USER MOD reduce.3.24.130724 H: found=0, std=0, add=363, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 369 hydrogens (2 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 291 THR OG1 : rot -51:sc= 0.207 USER MOD Single : A 293 SER OG : rot 180:sc= 0 USER MOD Single : A 297 TYR OH : rot 180:sc= 0.366 USER MOD Single : A 301 HIS :FLIP no HE2:sc= -6.92! C(o=-14!,f=-6.9!) USER MOD Single : A 302 ASN :FLIP amide:sc= -0.146 F(o=-0.85,f=-0.15) USER MOD Single : A 303 ASN : amide:sc= 0.513 K(o=0.51,f=-0.17) USER MOD Single : A 305 THR OG1 : rot 74:sc= 0.788 USER MOD Single : A 306 THR OG1 : rot 180:sc= 0 USER MOD Single : A 307 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.74) USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot -95:sc= 0.0825 USER MOD Single : B 227 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 279 -13.546 2.285 -2.221 1.00 15.00 N ATOM 2 CA LEU A 279 -13.500 3.702 -2.646 1.00 15.00 C ATOM 3 C LEU A 279 -14.048 4.602 -1.543 1.00 15.00 C ATOM 4 O LEU A 279 -15.159 4.390 -1.056 1.00 15.00 O ATOM 5 CB LEU A 279 -14.290 3.921 -3.952 1.00 15.00 C ATOM 6 CG LEU A 279 -15.805 3.675 -3.889 1.00 15.00 C ATOM 7 CD1 LEU A 279 -16.498 4.364 -5.054 1.00 15.00 C ATOM 8 CD2 LEU A 279 -16.117 2.188 -3.916 1.00 15.00 C ATOM 0 HA LEU A 279 -12.458 3.962 -2.834 1.00 15.00 H new ATOM 0 HB2 LEU A 279 -14.125 4.947 -4.282 1.00 15.00 H new ATOM 0 HB3 LEU A 279 -13.870 3.268 -4.717 1.00 15.00 H new ATOM 0 HG LEU A 279 -16.175 4.090 -2.951 1.00 15.00 H new ATOM 0 HD11 LEU A 279 -17.571 4.182 -4.998 1.00 15.00 H new ATOM 0 HD12 LEU A 279 -16.309 5.436 -5.007 1.00 15.00 H new ATOM 0 HD13 LEU A 279 -16.111 3.968 -5.993 1.00 15.00 H new ATOM 0 HD21 LEU A 279 -17.196 2.042 -3.870 1.00 15.00 H new ATOM 0 HD22 LEU A 279 -15.730 1.752 -4.837 1.00 15.00 H new ATOM 0 HD23 LEU A 279 -15.649 1.702 -3.060 1.00 15.00 H new ATOM 22 N GLY A 280 -13.265 5.597 -1.140 1.00 15.00 N ATOM 23 CA GLY A 280 -13.732 6.535 -0.139 1.00 15.00 C ATOM 24 C GLY A 280 -12.683 6.873 0.907 1.00 15.00 C ATOM 25 O GLY A 280 -11.828 7.726 0.677 1.00 15.00 O ATOM 0 H GLY A 280 -12.321 5.769 -1.487 1.00 15.00 H new ATOM 0 HA2 GLY A 280 -14.051 7.453 -0.633 1.00 15.00 H new ATOM 0 HA3 GLY A 280 -14.609 6.119 0.357 1.00 15.00 H new ATOM 29 N PRO A 281 -12.717 6.200 2.065 1.00 15.00 N ATOM 30 CA PRO A 281 -11.878 6.544 3.208 1.00 15.00 C ATOM 31 C PRO A 281 -10.523 5.833 3.221 1.00 15.00 C ATOM 32 O PRO A 281 -10.406 4.670 2.828 1.00 15.00 O ATOM 