USER MOD reduce.3.24.130724 H: found=0, std=0, add=292, rem=0, adj=10 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 HD1:sc= 1.33 K(o=2.3,f=-16!) USER MOD Set 1.2: B 211 TYR OH : rot 21:sc= 0.928 USER MOD Set 2.1: A 305 THR OG1 : rot -119:sc= 0.542 USER MOD Set 2.2: A 307 GLN : amide:sc= -0.268 K(o=0.27,f=-1) USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 291 THR OG1 : rot -150:sc= -0.448 USER MOD Single : A 293 SER OG : rot 180:sc= 0.00263 USER MOD Single : A 297 TYR OH : rot 180:sc=-0.00917 USER MOD Single : A 302 ASN : amide:sc= 1.14 K(o=1.1,f=-0.22) USER MOD Single : A 303 ASN : amide:sc= -0.0737 K(o=-0.074,f=-1.3!) USER MOD Single : A 306 THR OG1 : rot -158:sc= 1.2 USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : B 212 SER OG : rot 180:sc= 0.0136 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N PRO A 283 9.155 5.149 -6.264 1.00 15.00 N ATOM 44 CA PRO A 283 8.389 5.529 -7.457 1.00 15.00 C ATOM 45 C PRO A 283 7.012 6.095 -7.109 1.00 15.00 C ATOM 46 O PRO A 283 6.232 5.457 -6.402 1.00 15.00 O ATOM 47 CB PRO A 283 8.244 4.214 -8.240 1.00 15.00 C ATOM 48 CG PRO A 283 8.614 3.134 -7.277 1.00 15.00 C ATOM 49 CD PRO A 283 9.593 3.748 -6.323 1.00 15.00 C ATOM 0 HA PRO A 283 8.890 6.317 -8.019 1.00 15.00 H new ATOM 0 HB2 PRO A 283 7.225 4.084 -8.603 1.00 15.00 H new ATOM 0 HB3 PRO A 283 8.897 4.203 -9.113 1.00 15.00 H new ATOM 0 HG2 PRO A 283 7.735 2.764 -6.749 1.00 15.00 H new ATOM 0 HG3 PRO A 283 9.056 2.283 -7.796 1.00 15.00 H new ATOM 0 HD2 PRO A 283 9.557 3.271 -5.343 1.00 15.00 H new ATOM 0 HD3 PRO A 283 10.618 3.659 -6.683 1.00 15.00 H new ATOM 57 N PRO A 284 6.693 7.301 -7.615 1.00 15.00 N ATOM 58 CA PRO A 284 5.422 7.982 -7.327 1.00 15.00 C ATOM 59 C PRO A 284 4.208 7.276 -7.933 1.00 15.00 C ATOM 60 O PRO A 284 3.078 7.746 -7.807 1.00 15.00 O ATOM 61 CB PRO A 284 5.602 9.367 -7.949 1.00 15.00 C ATOM 62 CG PRO A 284 6.642 9.186 -8.996 1.00 15.00 C ATOM 63 CD PRO A 284 7.557 8.102 -8.499 1.00 15.00 C ATOM 0 HA PRO A 284 5.220 8.002 -6.256 1.00 15.00 H new ATOM 0 HB2 PRO A 284 4.669 9.731 -8.378 1.00 15.00 H new ATOM 0 HB3 PRO A 284 5.916 10.097 -7.203 1.00 15.00 H new ATOM 0 HG2 PRO A 284 6.191 8.907 -9.948 1.00 15.00 H new ATOM 0 HG3 PRO A 284 7.191 10.113 -9.163 1.00 15.00 H new ATOM 0 HD2 PRO A 284 7.955 7.505 -9.320 1.00 15.00 H new ATOM 0 HD3 PRO A 284 8.411 8.513 -7.961 1.00 15.00 H new ATOM 71 N GLY A 285 4.451 6.160 -8.609 1.00 15.00 N ATOM 72 CA GLY A 285 3.363 5.310 -9.056 1.00 15.00 C ATOM 73 C GLY A 285 2.782 4.531 -7.898 1.00 15.00 C ATOM 74 O GLY A 285 1.695 3.956 -7.991 1.00 15.00 O ATOM 0 H GLY A 285 5.383 5.828 -8.856 1.00 15.00 H new ATOM 0 HA2 GLY A 285 2.586 5.919 -9.518 1.00 15.00 H new ATOM 0 HA3 GLY A 285 3.724 4.621 -9.820 1.00 15.00 H new ATOM 78 N TRP A 286 3.532 4.518 -6.807 1.00 15.00 N ATOM 79 CA TRP A 286 3.128 3.865 -5.577 1.00 15.00 C ATOM 80 C TRP A 286 2.377 4.841 -4.683 1.00 15.00 C ATOM 81 O TRP A 286 2.949 5.838 -4.238 1.00 15.00 O ATOM 82 CB TRP A 286 4.370 3.323 -4.846 1.00 15.00 C ATOM 83 CG TRP A 286 4.808 1.990 -5.361 1.00 15.00 C ATOM 84 CD1 TRP A 286 5.054 1.652 -6.662 1.00 15.00 C ATOM 85 CD2 TRP A 286 5.024 0.804 -4.588 1.00 15.00 C ATOM 86 NE1 TRP A 286 5.383 0.324 -6.750 1.00 15.00 N ATOM 87 CE2 TRP A 286 5.366 -0.222 -5.495 1.00 15.00 C ATOM 88 CE3 TRP A 286 4.955 0.499 -3.222 1.00 15.00 C ATOM 89 CZ2 TRP A 286 5.622 -1.527 -5.082 1.00 15.00 C ATOM 90 CZ3 TRP A 286 5.202 -0.798 -2.825 1.00 15.00 C ATOM 91 CH2 TRP A 286 5.524 -1.798 -3.748 1.00 15.00 C ATOM 0 H TRP A 286 4.447 4.966 -6.753 1.00 15.00 H new ATOM 0 HA TRP A 286 2.464 3.035 -5.817 1.00 15.00 H new ATOM 0 HB2 TRP A 286 5.188 4.035 -4.952 1.00 15.00 H new ATOM 0 HB3 TRP A 286 4.153 3.243 -3.781 1.00 15.00 H new ATOM 0 HD1 TRP A 286 4.997 2.332 -7.499 1.00 15.00 H new ATOM 0 HE1 TRP A 286 5.605 -0.176 -7.611 1.00 15.00 H new ATOM 0 HE3 TRP A 286 4.714 1.262 -2.497 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 5.888 -2.297 -5.791 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 5.145 -1.048 -1.776 1.00 15.00 H new ATOM 0 HH2 TRP A 286 5.699 -2.805 -3.398 1.00 15.00 H new ATOM 102 N GLU A 287 1.099 4.574 -4.411 1.00 15.00 N ATOM 103 CA GLU A 287 0.367 5.420 -3.484 1.00 15.00 C ATOM 104 C GLU A 287 0.531 4.866 -2.077 1.00 15.00 C ATOM 105 O GLU A 287 0.001 3.799 -1.742 1.00 15.00 O ATOM 106 CB GLU A 287 -1.117 5.518 -3.842 1.00 15.00 C ATOM 107 CG GLU A 287 -1.568 6.886 -4.335 1.00 15.00 C ATOM 108 CD GLU A 287 -0.870 7.347 -5.600 1.00 