -1.834 1.119 1.00 15.00 N ATOM 490 CA PRO A 311 9.927 -2.199 0.707 1.00 15.00 C ATOM 491 C PRO A 311 11.034 -1.542 1.541 1.00 15.00 C ATOM 492 O PRO A 311 12.186 -1.973 1.482 1.00 15.00 O ATOM 493 CB PRO A 311 10.007 -1.729 -0.748 1.00 15.00 C ATOM 494 CG PRO A 311 8.960 -0.678 -0.871 1.00 15.00 C ATOM 495 CD PRO A 311 7.861 -1.075 0.073 1.00 15.00 C ATOM 0 HA PRO A 311 10.093 -3.268 0.844 1.00 15.00 H new ATOM 0 HB2 PRO A 311 10.995 -1.331 -0.981 1.00 15.00 H new ATOM 0 HB3 PRO A 311 9.824 -2.552 -1.439 1.00 15.00 H new ATOM 0 HG2 PRO A 311 9.360 0.303 -0.614 1.00 15.00 H new ATOM 0 HG3 PRO A 311 8.591 -0.613 -1.894 1.00 15.00 H new ATOM 0 HD2 PRO A 311 7.350 -0.204 0.484 1.00 15.00 H new ATOM 0 HD3 PRO A 311 7.105 -1.683 -0.424 1.00 15.00 H new ATOM 628 N PRO B 207 -7.365 -8.835 7.044 1.00 15.00 N ATOM 629 CA PRO B 207 -7.652 -8.322 5.698 1.00 15.00 C ATOM 630 C PRO B 207 -7.289 -6.846 5.513 1.00 15.00 C ATOM 631 O PRO B 207 -7.801 -5.967 6.212 1.00 15.00 O ATOM 632 CB PRO B 207 -9.171 -8.516 5.546 1.00 15.00 C ATOM 633 CG PRO B 207 -9.669 -8.908 6.900 1.00 15.00 C ATOM 634 CD PRO B 207 -8.514 -9.557 7.599 1.00 15.00 C ATOM 0 HA PRO B 207 -7.057 -8.846 4.950 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.650 -7.599 5.204 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -9.395 -9.287 4.809 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -10.019 -8.036 7.453 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.512 -9.595 6.821 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -8.580 -9.446 8.681 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -8.462 -10.626 7.391 1.00 15.00 H new ATOM 642 N PRO B 208 -6.375 -6.582 4.559 1.00 15.00 N ATOM 643 CA PRO B 208 -5.948 -5.227 4.200 1.00 15.00 C ATOM 644 C PRO B 208 -7.036 -4.420 3.489 1.00 15.00 C ATOM 645 O PRO B 208 -8.015 -4.975 2.983 1.00 15.00 O ATOM 646 CB PRO B 208 -4.761 -5.469 3.257 1.00 15.00 C ATOM 647 CG PRO B 208 -4.975 -6.833 2.708 1.00 15.00 C ATOM 648 CD PRO B 208 -5.638 -7.611 3.803 1.00 15.00 C ATOM 0 HA PRO B 208 -5.705 -4.638 5.085 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.731 -4.724 2.462 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -3.813 -5.403 3.791 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.600 -6.802 1.816 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -4.029 -7.292 2.419 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -6.308 -8.373 3.405 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -4.908 -8.124 4.430 1.00 15.00 H new ATOM 656 N PRO B 209 -6.838 -3.094 3.415 1.00 15.00 N ATOM 657 CA PRO B 209 -7.786 -2.161 2.800 1.00 15.00 C ATOM 658 C PRO B 209 -7.812 -2.303 1.273 1.00 15.00 C ATOM 659 O PRO B 209 -6.764 -2.290 0.626 1.00 15.00 O ATOM 660 CB PRO B 209 -7.246 -0.772 3.204 1.00 15.00 C ATOM 661 CG PRO B 209 -6.140 -1.020 4.165 1.00 15.00 C ATOM 662 CD PRO B 209 -5.646 -2.401 3.905 1.00 15.00 C ATOM 0 HA PRO B 209 -8.810 -2.339 3.128 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.888 -0.225 2.332 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -8.030 -0.167 3.660 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.340 -0.292 4.031 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.491 -0.922 5.192 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.843 -2.410 3.168 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.253 -2.865 4.809 1.00 15.00 H new ATOM 670 N PRO B 210 -9.014 -2.437 0.681 1.00 15.00 N ATOM 671 CA PRO B 210 -9.181 -2.597 -0.775 1.00 15.00 C ATOM 672 C PRO B 210 -8.572 -1.439 -1.561 1.00 15.00 C ATOM 673 O PRO B 210 -8.548 -0.301 -1.081 1.00 15.00 O ATOM 674 CB PRO B 210 -10.704 -2.618 -0.965 1.00 15.00 C ATOM 675 CG PRO B 210 -11.276 -2.071 0.299 1.00 15.00 C ATOM 676 CD PRO B 210 -10.304 -2.433 1.382 1.00 15.00 C ATOM 0 HA PRO B 210 -8.678 -3.492 -1.141 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.000 -2.014 -1.822 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.062 -3.631 -1.150 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.404 -0.990 0.234 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.259 -2.497 0.499 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.319 -1.708 2.196 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.529 -3.406 1.818 1.00 15.00 H new ATOM 684 N TYR B 211 -8.103 -1.726 -2.775 1.00 15.00 N ATOM 685 CA TYR B 211 -7.470 -0.709 -3.610 1.00 15.00 C ATOM 686 C TYR B 211 -8.429 0.440 -3.909 1.00 15.00 C ATOM 687 O TYR B 211 -9.344 0.318 -4.722 1.00 15.00 O ATOM 688 CB TYR B 211 -6.928 -1.306 -4.928 1.00 15.00 C ATOM 689 CG TYR B 211 -6.393 -0.264 -5.912 1.00 15.00 C ATOM 690 CD1 TYR B 211 -5.843 0.934 -5.461 1.00 15.00 C ATOM 691 CD2 TYR B 211 -6.448 -0.468 -7.293 1.00 15.00 C ATOM 692 CE1 TYR B 211 -5.378 1.890 -6.343 1.00 15.00 C ATOM 693 CE2 TYR B 211 -5.973 0.496 -8.172 1.00 15.00 C ATOM 694 CZ TYR B 211 -5.450 1.659 -7.692 1.00 15.00 C ATOM 695 OH TYR B 211 -4.997 2.599 -8.580 1.00 15.00 O ATOM 0 H TYR B 211 -8.150 -2.652 -3.200 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.625 -0.317 -3.043 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -6.131 -2.012 -4.694 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.724 -1.872 -5.412 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -5.779 1.119 -4.399 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.865 -1.386 -7.681 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -4.960 2.814 -5.972 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -6.018 0.324 -9.237 1.00 15.00 H new ATOM 0 HH TYR B 211 -4.228 3.069 -8.195 1.00 15.00 H new ATOM 705 N SER B 212 -8.226 1.539 -3.202 1.00 15.00 N ATOM 706 CA SER B 212 -8.872 2.794 -3.519 1.00 15.00 C ATOM 707 C SER B 212 -7.910 3.595 -4.384 1.00 15.00 C ATOM 708 O SER B 212 -6.741 3.737 -4.024 1.00 15.00 O ATOM 709 CB SER B 212 -9.207 3.543 -2.230 1.00 15.00 C ATOM 710 OG SER B 212 -9.908 2.698 -1.329 1.00 15.00 O ATOM 0 H SER B 212 -7.607 1.582 -2.392 1.00 15.00 H new ATOM 0 HA SER B 212 -9.806 2.632 -4.056 1.00 15.00 H new ATOM 0 HB2 SER B 212 -8.290 3.901 -1.762 1.00 15.00 H new ATOM 0 HB3 SER B 212 -9.812 4.420 -2.459 1.00 15.00 H new ATOM 0 HG SER B 212 -10.113 3.193 -0.508 1.00 15.00 H new ATOM 716 N ARG B 213 -8.391 4.107 -5.510 1.00 15.00 N ATOM 717 CA ARG B 213 -7.502 4.671 -6.524 1.00 15.00 C ATOM 718 C ARG B 213 -6.690 5.829 -5.961 1.00 15.00 C ATOM 719 O ARG B 213 -5.465 5.830 -6.043 1.00 15.00 O ATOM 720 CB ARG B 213 -8.288 5.134 -7.752 1.00 15.00 C ATOM 721 CG ARG B 213 -9.208 4.071 -8.322 1.00 15.00 C ATOM 722 CD ARG B 213 -9.809 4.505 -9.648 1.00 15.00 C ATOM 