33 CB PRO A 281 -12.732 6.071 4.378 1.00 15.00 C ATOM 34 CG PRO A 281 -13.481 4.884 3.859 1.00 15.00 C ATOM 35 CD PRO A 281 -13.592 5.050 2.361 1.00 15.00 C ATOM 0 HA PRO A 281 -11.616 7.602 3.215 1.00 15.00 H new ATOM 0 HB2 PRO A 281 -12.113 5.803 5.235 1.00 15.00 H new ATOM 0 HB3 PRO A 281 -13.414 6.854 4.710 1.00 15.00 H new ATOM 0 HG2 PRO A 281 -12.958 3.960 4.107 1.00 15.00 H new ATOM 0 HG3 PRO A 281 -14.469 4.823 4.314 1.00 15.00 H new ATOM 0 HD2 PRO A 281 -13.265 4.153 1.834 1.00 15.00 H new ATOM 0 HD3 PRO A 281 -14.621 5.242 2.056 1.00 15.00 H new ATOM 43 N LEU A 282 -9.505 6.543 3.689 1.00 15.00 N ATOM 44 CA LEU A 282 -8.180 5.965 3.882 1.00 15.00 C ATOM 45 C LEU A 282 -7.851 5.942 5.371 1.00 15.00 C ATOM 46 O LEU A 282 -7.817 6.992 6.015 1.00 15.00 O ATOM 47 CB LEU A 282 -7.126 6.786 3.133 1.00 15.00 C ATOM 48 CG LEU A 282 -5.710 6.198 3.119 1.00 15.00 C ATOM 49 CD1 LEU A 282 -5.642 4.985 2.206 1.00 15.00 C ATOM 50 CD2 LEU A 282 -4.700 7.246 2.684 1.00 15.00 C ATOM 0 H LEU A 282 -9.572 7.528 3.944 1.00 15.00 H new ATOM 0 HA LEU A 282 -8.175 4.948 3.489 1.00 15.00 H new ATOM 0 HB2 LEU A 282 -7.457 6.913 2.102 1.00 15.00 H new ATOM 0 HB3 LEU A 282 -7.082 7.780 3.579 1.00 15.00 H new ATOM 0 HG LEU A 282 -5.463 5.880 4.132 1.00 15.00 H new ATOM 0 HD11 LEU A 282 -4.629 4.583 2.210 1.00 15.00 H new ATOM 0 HD12 LEU A 282 -6.336 4.223 2.561 1.00 15.00 H new ATOM 0 HD13 LEU A 282 -5.912 5.278 1.191 1.00 15.00 H new ATOM 0 HD21 LEU A 282 -3.701 6.809 2.680 1.00 15.00 H new ATOM 0 HD22 LEU A 282 -4.947 7.595 1.681 1.00 15.00 H new ATOM 0 HD23 LEU A 282 -4.726 8.086 3.378 1.00 15.00 H new ATOM 62 N PRO A 283 -7.629 4.752 5.942 1.00 15.00 N ATOM 63 CA PRO A 283 -7.310 4.611 7.366 1.00 15.00 C ATOM 64 C PRO A 283 -6.003 5.308 7.735 1.00 15.00 C ATOM 65 O PRO A 283 -5.001 5.176 7.031 1.00 15.00 O ATOM 66 CB PRO A 283 -7.188 3.093 7.560 1.00 15.00 C ATOM 67 CG PRO A 283 -7.914 2.504 6.401 1.00 15.00 C ATOM 68 CD PRO A 283 -7.674 3.447 5.264 1.00 15.00 C ATOM 0 HA PRO A 283 -8.067 5.071 8.002 1.00 15.00 H new ATOM 0 HB2 PRO A 283 -6.145 2.778 7.575 1.00 15.00 H new ATOM 0 HB3 PRO A 283 -7.630 2.778 8.505 1.00 15.00 H new ATOM 0 HG2 PRO A 283 -7.542 1.506 6.170 1.00 15.00 H new ATOM 0 HG3 PRO A 283 -8.979 2.406 6.613 1.00 15.00 H new ATOM 0 HD2 PRO A 283 -6.742 3.227 4.743 1.00 15.00 H new ATOM 0 HD3 PRO A 283 -8.472 3.401 4.523 1.00 15.00 H new ATOM 76 N PRO A 284 -6.003 6.063 8.843 1.00 15.00 N ATOM 77 CA PRO A 284 -4.817 