15.00 C ATOM 109 OE1 GLU A 287 -1.106 6.745 -6.666 1.00 15.00 O1- ATOM 110 OE2 GLU A 287 -0.104 8.331 -5.539 1.00 15.00 O ATOM 0 H GLU A 287 0.567 3.800 -4.809 1.00 15.00 H new ATOM 0 HA GLU A 287 0.777 6.428 -3.545 1.00 15.00 H new ATOM 0 HB2 GLU A 287 -1.340 4.779 -4.612 1.00 15.00 H new ATOM 0 HB3 GLU A 287 -1.706 5.252 -2.964 1.00 15.00 H new ATOM 0 HG2 GLU A 287 -2.643 6.860 -4.514 1.00 15.00 H new ATOM 0 HG3 GLU A 287 -1.394 7.620 -3.548 1.00 15.00 H new ATOM 117 N VAL A 288 1.309 5.575 -1.273 1.00 15.00 N ATOM 118 CA VAL A 288 1.624 5.136 0.073 1.00 15.00 C ATOM 119 C VAL A 288 0.637 5.714 1.088 1.00 15.00 C ATOM 120 O VAL A 288 0.405 6.925 1.140 1.00 15.00 O ATOM 121 CB VAL A 288 3.081 5.504 0.455 1.00 15.00 C ATOM 122 CG1 VAL A 288 3.327 7.004 0.346 1.00 15.00 C ATOM 123 CG2 VAL A 288 3.416 5.004 1.851 1.00 15.00 C ATOM 0 H VAL A 288 1.736 6.464 -1.535 1.00 15.00 H new ATOM 0 HA VAL A 288 1.533 4.050 0.094 1.00 15.00 H new ATOM 0 HB VAL A 288 3.742 5.009 -0.256 1.00 15.00 H new ATOM 0 HG11 VAL A 288 4.358 7.225 0.621 1.00 15.00 H new ATOM 0 HG12 VAL A 288 3.148 7.329 -0.679 1.00 15.00 H new ATOM 0 HG13 VAL A 288 2.651 7.533 1.018 1.00 15.00 H new ATOM 0 HG21 VAL A 288 4.443 5.274 2.097 1.00 15.00 H new ATOM 0 HG22 VAL A 288 2.738 5.459 2.573 1.00 15.00 H new ATOM 0 HG23 VAL A 288 3.307 3.920 1.885 1.00 15.00 H new ATOM 133 N ARG A 289 0.040 4.830 1.873 1.00 15.00 N ATOM 134 CA ARG A 289 -0.929 5.216 2.885 1.00 15.00 C ATOM 135 C ARG A 289 -0.761 4.351 4.131 1.00 15.00 C ATOM 136 O ARG A 289 -0.370 3.189 4.041 1.00 15.00 O ATOM 137 CB ARG A 289 -2.344 5.098 2.313 1.00 15.00 C ATOM 138 CG ARG A 289 -2.829 6.366 1.627 1.00 15.00 C ATOM 139 CD ARG A 289 -2.847 7.542 2.591 1.00 15.00 C ATOM 140 NE ARG A 289 -3.258 8.790 1.947 1.00 15.00 N ATOM 141 CZ ARG A 289 -3.257 9.973 2.555 1.00 15.00 C ATOM 142 NH1 ARG A 289 -2.927 10.058 3.837 1.00 15.00 N1+ ATOM 143 NH2 ARG A 289 -3.609 11.068 1.888 1.00 15.00 N ATOM 0 H ARG A 289 0.214 3.826 1.826 1.00 15.00 H new ATOM 0 HA ARG A 289 -0.761 6.253 3.174 1.00 15.00 H new ATOM 0 HB2 ARG A 289 -2.371 4.275 1.599 1.00 15.00 H new ATOM 0 HB3 ARG A 289 -3.033 4.844 3.119 1.00 15.00 H new ATOM 0 HG2 ARG A 289 -2.181 6.596 0.782 1.00 15.00 H new ATOM 0 HG3 ARG A 289 -3.830 6.206 1.227 1.00 15.00 H new ATOM 0 HD2 ARG A 289 -3.526 7.322 3.415 1.00 15.00 H new ATOM 0 HD3 ARG A 289 -1.854 7.669 3.022 1.00 15.00 H new ATOM 0 HE ARG A 289 -3.563 8.750 0.975 1.00 15.00 H new ATOM 0 HH11 ARG A 289 -2.674 9.217 4.355 1.00 15.00 H new ATOM 0 HH12 ARG A 289 -2.926 10.965 4.304 1.00 15.00 H new ATOM 0 HH21 ARG A 289 -3.881 11.002 0.907 1.00 15.00 H new ATOM 0 HH22 ARG A 289 -3.607 11.974 2.357 1.00 15.00 H new ATOM 157 N SER A 290 -1.060 4.920 5.291 1.00 15.00 N ATOM 158 CA SER A 290 -0.846 4.236 6.558 1.00 15.00 C ATOM 159 C SER A 290 -2.135 4.145 7.380 1.00 15.00 C ATOM 160 O SER A 290 -2.921 5.094 7.435 1.00 15.00 O ATOM 161 CB SER A 290 0.239 4.977 7.344 1.00 15.00 C ATOM 162 OG SER A 290 0.084 6.384 7.221 1.00 15.00 O ATOM 0 H SER A 290 -1.453 5.857 5.380 1.00 15.00 H new ATOM 0 HA SER A 290 -0.526 3.214 6.353 1.00 15.00 H new ATOM 0 HB2 SER A 290 0.190 4.692 8.395 1.00 15.00 H new ATOM 0 HB3 SER A 290 1.223 4.682 6.979 1.00 15.00 H new ATOM 0 HG SER A 290 0.787 6.836 7.733 1.00 15.00 H new ATOM 168 N THR A 291 -2.334 3.001 8.025 1.00 15.00 N ATOM 169 CA THR A 291 -3.477 2.805 8.907 1.00 15.00 C ATOM 170 C THR A 291 -3.097 3.131 10.347 1.00 15.00 C ATOM 171 O THR A 291 -1.949 2.912 10.756 1.00 15.00 O ATOM 172 CB THR A 291 -4.010 1.356 8.848 1.00 15.00 C ATOM 173 OG1 THR A 291 -2.916 0.427 8.843 1.00 15.00 O ATOM 174 CG2 THR A 291 -4.887 1.134 7.624 1.00 15.00 C ATOM 0 H THR A 291 -1.716 2.193 7.953 1.00 15.00 H new ATOM 0 HA THR A 291 -4.263 3.478 8.564 1.00 15.00 H new ATOM 0 HB THR A 291 -4.622 1.189 9.735 1.00 15.00 H new ATOM 0 HG1 THR A 291 -3.174 -0.380 8.350 1.00 15.00 H new ATOM 0 HG21 THR A 291 -5.245 0.104 7.614 1.00 15.00 H new ATOM 0 HG22 THR A 291 -5.739 1.814 7.658 1.00 15.00 H new ATOM 0 HG23 THR A 291 -4.307 1.325 6.721 1.00 15.00 H new ATOM 182 N VAL A 292 -4.069 3.617 11.116 1.00 15.00 N ATOM 183 CA VAL A 292 -3.846 4.003 12.510 1.00 15.00 C ATOM 184 C VAL A 292 -3.519 2.768 13.354 1.00 15.00 C ATOM 185 O VAL A 292 -3.016 2.872 14.474 1.00 15.00 O ATOM 186 CB VAL A 292 -5.079 4.725 13.095 1.00 15.00 C ATOM 187 CG1 VAL A 292 -4.755 5.358 14.441 1.00 15.00 C ATOM 188 CG2 VAL A 292 -5.601 5.772 12.121 1.00 15.00 C ATOM 0 H VAL A 292 -5.027 