723 NE ARG B 213 -11.020 3.746 -9.965 1.00 15.00 N ATOM 724 CZ ARG B 213 -11.784 3.967 -11.032 1.00 15.00 C ATOM 725 NH1 ARG B 213 -11.410 4.842 -11.958 1.00 15.00 N1+ ATOM 726 NH2 ARG B 213 -12.913 3.284 -11.186 1.00 15.00 N ATOM 0 H ARG B 213 -9.383 4.145 -5.745 1.00 15.00 H new ATOM 0 HA ARG B 213 -6.816 3.881 -6.828 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -8.880 6.009 -7.485 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -7.586 5.447 -8.525 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -8.652 3.144 -8.460 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.007 3.861 -7.611 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -10.045 5.569 -9.610 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -9.075 4.369 -10.443 1.00 15.00 H new ATOM 0 HE ARG B 213 -11.296 3.000 -9.327 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -10.532 5.350 -11.854 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -12.001 5.006 -12.773 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -13.191 2.594 -10.488 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -13.502 3.450 -12.002 1.00 15.00 H new ATOM 740 N TYR B 214 -7.370 6.817 -5.406 1.00 15.00 N ATOM 741 CA TYR B 214 -6.689 7.936 -4.775 1.00 15.00 C ATOM 742 C TYR B 214 -7.092 8.008 -3.312 1.00 15.00 C ATOM 743 O TYR B 214 -8.039 8.704 -2.941 1.00 15.00 O ATOM 744 CB TYR B 214 -6.984 9.256 -5.503 1.00 15.00 C ATOM 745 CG TYR B 214 -6.393 9.331 -6.899 1.00 15.00 C ATOM 746 CD1 TYR B 214 -6.690 8.364 -7.852 1.00 15.00 C ATOM 747 CD2 TYR B 214 -5.533 10.361 -7.261 1.00 15.00 C ATOM 748 CE1 TYR B 214 -6.152 8.413 -9.117 1.00 15.00 C ATOM 749 CE2 TYR B 214 -4.991 10.422 -8.533 1.00 15.00 C ATOM 750 CZ TYR B 214 -5.302 9.446 -9.457 1.00 15.00 C ATOM 751 OH TYR B 214 -4.765 9.501 -10.723 1.00 15.00 O ATOM 0 H TYR B 214 -8.388 6.868 -5.379 1.00 15.00 H new ATOM 0 HA TYR B 214 -5.613 7.777 -4.839 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.064 9.391 -5.568 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.595 10.083 -4.909 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.358 7.556 -7.594 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -5.284 11.125 -6.539 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -6.393 7.648 -9.840 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.327 11.231 -8.801 1.00 15.00 H new ATOM 0 HH TYR B 214 -4.189 10.290 -10.800 1.00 15.00 H new ATOM 761 N PRO B 215 -6.401 7.232 -2.469 1.00 15.00 N ATOM 762 CA PRO B 215 -6.756 7.073 -1.068 1.00 15.00 C ATOM 763 C PRO B 215 -6.247 8.215 -0.200 1.00 15.00 C ATOM 764 O PRO B 215 -5.112 8.671 -0.347 1.00 15.00 O ATOM 765 CB PRO B 215 -6.075 5.759 -0.688 1.00 15.00 C ATOM 766 CG PRO B 215 -4.886 5.664 -1.583 1.00 15.00 C ATOM 767 CD PRO B 215 -5.208 6.445 -2.830 1.00 15.00 C ATOM 0 HA PRO B 215 -7.835 7.073 -0.916 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -5.780 5.757 0.361 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.745 4.912 -0.832 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.001 6.069 -1.092 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.668 4.624 -1.825 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.379 7.090 -3.121 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.408 5.784 -3.673 1.00 15.00 H new