6.784 9.314 1.00 15.00 C ATOM 78 C PRO A 284 -3.636 5.849 9.565 1.00 15.00 C ATOM 79 O PRO A 284 -3.754 4.859 10.291 1.00 15.00 O ATOM 80 CB PRO A 284 -5.277 7.436 10.625 1.00 15.00 C ATOM 81 CG PRO A 284 -6.516 6.705 11.014 1.00 15.00 C ATOM 82 CD PRO A 284 -7.156 6.270 9.731 1.00 15.00 C ATOM 0 HA PRO A 284 -4.462 7.503 8.576 1.00 15.00 H new ATOM 0 HB2 PRO A 284 -4.512 7.351 11.396 1.00 15.00 H new ATOM 0 HB3 PRO A 284 -5.474 8.499 10.488 1.00 15.00 H new ATOM 0 HG2 PRO A 284 -6.282 5.847 11.644 1.00 15.00 H new ATOM 0 HG3 PRO A 284 -7.185 7.348 11.586 1.00 15.00 H new ATOM 0 HD2 PRO A 284 -7.737 5.357 9.859 1.00 15.00 H new ATOM 0 HD3 PRO A 284 -7.835 7.028 9.341 1.00 15.00 H new ATOM 90 N GLY A 285 -2.502 6.163 8.957 1.00 15.00 N ATOM 91 CA GLY A 285 -1.321 5.341 9.121 1.00 15.00 C ATOM 92 C GLY A 285 -1.048 4.475 7.909 1.00 15.00 C ATOM 93 O GLY A 285 -0.089 3.701 7.890 1.00 15.00 O ATOM 0 H GLY A 285 -2.378 6.974 8.351 1.00 15.00 H new ATOM 0 HA2 GLY A 285 -0.459 5.981 9.308 1.00 15.00 H new ATOM 0 HA3 GLY A 285 -1.443 4.706 9.998 1.00 15.00 H new ATOM 97 N TRP A 286 -1.901 4.603 6.906 1.00 15.00 N ATOM 98 CA TRP A 286 -1.755 3.853 5.669 1.00 15.00 C ATOM 99 C TRP A 286 -0.912 4.611 4.669 1.00 15.00 C ATOM 100 O TRP A 286 -1.353 5.611 4.101 1.00 15.00 O ATOM 101 CB TRP A 286 -3.130 3.568 5.048 1.00 15.00 C ATOM 102 CG TRP A 286 -3.779 2.330 5.566 1.00 15.00 C ATOM 103 CD1 TRP A 286 -3.966 1.987 6.872 1.00 15.00 C ATOM 104 CD2 TRP A 286 -4.318 1.261 4.783 1.00 15.00 C ATOM 105 NE1 TRP A 286 -4.581 0.765 6.952 1.00 15.00 N ATOM 106 CE2 TRP A 286 -4.800 0.293 5.687 1.00 15.00 C ATOM 107 CE3 TRP A 286 -4.439 1.019 3.405 1.00 15.00 C ATOM 108 CZ2 TRP A 286 -5.383 -0.898 5.264 1.00 15.00 C ATOM 109 CZ3 TRP A 286 -5.009 -0.169 2.997 1.00 15.00 C ATOM 110 CH2 TRP A 286 -5.472 -1.115 3.918 1.00 15.00 C ATOM 0 H TRP A 286 -2.709 5.225 6.925 1.00 15.00 H new ATOM 0 HA TRP A 286 -1.260 2.913 5.912 1.00 15.00 H new ATOM 0 HB2 TRP A 286 -3.787 4.417 5.237 1.00 15.00 H new ATOM 0 HB3 TRP A 286 -3.020 3.484 3.967 1.00 15.00 H new ATOM 0 HD1 TRP A 286 -3.673 2.590 7.719 1.00 15.00 H new ATOM 0 HE1 TRP A 286 -4.835 0.285 7.815 1.00 15.00 H new ATOM 0 HE3 TRP A 286 -4.095 1.745 2.683 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 -5.751 -1.624 5.974 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 -5.100 -0.374 1.941 1.00 15.00 H new ATOM 0 HH2 TRP A 286 -5.908 -2.035 3.558 1.00 15.00 H new ATOM 121 N GLU A 287 0.302 