3.754 10.795 1.00 15.00 H new ATOM 0 HA VAL A 292 -3.002 4.693 12.536 1.00 15.00 H new ATOM 0 HB VAL A 292 -5.860 3.982 13.252 1.00 15.00 H new ATOM 0 HG11 VAL A 292 -5.641 5.860 14.830 1.00 15.00 H new ATOM 0 HG12 VAL A 292 -4.440 4.584 15.141 1.00 15.00 H new ATOM 0 HG13 VAL A 292 -3.952 6.084 14.318 1.00 15.00 H new ATOM 0 HG21 VAL A 292 -6.470 6.269 12.552 1.00 15.00 H new ATOM 0 HG22 VAL A 292 -4.821 6.508 11.926 1.00 15.00 H new ATOM 0 HG23 VAL A 292 -5.886 5.289 11.186 1.00 15.00 H new ATOM 198 N SER A 293 -3.799 1.599 12.787 1.00 15.00 N ATOM 199 CA SER A 293 -3.457 0.320 13.399 1.00 15.00 C ATOM 200 C SER A 293 -1.942 0.179 13.567 1.00 15.00 C ATOM 201 O SER A 293 -1.462 -0.707 14.275 1.00 15.00 O ATOM 202 CB SER A 293 -3.993 -0.823 12.535 1.00 15.00 C ATOM 203 OG SER A 293 -5.329 -0.566 12.134 1.00 15.00 O ATOM 0 H SER A 293 -4.271 1.512 11.887 1.00 15.00 H new ATOM 0 HA SER A 293 -3.914 0.277 14.387 1.00 15.00 H new ATOM 0 HB2 SER A 293 -3.362 -0.947 11.655 1.00 15.00 H new ATOM 0 HB3 SER A 293 -3.949 -1.758 13.093 1.00 15.00 H new ATOM 0 HG SER A 293 -5.653 -1.307 11.581 1.00 15.00 H new ATOM 209 N GLY A 294 -1.195 1.042 12.883 1.00 15.00 N ATOM 210 CA GLY A 294 0.250 0.963 12.906 1.00 15.00 C ATOM 211 C GLY A 294 0.771 0.078 11.800 1.00 15.00 C ATOM 212 O GLY A 294 1.738 -0.662 11.979 1.00 15.00 O ATOM 0 H GLY A 294 -1.571 1.798 12.311 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.672 1.963 12.803 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.579 0.575 13.870 1.00 15.00 H new ATOM 216 N ARG A 295 0.119 0.157 10.647 1.00 15.00 N ATOM 217 CA ARG A 295 0.509 -0.634 9.490 1.00 15.00 C ATOM 218 C ARG A 295 0.567 0.231 8.246 1.00 15.00 C ATOM 219 O ARG A 295 -0.311 1.066 8.015 1.00 15.00 O ATOM 220 CB ARG A 295 -0.471 -1.789 9.256 1.00 15.00 C ATOM 221 CG ARG A 295 -0.399 -2.874 10.310 1.00 15.00 C ATOM 222 CD ARG A 295 -1.298 -4.052 9.972 1.00 15.00 C ATOM 223 NE ARG A 295 -2.713 -3.723 10.134 1.00 15.00 N ATOM 224 CZ ARG A 295 -3.568 -4.475 10.822 1.00 15.00 C ATOM 225 NH1 ARG A 295 -3.165 -5.621 11.350 1.00 15.00 N1+ ATOM 226 NH2 ARG A 295 -4.830 -4.090 10.962 1.00 15.00 N ATOM 0 H ARG A 295 -0.685 0.764 10.489 1.00 15.00 H new ATOM 0 HA ARG A 295 1.498 -1.044 9.692 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -1.486 -1.392 9.225 1.00 15.00 H new ATOM 0 HB3 ARG A 295 -0.272 -2.230 8.279 1.00 15.00 H new ATOM 0 HG2 ARG A 295 0.631 -3.219 10.407 1.00 15.00 H new ATOM 0 HG3 ARG A 295 -0.689 -2.461 11.276 1.00 15.00 H new ATOM 0 HD2 ARG A 295 -1.114 -4.366 8.945 1.00 15.00 H new ATOM 0 HD3 ARG A 295 -1.046 -4.897 10.613 1.00 15.00 H new ATOM 0 HE ARG A 295 -3.064 -2.871 9.696 1.00 15.00 H new ATOM 0 HH11 ARG A 295 -2.199 -5.927 11.229 1.00 15.00 H new ATOM 0 HH12 ARG A 295 -3.820 -6.198 11.878 1.00 15.00 H new ATOM 0 HH21 ARG A 295 -5.146 -3.216 10.542 1.00 15.00 H new ATOM 0 HH22 ARG A 295 -5.484 -4.668 11.490 1.00 15.00 H new ATOM 240 N ILE A 296 1.583 0.006 7.436 1.00 15.00 N ATOM 241 CA ILE A 296 1.691 0.674 6.156 1.00 15.00 C ATOM 242 C ILE A 296 0.983 -0.190 5.120 1.00 15.00 C ATOM 243 O ILE A 296 0.944 -1.412 5.260 1.00 15.00 O ATOM 244 CB ILE A 296 3.175 0.894 5.760 1.00 15.00 C ATOM 245 CG1 ILE A 296 3.283 1.823 4.547 1.00 15.00 C ATOM 246 CG2 ILE A 296 3.871 -0.432 5.480 1.00 15.00 C ATOM 247 CD1 ILE A 296 2.838 3.239 4.836 1.00 15.00 C ATOM 0 H ILE A 296 2.347 -0.637 7.644 1.00 15.00 H new ATOM 0 HA ILE A 296 1.228 1.659 6.213 1.00 15.00 H new ATOM 0 HB ILE A 296 3.677 1.369 6.603 1.00 15.00 H new ATOM 0 HG12 ILE A 296 4.316 1.838 4.201 1.00 15.00 H new ATOM 0 HG13 ILE A 296 2.680 1.419 3.734 1.00 15.00 H new ATOM 0 HG21 ILE A 296 4.909 -0.247 5.205 1.00 15.00 H new ATOM 0 HG22 ILE A 296 3.838 -1.056 6.373 1.00 15.00 H new ATOM 0 HG23 ILE A 296 3.364 -0.943 4.661 1.00 15.00 H new ATOM 0 HD11 ILE A 296 2.940 3.844 3.935 1.00 15.00 H new ATOM 0 HD12 ILE A 296 1.795 3.235 5.154 1.00 15.00 H new ATOM 0 HD13 ILE A 296 3.457 3.661 5.628 1.00 15.00 H new ATOM 259 N TYR A 297 0.399 0.421 4.107 1.00 15.00 N ATOM 260 CA TYR A 297 -0.400 -0.340 3.171 1.00 15.00 C ATOM 261 C TYR A 297 -0.353 0.300 1.811 1.00 15.00 C ATOM 262 O TYR A 297 -0.519 1.513 1.660 1.00 15.00 O ATOM 263 CB TYR A 297 -1.851 -0.523 3.654 1.00 15.00 C ATOM 264 CG TYR A 297 -2.747 0.702 3.597 1.00 15.00 C ATOM 265 CD1 TYR A 297 -3.459 1.020 2.438 1.00 15.00 C ATOM 266 CD2 TYR A 297 -2.923 1.512 4.713 1.00 15.00 C ATOM 267 CE1 TYR A 297 -4.308 2.113 2.400 1.00 15.00 C ATOM 268 CE2 TYR A 