4.141 4.461 1.00 15.00 N ATOM 122 CA GLU A 287 1.131 4.684 3.415 1.00 15.00 C ATOM 123 C GLU A 287 0.878 3.902 2.140 1.00 15.00 C ATOM 124 O GLU A 287 1.154 2.706 2.058 1.00 15.00 O ATOM 125 CB GLU A 287 2.608 4.649 3.824 1.00 15.00 C ATOM 126 CG GLU A 287 3.074 5.913 4.531 1.00 15.00 C ATOM 127 CD GLU A 287 2.305 6.196 5.803 1.00 15.00 C ATOM 128 OE1 GLU A 287 2.646 5.604 6.848 1.00 15.00 O ATOM 129 OE2 GLU A 287 1.370 7.020 5.766 1.00 15.00 O1- ATOM 0 H GLU A 287 0.730 3.389 5.001 1.00 15.00 H new ATOM 0 HA GLU A 287 0.878 5.730 3.241 1.00 15.00 H new ATOM 0 HB2 GLU A 287 2.775 3.794 4.479 1.00 15.00 H new ATOM 0 HB3 GLU A 287 3.219 4.494 2.935 1.00 15.00 H new ATOM 0 HG2 GLU A 287 4.134 5.821 4.767 1.00 15.00 H new ATOM 0 HG3 GLU A 287 2.970 6.761 3.854 1.00 15.00 H new ATOM 136 N VAL A 288 0.307 4.573 1.160 1.00 15.00 N ATOM 137 CA VAL A 288 -0.055 3.927 -0.086 1.00 15.00 C ATOM 138 C VAL A 288 1.104 4.007 -1.073 1.00 15.00 C ATOM 139 O VAL A 288 1.368 5.051 -1.675 1.00 15.00 O ATOM 140 CB VAL A 288 -1.353 4.540 -0.679 1.00 15.00 C ATOM 141 CG1 VAL A 288 -1.333 6.060 -0.611 1.00 15.00 C ATOM 142 CG2 VAL A 288 -1.575 4.073 -2.110 1.00 15.00 C ATOM 0 H VAL A 288 0.083 5.567 1.202 1.00 15.00 H new ATOM 0 HA VAL A 288 -0.260 2.875 0.114 1.00 15.00 H new ATOM 0 HB VAL A 288 -2.186 4.188 -0.070 1.00 15.00 H new ATOM 0 HG11 VAL A 288 -2.256 6.455 -1.034 1.00 15.00 H new ATOM 0 HG12 VAL A 288 -1.246 6.377 0.428 1.00 15.00 H new ATOM 0 HG13 VAL A 288 -0.483 6.438 -1.178 1.00 15.00 H new ATOM 0 HG21 VAL A 288 -2.491 4.518 -2.500 1.00 15.00 H new ATOM 0 HG22 VAL A 288 -0.731 4.380 -2.728 1.00 15.00 H new ATOM 0 HG23 VAL A 288 -1.663 2.987 -2.129 1.00 15.00 H new ATOM 152 N ARG A 289 1.824 2.901 -1.206 1.00 15.00 N ATOM 153 CA ARG A 289 3.003 2.872 -2.044 1.00 15.00 C ATOM 154 C ARG A 289 2.593 2.447 -3.445 1.00 15.00 C ATOM 155 O ARG A 289 2.290 1.282 -3.700 1.00 15.00 O ATOM 156 CB ARG A 289 4.068 1.938 -1.440 1.00 15.00 C ATOM 157 CG ARG A 289 5.505 2.212 -1.890 1.00 15.00 C ATOM 158 CD ARG A 289 5.742 1.852 -3.353 1.00 15.00 C ATOM 159 NE ARG A 289 7.085 2.213 -3.816 1.00 15.00 N ATOM 160 CZ ARG A 289 8.113 1.363 -3.911 1.00 15.00 C ATOM 161 NH1 ARG A 289 7.998 0.106 -3.501 1.00 15.00 N1+ ATOM 162 NH2 ARG A 289 9.263 1.779 -4.424 1.00 15.00 N ATOM 0 H ARG A 289 1.609 2.018 -0.744 1.00 15.00 H new ATOM 0 HA ARG A 289 3.453 3.863 -2.101 1.00 15.00 H new ATOM 0 HB2 ARG A 289 4.023 2.016 -0.354 1.00 15.00 H new ATOM 0 HB3 ARG