297 -3.778 2.600 4.680 1.00 15.00 C ATOM 269 CZ TYR A 297 -4.466 2.897 3.523 1.00 15.00 C ATOM 270 OH TYR A 297 -5.322 3.980 3.490 1.00 15.00 O ATOM 0 H TYR A 297 0.461 1.421 3.915 1.00 15.00 H new ATOM 0 HA TYR A 297 0.030 -1.339 3.104 1.00 15.00 H new ATOM 0 HB2 TYR A 297 -2.312 -1.310 3.057 1.00 15.00 H new ATOM 0 HB3 TYR A 297 -1.825 -0.878 4.684 1.00 15.00 H new ATOM 0 HD1 TYR A 297 -3.345 0.404 1.558 1.00 15.00 H new ATOM 0 HD2 TYR A 297 -2.383 1.289 5.621 1.00 15.00 H new ATOM 0 HE1 TYR A 297 -4.845 2.351 1.494 1.00 15.00 H new ATOM 0 HE2 TYR A 297 -3.906 3.215 5.559 1.00 15.00 H new ATOM 0 HH TYR A 297 -5.319 4.426 4.363 1.00 15.00 H new ATOM 280 N PHE A 298 -0.104 -0.520 0.826 1.00 15.00 N ATOM 281 CA PHE A 298 0.035 -0.048 -0.511 1.00 15.00 C ATOM 282 C PHE A 298 -1.150 -0.285 -1.387 1.00 15.00 C ATOM 283 O PHE A 298 -1.851 -1.285 -1.280 1.00 15.00 O ATOM 284 CB PHE A 298 1.237 -0.680 -1.136 1.00 15.00 C ATOM 285 CG PHE A 298 2.420 0.151 -0.906 1.00 15.00 C ATOM 286 CD1 PHE A 298 2.443 1.424 -1.432 1.00 15.00 C ATOM 287 CD2 PHE A 298 3.496 -0.316 -0.183 1.00 15.00 C ATOM 288 CE1 PHE A 298 3.526 2.225 -1.253 1.00 15.00 C ATOM 289 CE2 PHE A 298 4.596 0.482 -0.012 1.00 15.00 C ATOM 290 CZ PHE A 298 4.601 1.752 -0.551 1.00 15.00 C ATOM 0 H PHE A 298 0.007 -1.528 0.934 1.00 15.00 H new ATOM 0 HA PHE A 298 0.139 1.034 -0.432 1.00 15.00 H new ATOM 0 HB2 PHE A 298 1.394 -1.674 -0.717 1.00 15.00 H new ATOM 0 HB3 PHE A 298 1.075 -0.807 -2.206 1.00 15.00 H new ATOM 0 HD1 PHE A 298 1.594 1.788 -1.991 1.00 15.00 H new ATOM 0 HD2 PHE A 298 3.472 -1.307 0.247 1.00 15.00 H new ATOM 0 HE1 PHE A 298 3.538 3.225 -1.661 1.00 15.00 H new ATOM 0 HE2 PHE A 298 5.451 0.120 0.540 1.00 15.00 H new ATOM 0 HZ PHE A 298 5.467 2.383 -0.417 1.00 15.00 H new ATOM 300 N VAL A 299 -1.306 0.647 -2.296 1.00 15.00 N ATOM 301 CA VAL A 299 -2.230 0.509 -3.386 1.00 15.00 C ATOM 302 C VAL A 299 -1.481 0.824 -4.681 1.00 15.00 C ATOM 303 O VAL A 299 -1.112 1.978 -4.968 1.00 15.00 O ATOM 304 CB VAL A 299 -3.507 1.381 -3.212 1.00 15.00 C ATOM 305 CG1 VAL A 299 -4.305 0.934 -1.995 1.00 15.00 C ATOM 306 CG2 VAL A 299 -3.171 2.849 -3.080 1.00 15.00 C ATOM 0 H VAL A 299 -0.790 1.527 -2.297 1.00 15.00 H new ATOM 0 HA VAL A 299 -2.602 -0.515 -3.415 1.00 15.00 H new ATOM 0 HB VAL A 299 -4.109 1.245 -4.111 1.00 15.00 H new ATOM 0 HG11 VAL A 299 -5.193 1.558 -1.893 1.00 15.00 H new ATOM 0 HG12 VAL A 299 -4.605 -0.107 -2.119 1.00 15.00 H new ATOM 0 HG13 VAL A 299 -3.689 1.031 -1.101 1.00 15.00 H new ATOM 0 HG21 VAL A 299 -4.090 3.423 -2.960 1.00 15.00 H new ATOM 0 HG22 VAL A 299 -2.533 2.999 -2.209 1.00 15.00 H new ATOM 0 HG23 VAL A 299 -2.648 3.184 -3.975 1.00 15.00 H new ATOM 316 N ASP A 300 -1.157 -0.239 -5.399 1.00 15.00 N ATOM 317 CA ASP A 300 -0.417 -0.134 -6.644 1.00 15.00 C ATOM 318 C ASP A 300 -1.372 -0.148 -7.825 1.00 15.00 C ATOM 319 O ASP A 300 -2.305 -0.950 -7.866 1.00 15.00 O ATOM 320 CB ASP A 300 0.606 -1.271 -6.765 1.00 15.00 C ATOM 321 CG ASP A 300 0.889 -1.634 -8.212 1.00 15.00 C ATOM 322 OD1 ASP A 300 1.504 -0.812 -8.923 1.00 15.00 O1- ATOM 323 OD2 ASP A 300 0.461 -2.722 -8.653 1.00 15.00 O ATOM 0 H ASP A 300 -1.399 -1.194 -5.136 1.00 15.00 H new ATOM 0 HA ASP A 300 0.125 0.812 -6.645 1.00 15.00 H new ATOM 0 HB2 ASP A 300 1.535 -0.975 -6.278 1.00 15.00 H new ATOM 0 HB3 ASP A 300 0.235 -2.150 -6.237 1.00 15.00 H new ATOM 328 N HIS A 301 -1.111 0.726 -8.788 1.00 15.00 N ATOM 329 CA HIS A 301 -1.999 0.905 -9.929 1.00 15.00 C ATOM 330 C HIS A 301 -1.699 -0.091 -11.044 1.00 15.00 C ATOM 331 O HIS A 301 -2.523 -0.294 -11.934 1.00 15.00 O ATOM 332 CB HIS A 301 -1.880 2.323 -10.490 1.00 15.00 C ATOM 333 CG HIS A 301 -2.276 3.408 -9.538 1.00 15.00 C ATOM 334 ND1 HIS A 301 -3.577 3.636 -9.157 1.00 15.00 N ATOM 335 CD2 HIS A 301 -1.536 4.361 -8.926 1.00 15.00 C ATOM 336 CE1 HIS A 301 -3.624 4.692 -8.365 1.00 15.00 C ATOM 337 NE2 HIS A 301 -2.397 5.146 -8.206 1.00 15.00 N ATOM 0 H HIS A 301 -0.286 1.326 -8.801 1.00 15.00 H new ATOM 0 HA HIS A 301 -3.013 0.732 -9.568 1.00 15.00 H new ATOM 0 HB2 HIS A 301 -0.849 2.490 -10.802 1.00 15.00 H new ATOM 0 HB3 HIS A 301 -2.499 2.399 -11.384 1.00 15.00 H new ATOM 0 HD2 HIS A 301 -0.465 4.481 -8.993 1.00 15.00 H new ATOM 0 HE1 HIS A 301 -4.516 5.112 -7.923 1.00 15.00 H new ATOM 0 HE2 HIS A 301 -2.132 5.951 -7.639 1.00 15.00 H new ATOM 346 N ASN A 302 -0.518 -0.697 -11.008 1.00 15.00 N ATOM 347 CA ASN A 302 -0.100 -1.591 -12.084 1.00 15.00 C ATOM 348 C ASN A 302 -0.864 -2.902 -12.013 1.00 15.00 C ATOM 349 O ASN A 302 -1.465 -3.338 -12.994 1.00 15.00 O ATOM 350 CB ASN A 302 1.409 -1.859 -12.032 1.00 15.00 C ATOM 351 CG ASN A 302 2.240 -0.607 -12.254 1.00 15.00 C ATOM 352 OD1 ASN A 302 2.567 -0.254 -13.389 1.00 15.00 O ATOM 353 ND2 ASN A 302 2.599 0.067 -11.173 1.00 15.00 N ATOM 0 H ASN A 302 0.161 -0.588 -10.255 1.00 15.00 H new ATOM 0 HA ASN A 302 -0.325 -1.099 -13.030 1.00 15.00 H new ATOM 0 HB2 ASN A 302 1.663 -2.291 -11.064 1.00 15.00 H new ATOM 0 HB3 ASN A 302 1.668 -2.600 -12.789 1.00 15.00 H new ATOM 0 HD21 ASN A 302 3.166 0.910 -11.263 1.00 15.00 H new ATOM 0 HD22 ASN A 302 2.309 -0.257 -10.250 1.00 15.00 H new ATOM 360 N ASN A 303 -0.824 -3.536 -10.852 1.00 15.00 N ATOM 361 CA ASN A 303 -1.562 -4.771 -10.630 1.00 15.00 C ATOM 362 C ASN A 303 -2.903 -4.509 -9.956 1.00 15.00 C ATOM 363 O ASN A 303 -3.764 -5.392 -9.919 1.00 15.00 O ATOM 364 CB ASN A 303 -0.736 -5.759 -9.803 1.00 15.00 C ATOM 365 CG ASN A 303 0.299 -6.491 -10.632 1.00 15.00 C ATOM 366 OD1 ASN A 303 0.096 -6.745 -11.820 1.00 15.00 O ATOM 367 ND2 ASN A 303 1.417 -6.835 -10.013 1.00 15.00 N ATOM 0 H ASN A 303 -0.287 -3.215 -10.046 1.00 15.00 H new ATOM 0 HA ASN A 303 -1.758 -5.212 -11.607 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -0.237 -5.223 -8.996 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -1.403 -6.485 -9.338 1.00 15.00 H new ATOM 0 HD21 ASN A 303 2.150 -7.330 -10.521 1.00 15.00 H new ATOM 0 HD22 ASN A 303 1.546 -6.606 -9.028 1.00 15.00 H new ATOM 374 N ARG A 304 -3.066 -3.298 -9.407 1.00 15.00 N ATOM 375 CA ARG A 304 -4.288 -2.914 -8.698 1.00 15.00 C ATOM 376 C ARG A 304 -4.421 -3.751 -7.432 1.00 15.00 C ATOM 377 O ARG A 304 -5.490 -4.268 -7.113 1.00 15.00 O ATOM 378 CB ARG A 304 -5.521 -3.089 -9.597 1.00 15.00 C ATOM 379 CG ARG A 304 -5.388 -2.411 -10.955 1.00 15.00 C ATOM 380 CD ARG A 304 -6.199 -3.123 -12.027 1.00 15.00 C ATOM 381 NE ARG A 304 -7.609 -3.263 -11.662 1.00 15.00 N ATOM 382 CZ ARG A 304 -8.616 -3.072 -12.512 1.00 15.00 C ATOM 383 NH1 ARG A 304 -8.370 -2.739 -13.773 1.00 15.00 N1+ ATOM 384 NH2 ARG A 304 -9.872 -3.230 -12.107 1.00 15.00 N ATOM 0 H ARG A 304 -2.359 -2.564 -9.443 1.00 15.00 H new ATOM 0 HA ARG A 304 -4.225 -1.860 -8.426 1.00 15.00 H new ATOM 0 HB2 ARG A 304 -5.702 -4.153 -9.748 1.00 15.00 H new ATOM 0 HB3 ARG A 304 -6.394 -2.687 -9.084 1.00 15.00 H new ATOM 0 HG2 ARG A 304 -5.719 -1.375 -10.878 1.00 15.00 H new ATOM 0 HG3 ARG A 304 -4.338 -2.389 -11.249 1.00 15.00 H new ATOM 0 HD2 ARG A 304 -6.123 -2.570 -12.963 1.00 15.00 H new ATOM 0 HD3 ARG A 304 -5.773 -4.111 -12.204 1.00 15.00 H new ATOM 0 HE ARG A 304 -7.833 -3.522 -10.701 1.00 15.00 H new ATOM 0 HH11 ARG A 304 -7.408 -2.629 -14.093 1.00 15.00 H new ATOM 0 HH12 ARG A 304 -9.143 -2.593 -14.422 1.00 15.00 H new ATOM 0 HH21 ARG A 304 -10.067 -3.498 -11.142 1.00 15.00 H new ATOM 0 HH22 ARG A 304 -10.641 -3.083 -12.761 1.00 15.00 H new ATOM 398 N THR A 305 -3.323 -3.839 -6.695 1.00 15.00 N ATOM 399 CA THR A 305 -3.234 -4.745 -5.557 1.00 15.00 C ATOM 400 C THR A 305 -2.817 -4.009 -4.287 1.00 15.00 C ATOM 401 O THR A 305 -2.111 -2.996 -4.342 1.00 15.00 O ATOM 402 CB THR A 305 -2.235 -5.889 -5.843 1.00 15.00 C ATOM 403 OG1 THR A 305 -2.154 -6.788 -4.726 1.00 15.00 O ATOM 404 CG2 THR A 305 -0.855 -5.329 -6.150 1.00 15.00 C ATOM 0 H THR A 305 -2.479 -3.293 -6.865 1.00 15.00 H new ATOM 0 HA THR A 305 -4.227 -5.166 -5.402 1.00 15.00 H new ATOM 0 HB THR A 305 -2.597 -6.440 -6.711 1.00 15.00 H new ATOM 0 HG1 THR A 305 -1.239 -6.793 -4.376 1.00 15.00 H new ATOM 0 HG21 THR A 305 -0.165 -6.149 -6.349 1.00 15.00 H new ATOM 0 HG22 THR A 305 -0.911 -4.682 -7.026 1.00 15.00 H new ATOM 0 HG23 THR A 305 -0.498 -4.753 -5.296 1.00 15.00 H new ATOM 412 N THR A 306 -3.275 -4.515 -3.149 1.00 15.00 N ATOM 413 CA THR A 306 -2.906 -3.964 -1.857 1.00 15.00 C ATOM 414 C THR A 306 -1.853 -4.838 -1.171 1.00 15.00 C ATOM 415 O THR A 306 -2.055 -6.040 -0.981 1.00 15.00 O ATOM 416 CB THR A 306 -4.135 -3.837 -0.938 1.00 15.00 C ATOM 417 OG1 THR A 306 -5.152 -3.055 -1.581 1.00 15.00 O ATOM 418 CG2 THR A 306 -3.758 -3.196 0.389 1.00 15.00 C ATOM 0 H THR A 306 -3.908 -5.313 -3.098 1.00 15.00 H new ATOM 0 HA THR A 306 -2.490 -2.972 -2.034 1.00 15.00 H new ATOM 0 HB THR A 306 -4.517 -4.839 -0.742 1.00 15.00 H new ATOM 0 HG1 THR A 306 -5.759 -2.689 -0.905 1.00 15.00 H new ATOM 0 HG21 THR A 306 -4.643 -3.118 1.020 1.00 15.00 H new ATOM 0 HG22 THR A 306 -3.009 -3.809 0.890 1.00 15.00 H new ATOM 0 HG23 THR A 306 -3.351 -2.201 0.210 1.00 