A 289 3.814 0.909 -1.696 1.00 15.00 H new ATOM 0 HG2 ARG A 289 5.734 3.267 -1.738 1.00 15.00 H new ATOM 0 HG3 ARG A 289 6.192 1.643 -1.264 1.00 15.00 H new ATOM 0 HD2 ARG A 289 5.592 0.781 -3.488 1.00 15.00 H new ATOM 0 HD3 ARG A 289 5.001 2.358 -3.972 1.00 15.00 H new ATOM 0 HE ARG A 289 7.247 3.183 -4.085 1.00 15.00 H new ATOM 0 HH11 ARG A 289 7.117 -0.223 -3.107 1.00 15.00 H new ATOM 0 HH12 ARG A 289 8.791 -0.531 -3.580 1.00 15.00 H new ATOM 0 HH21 ARG A 289 9.360 2.743 -4.744 1.00 15.00 H new ATOM 0 HH22 ARG A 289 10.051 1.135 -4.499 1.00 15.00 H new ATOM 176 N SER A 290 2.521 3.420 -4.328 1.00 15.00 N ATOM 177 CA SER A 290 2.125 3.188 -5.698 1.00 15.00 C ATOM 178 C SER A 290 3.353 2.883 -6.544 1.00 15.00 C ATOM 179 O SER A 290 4.404 3.497 -6.364 1.00 15.00 O ATOM 180 CB SER A 290 1.410 4.432 -6.209 1.00 15.00 C ATOM 181 OG SER A 290 0.979 4.281 -7.551 1.00 15.00 O ATOM 0 H SER A 290 2.736 4.394 -4.115 1.00 15.00 H new ATOM 0 HA SER A 290 1.452 2.333 -5.761 1.00 15.00 H new ATOM 0 HB2 SER A 290 0.550 4.643 -5.573 1.00 15.00 H new ATOM 0 HB3 SER A 290 2.078 5.290 -6.137 1.00 15.00 H new ATOM 0 HG SER A 290 0.524 5.098 -7.842 1.00 15.00 H new ATOM 187 N THR A 291 3.228 1.932 -7.456 1.00 15.00 N ATOM 188 CA THR A 291 4.339 1.579 -8.319 1.00 15.00 C ATOM 189 C THR A 291 3.938 1.660 -9.789 1.00 15.00 C ATOM 190 O THR A 291 2.833 1.245 -10.172 1.00 15.00 O ATOM 191 CB THR A 291 4.887 0.175 -7.993 1.00 15.00 C ATOM 192 OG1 THR A 291 3.853 -0.808 -8.137 1.00 15.00 O ATOM 193 CG2 THR A 291 5.436 0.125 -6.574 1.00 15.00 C ATOM 0 H THR A 291 2.375 1.396 -7.616 1.00 15.00 H new ATOM 0 HA THR A 291 5.133 2.303 -8.134 1.00 15.00 H new ATOM 0 HB THR A 291 5.694 -0.042 -8.693 1.00 15.00 H new ATOM 0 HG1 THR A 291 3.062 -0.527 -7.632 1.00 15.00 H new ATOM 0 HG21 THR A 291 5.817 -0.875 -6.366 1.00 15.00 H new ATOM 0 HG22 THR A 291 6.244 0.850 -6.471 1.00 15.00 H new ATOM 0 HG23 THR A 291 4.641 0.364 -5.868 1.00 15.00 H new ATOM 201 N VAL A 292 4.859 2.180 -10.602 1.00 15.00 N ATOM 202 CA VAL A 292 4.635 2.423 -12.030 1.00 15.00 C ATOM 203 C VAL A 292 4.292 1.130 -12.780 1.00 15.00 C ATOM 204 O VAL A 292 3.796 1.163 -13.907 1.00 15.00 O ATOM 205 CB VAL A 292 5.871 3.099 -12.673 1.00 15.00 C ATOM 206 CG1 VAL A 292 7.067 2.158 -12.685 1.00 15.00 C ATOM 207 CG2 VAL A 292 5.560 3.597 -14.078 1.00 15.00 C ATOM 0 H VAL A 292 5.791 2.447 -10.285 1.00 15.00 H new ATOM 0 HA VAL A 292 3.781 3.095 -12.112 1.00 15.00 H new ATOM 0 HB VAL A 292 