15.00 H new ATOM 426 N GLN A 307 -0.731 -4.227 -0.806 1.00 15.00 N ATOM 427 CA GLN A 307 0.345 -4.931 -0.114 1.00 15.00 C ATOM 428 C GLN A 307 0.517 -4.361 1.292 1.00 15.00 C ATOM 429 O GLN A 307 0.597 -3.148 1.460 1.00 15.00 O ATOM 430 CB GLN A 307 1.668 -4.782 -0.877 1.00 15.00 C ATOM 431 CG GLN A 307 1.590 -5.139 -2.355 1.00 15.00 C ATOM 432 CD GLN A 307 1.267 -6.601 -2.612 1.00 15.00 C ATOM 433 OE1 GLN A 307 0.586 -6.936 -3.585 1.00 15.00 O ATOM 434 NE2 GLN A 307 1.790 -7.485 -1.775 1.00 15.00 N ATOM 0 H GLN A 307 -0.542 -3.240 -0.979 1.00 15.00 H new ATOM 0 HA GLN A 307 0.081 -5.987 -0.058 1.00 15.00 H new ATOM 0 HB2 GLN A 307 2.013 -3.752 -0.783 1.00 15.00 H new ATOM 0 HB3 GLN A 307 2.419 -5.414 -0.403 1.00 15.00 H new ATOM 0 HG2 GLN A 307 0.830 -4.519 -2.830 1.00 15.00 H new ATOM 0 HG3 GLN A 307 2.541 -4.897 -2.829 1.00 15.00 H new ATOM 0 HE21 GLN A 307 2.348 -7.168 -0.982 1.00 15.00 H new ATOM 0 HE22 GLN A 307 1.635 -8.482 -1.924 1.00 15.00 H new ATOM 443 N PHE A 308 0.578 -5.226 2.297 1.00 15.00 N ATOM 444 CA PHE A 308 0.833 -4.776 3.666 1.00 15.00 C ATOM 445 C PHE A 308 2.329 -4.609 3.919 1.00 15.00 C ATOM 446 O PHE A 308 2.739 -4.091 4.956 1.00 15.00 O ATOM 447 CB PHE A 308 0.242 -5.744 4.699 1.00 15.00 C ATOM 448 CG PHE A 308 -0.962 -5.197 5.418 1.00 15.00 C ATOM 449 CD1 PHE A 308 -1.092 -3.838 5.646 1.00 15.00 C ATOM 450 CD2 PHE A 308 -1.950 -6.044 5.886 1.00 15.00 C ATOM 451 CE1 PHE A 308 -2.185 -3.333 6.326 1.00 15.00 C ATOM 452 CE2 PHE A 308 -3.048 -5.548 6.561 1.00 15.00 C ATOM 453 CZ PHE A 308 -3.166 -4.191 6.782 1.00 15.00 C ATOM 0 H PHE A 308 0.456 -6.234 2.195 1.00 15.00 H new ATOM 0 HA PHE A 308 0.343 -3.809 3.778 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -0.035 -6.672 4.198 1.00 15.00 H new ATOM 0 HB3 PHE A 308 1.010 -5.994 5.431 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -0.329 -3.163 5.288 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -1.862 -7.108 5.721 1.00 15.00 H new ATOM 0 HE1 PHE A 308 -2.271 -2.271 6.500 1.00 15.00 H new ATOM 0 HE2 PHE A 308 -3.814 -6.222 6.916 1.00 15.00 H new ATOM 0 HZ PHE A 308 -4.023 -3.801 7.310 1.00 15.00 H new ATOM 463 N THR A 309 3.143 -5.071 2.983 1.00 15.00 N ATOM 464 CA THR A 309 4.583 -4.994 3.134 1.00 15.00 C ATOM 465 C THR A 309 5.149 -3.810 2.347 1.00 15.00 C ATOM 466 O THR A 309 4.674 -3.486 1.256 1.00 15.00 O ATOM 467 CB THR A 309 5.269 -6.311 2.694 1.00 15.00 C ATOM 468 OG1 THR A 309 6.672 -6.263 2.981 1.00 15.00 O ATOM 469 CG2 THR A 309 5.063 -6.578 1.209 1.00 15.00 C ATOM 0 H THR A 309 2.830 -5.502 2.113 1.00 15.00 H new ATOM 0 HA THR A 309 4.794 -4.842 4.192 1.00 15.00 H new ATOM 0 HB THR A 309 4.809 -7.123 3.257 1.00 15.00 H new ATOM 0 HG1 THR A 309 7.092 -7.102 2.699 1.00 15.00 H new ATOM 0 HG21 THR A 309 5.558 -7.510 0.935 1.00 15.00 H new ATOM 0 HG22 THR A 309 3.997 -6.658 0.998 1.00 15.00 H new ATOM 0 HG23 THR A 309 5.487 -5.758 0.630 1.00 15.00 H new ATOM 477 N ASP A 310 6.146 -3.161 2.925 1.00 15.00 N ATOM 478 CA ASP A 310 6.804 -2.023 2.296 1.00 15.00 C ATOM 479 C ASP A 310 8.216 -2.424 1.889 1.00 15.00 C ATOM 480 O ASP A 310 8.906 -3.123 2.635 1.00 15.00 O ATOM 481 CB ASP A 310 6.837 -0.840 3.274 1.00 15.00 C ATOM 482 CG ASP A 310 7.467 0.410 2.689 1.00 15.00 C ATOM 483 OD1 ASP A 310 8.703 0.437 2.522 1.00 15.00 O ATOM 484 OD2 ASP A 310 6.736 1.384 2.426 1.00 15.00 O1- ATOM 0 H ASP A 310 6.523 -3.406 3.841 1.00 15.00 H new ATOM 0 HA ASP A 310 6.252 -1.719 1.406 1.00 15.00 H new ATOM 0 HB2 ASP A 310 5.819 -0.611 3.590 1.00 15.00 H new ATOM 0 HB3 ASP A 310 7.389 -1.132 4.167 1.00 15.00 H new ATOM 489 N PRO A 311 8.675 -1.979 0.708 1.00 15.00 N ATOM 490 CA PRO A 311 9.990 -2.346 0.166 1.00 15.00 C ATOM 491 C PRO A 311 11.170 -1.937 1.057 1.00 15.00 C ATOM 492 O PRO A 311 12.293 -2.402 0.854 1.00 15.00 O ATOM 493 CB PRO A 311 10.046 -1.612 -1.178 1.00 15.00 C ATOM 494 CG PRO A 311 9.035 -0.526 -1.066 1.00 15.00 C ATOM 495 CD PRO A 311 7.943 -1.083 -0.203 1.00 15.00 C ATOM 0 HA PRO A 311 10.087 -3.429 0.087 1.00 15.00 H new ATOM 0 HB2 PRO A 311 11.041 -1.207 -1.366 1.00 15.00 H new ATOM 0 HB3 PRO A 311 9.814 -2.284 -2.005 1.00 15.00 H new ATOM 0 HG2 PRO A 311 9.469 0.370 -0.621 1.00 15.00 H new ATOM 0 HG3 PRO A 311 8.654 -0.242 -2.047 1.00 15.00 H new ATOM 0 HD2 PRO A 311 7.415 -0.298 0.339 1.00 15.00 H new ATOM 0 HD3 PRO A 311 7.199 -1.622 -0.789 1.00 15.00 H new ATOM 628 N PRO B 207 -6.987 -8.909 6.451 1.00 15.00 N ATOM 629 CA PRO B 207 -7.154 -8.475 5.060 1.00 15.00 C ATOM 630 C PRO B 207 -6.882 -6.980 4.868 1.00 15.00 C ATOM 631 O PRO B 207 -7.544 -6.132 5.473 1.00 15.00 O ATOM 632 CB PRO B 207 -8.621 -8.804 4.739 1.00 15.00 C ATOM 633 CG PRO B 207 -9.248 -9.184 6.041 1.00 15.00 C ATOM 634 CD PRO B 207 -8.137 -9.701 6.905 1.00 15.00 C ATOM 0 HA PRO B 207 -6.443 -8.975 4.402 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.127 -7.945 4.298 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -8.690 -9.619 4.019 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -9.734 -8.325 6.504 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.015 -9.945 5.896 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -8.342 -9.548 7.965 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -7.976 -10.770 6.762 1.00 15.00 H new ATOM 642 N PRO B 208 -5.886 -6.650 4.029 1.00 15.00 N ATOM 643 CA PRO B 208 -5.487 -5.264 3.757 1.00 15.00 C ATOM 644 C PRO B 208 -6.596 -4.440 3.093 1.00 15.00 C ATOM 645 O PRO B 208 -7.498 -4.987 2.450 1.00 15.00 O ATOM 646 CB PRO B 208 -4.282 -5.414 2.817 1.00 15.00 C ATOM 647 CG PRO B 208 -4.391 -6.782 2.245 1.00 15.00 C ATOM 648 CD PRO B 208 -5.048 -7.618 3.303 1.00 15.00 C ATOM 0 HA PRO B 208 -5.262 -4.724 4.677 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.300 -4.658 2.032 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -3.344 -5.289 3.358 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -4.981 -6.776 1.329 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.408 -7.178 1.989 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.645 -8.420 2.869 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -4.314 -8.086 3.959 1.00 15.00 H new ATOM 656 N PRO B 209 -6.499 -3.102 3.200 1.00 15.00 N ATOM 657 CA PRO B 209 -7.526 -2.170 2.719 1.00 15.00 C ATOM 658 C PRO B 209 -7.655 -2.209 1.193 1.00 15.00 C ATOM 659 O PRO B 209 -6.655 -2.124 0.480 1.00 15.00 O ATOM 660 CB PRO B 209 -7.019 -0.790 3.189 1.00 15.00 C ATOM 661 CG PRO B 209 -5.911 -1.065 4.137 1.00 15.00 C ATOM 662 CD PRO B 209 -5.347 -2.394 3.760 1.00 15.00 C ATOM 0 HA PRO B 209 -8.517 -2.415 3.101 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.672 -0.193 2.345 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.816 -0.225 3.673 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.148 -0.289 4.077 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.274 -1.076 5.165 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.542 -2.297 3.032 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -4.935 -2.916 4.624 1.00 15.00 H new ATOM 670 N PRO B 210 -8.892 -2.340 0.682 1.00 15.00 N ATOM 671 CA PRO B 210 -9.168 -2.469 -0.760 1.00 15.00 C ATOM 672 C PRO B 210 -8.520 -1.367 -1.595 1.00 15.00 C ATOM 673 O PRO B 210 -8.539 -0.194 -1.213 1.00 15.00 O ATOM 674 CB PRO B 210 -10.699 -2.370 -0.848 1.00 15.00 C ATOM 675 CG PRO B 210 -11.146 -1.870 0.486 1.00 15.00 C ATOM 676 CD PRO B 210 -10.129 -2.364 1.469 1.00 15.00 C ATOM 0 HA PRO B 210 -8.759 -3.398 -1.158 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.003 -1.690 -1.644 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.142 -3.340 -1.072 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.203 -0.782 0.496 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.140 -2.244 0.731 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.065 -1.720 2.346 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.363 -3.367 1.827 1.00 15.00 H new ATOM 684 N TYR B 211 -7.959 -1.754 -2.740 1.00 15.00 N ATOM 685 CA TYR B 211 -7.322 -0.802 -3.641 1.00 15.00 C ATOM 686 C TYR B 211 -8.314 0.255 -4.117 1.00 15.00 C ATOM 687 O TYR B 211 -9.246 -0.027 -4.871 1.00 15.00 O ATOM 688 CB TYR B 211 -6.675 -1.513 -4.846 1.00 15.00 C ATOM 689 CG TYR B 211 -6.326 -0.577 -5.995 1.00 15.00 C ATOM 690 CD1 TYR B 211 -5.686 0.637 -5.766 1.00 15.00 C ATOM 691 CD2 TYR B 211 -6.668 -0.891 -7.309 1.00 15.00 C ATOM 692 CE1 TYR B 211 -5.410 1.509 -6.803 1.00 15.00 C ATOM 693 CE2 TYR B 211 -6.378 -0.022 -8.345 1.00 15.00 C ATOM 694 CZ TYR B 211 -5.762 1.166 -8.088 1.00 15.00 C ATOM 695 OH TYR B 211 -5.518 2.017 -9.135 1.00 15.00 O ATOM 0 H TYR B 211 -7.934 -2.721 -3.063 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.533 -0.303 -3.079 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.769 -2.019 -4.514 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.355 -2.283 -5.210 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -5.399 0.903 -4.759 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -7.166 -1.825 -7.521 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -4.922 2.452 -6.606 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -6.640 -0.285 -9.359 1.00 15.00 H new ATOM 0 HH TYR B 211 -4.815 2.652 -8.884 1.00 15.00 H new ATOM 705 N SER B 212 -8.099 1.465 -3.642 1.00 15.00 N ATOM 706 CA SER B 212 -8.842 2.628 -4.079 1.00 15.00 C ATOM 707 C SER B 212 -7.939 3.470 -4.969 1.00 15.00 C ATOM 708 O SER B 212 -6.724 3.473 -4.776 1.00 15.00 O ATOM 709 CB SER B 212 -9.319 3.425 -2.860 1.00 15.00 C ATOM 710 OG SER B 212 -8.296 3.525 -1.882 1.00 15.00 O ATOM 0 H SER B 212 -7.395 1.670 -2.933 1.00 15.00 H new ATOM 0 HA SER B 212 -9.723 2.329 -4.647 1.00 15.00 H new ATOM 0 HB2 SER B 212 -9.627 4.423 -3.172 1.00 15.00 H new ATOM 0 HB3 SER B 212 -10.195 2.942 -2.426 1.00 15.00 H new ATOM 0 HG SER B 212 -8.625 4.039 -1.116 1.00 15.00 H new ATOM 716 N ARG B 213 -8.518 4.192 -5.923 1.00 15.00 N ATOM 717 CA ARG B 213 -7.721 4.935 -6.895 1.00 15.00 C ATOM 718 C ARG B 213 -6.826 5.942 -6.194 1.00 15.00 C ATOM 719 O ARG B 213 -5.604 5.807 -6.215 1.00 15.00 O ATOM 720 CB ARG B 213 -8.627 5.671 -7.883 1.00 15.00 C ATOM 721 CG ARG B 213 -9.085 4.825 -9.059 1.00 15.00 C ATOM 722 CD ARG B 213 -8.082 4.893 -10.200 1.00 15.00 C ATOM 723 NE ARG B 213 -7.904 6.265 -10.678 1.00 15.00 N ATOM 724 CZ ARG B 213 -7.127 6.608 -11.707 1.00 15.00 C ATOM 725 NH1 ARG B 213 -6.444 5.685 -12.373 1.00 15.00 N1+ ATOM 726 NH2 ARG B 213 -7.027 7.884 -12.063 1.00 15.00 N ATOM 0 H ARG B 213 -9.527 4.279 -6.044 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.103 4.219 -7.437 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -9.504 6.037 -7.350 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -8.097 6.544 -8.263 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -9.210 3.790 -8.741 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.059 5.172 -9.404 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -7.123 4.496 -9.867 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.421 4.262 -11.021 1.00 15.00 H new ATOM 0 HE ARG B 213 -8.407 7.008 -10.193 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -6.511 4.705 -12.099 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -5.852 5.956 -13.158 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -7.543 8.599 -11.550 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -6.434 8.149 -12.849 1.00 15.00 H new ATOM 740 N TYR B 214 -7.417 6.950 -5.581 1.00 15.00 N ATOM 741 CA TYR B 214 -6.632 7.909 -4.830 1.00 15.00 C ATOM 742 C TYR B 214 -7.050 7.942 -3.373 1.00 15.00 C ATOM 743 O TYR B 214 -8.092 8.493 -3.012 1.00 15.00 O ATOM 744 CB TYR B 214 -6.659 9.286 -5.492 1.00 15.00 C ATOM 745 CG TYR B 214 -5.628 9.373 -6.590 1.00 15.00 C ATOM 746 CD1 TYR B 214 -5.705 8.541 -7.698 1.00 15.00 C ATOM 747 CD2 TYR B 214 -4.552 10.242 -6.493 1.00 15.00 C ATOM 748 CE1 TYR B 214 -4.737 8.568 -8.678 1.00 15.00 C ATOM 749 CE2 TYR B 214 -3.585 10.286 -7.475 1.00 15.00 C ATOM 750 CZ TYR B 214 -3.679 9.445 -8.563 1.00 15.00 C ATOM 751 OH TYR B 214 -2.696 9.470 -9.525 1.00 15.00 O ATOM 0 H TYR B 214 -8.422 7.124 -5.587 1.00 15.00 H new ATOM 0 HA TYR B 214 -5.592 7.584 -4.842 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -7.651 9.478 -5.902 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.468 10.057 -4.746 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.538 7.861 -7.794 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -4.470 10.894 -5.636 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -4.806 7.907 -9.530 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -2.758 10.976 -7.392 1.00 15.00 H new ATOM 0 HH TYR B 214 -2.026 10.146 -9.291 1.00 15.00 H new ATOM 761 N PRO B 215 -6.240 7.292 -2.529 1.00 15.00 N ATOM 762 CA PRO B 215 -6.506 7.151 -1.101 1.00 15.00 C ATOM 763 C PRO B 215 -6.222 8.433 -0.320 1.00 15.00 C ATOM 764 O PRO B 215 -5.073 8.873 -0.205 1.00 15.00 O ATOM 765 CB PRO B 215 -5.557 6.028 -0.678 1.00 15.00 C ATOM 766 CG PRO B 215 -4.415 6.109 -1.638 1.00 15.00 C ATOM 767 CD PRO B 215 -4.981 6.632 -2.928 1.00 15.00 C ATOM 0 HA PRO B 215 -7.555 6.937 -0.898 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -5.220 6.162 0.350 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.048 5.056 -0.728 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -3.636 6.770 -1.259 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -3.959 5.130 -1.783 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.298 7.333 -3.407 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.162 5.826 -3.639 1.00 15.00 H new