6.128 3.963 -12.061 1.00 15.00 H new ATOM 0 HG11 VAL A 292 7.920 2.660 -13.142 1.00 15.00 H new ATOM 0 HG12 VAL A 292 7.318 1.875 -11.663 1.00 15.00 H new ATOM 0 HG13 VAL A 292 6.821 1.264 -13.259 1.00 15.00 H new ATOM 0 HG21 VAL A 292 6.447 4.066 -14.502 1.00 15.00 H new ATOM 0 HG22 VAL A 292 5.260 2.757 -14.704 1.00 15.00 H new ATOM 0 HG23 VAL A 292 4.750 4.325 -14.035 1.00 15.00 H new ATOM 217 N SER A 293 4.552 -0.004 -12.141 1.00 15.00 N ATOM 218 CA SER A 293 4.188 -1.306 -12.687 1.00 15.00 C ATOM 219 C SER A 293 2.675 -1.417 -12.883 1.00 15.00 C ATOM 220 O SER A 293 2.188 -2.336 -13.542 1.00 15.00 O ATOM 221 CB SER A 293 4.681 -2.411 -11.754 1.00 15.00 C ATOM 222 OG SER A 293 6.059 -2.245 -11.465 1.00 15.00 O ATOM 0 H SER A 293 5.018 -0.048 -11.235 1.00 15.00 H new ATOM 0 HA SER A 293 4.662 -1.417 -13.662 1.00 15.00 H new ATOM 0 HB2 SER A 293 4.106 -2.396 -10.828 1.00 15.00 H new ATOM 0 HB3 SER A 293 4.516 -3.384 -12.216 1.00 15.00 H new ATOM 0 HG SER A 293 6.356 -2.961 -10.865 1.00 15.00 H new ATOM 228 N GLY A 294 1.934 -0.498 -12.271 1.00 15.00 N ATOM 229 CA GLY A 294 0.494 -0.508 -12.382 1.00 15.00 C ATOM 230 C GLY A 294 -0.136 -1.333 -11.287 1.00 15.00 C ATOM 231 O GLY A 294 -1.143 -2.007 -11.503 1.00 15.00 O ATOM 0 H GLY A 294 2.312 0.256 -11.698 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.117 0.513 -12.333 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.205 -0.909 -13.354 1.00 15.00 H new ATOM 235 N ARG A 295 0.463 -1.283 -10.106 1.00 15.00 N ATOM 236 CA ARG A 295 -0.046 -2.033 -8.967 1.00 15.00 C ATOM 237 C ARG A 295 0.092 -1.218 -7.687 1.00 15.00 C ATOM 238 O ARG A 295 1.173 -0.718 -7.360 1.00 15.00 O ATOM 239 CB ARG A 295 0.674 -3.386 -8.831 1.00 15.00 C ATOM 240 CG ARG A 295 2.189 -3.283 -8.765 1.00 15.00 C ATOM 241 CD ARG A 295 2.818 -4.657 -8.660 1.00 15.00 C ATOM 242 NE ARG A 295 4.278 -4.614 -8.626 1.00 15.00 N ATOM 243 CZ ARG A 295 5.045 -5.678 -8.863 1.00 15.00 C ATOM 244 NH1 ARG A 295 4.486 -6.819 -9.255 1.00 15.00 N1+ ATOM 245 NH2 ARG A 295 6.366 -5.596 -8.745 1.00 15.00 N ATOM 0 H ARG A 295 1.300 -0.733 -9.912 1.00 15.00 H new ATOM 0 HA ARG A 295 -1.104 -2.232 -9.137 1.00 15.00 H new ATOM 0 HB2 ARG A 295 0.316 -3.886 -7.931 1.00 15.00 H new ATOM 0 HB3 ARG A 295 0.401 -4.017 -9.677 1.00 15.00 H new ATOM 0 HG2 ARG A 295 2.562 -2.774 -9.654 1.00 15.00 H new ATOM 0 HG3 ARG A 295 2.480 -2.678 -7.906 1.00 15.00 H new ATOM 0 HD2 ARG A 295 2.453 -5.150 -7.759 1.00 15.00 H new ATOM 0 HD3 ARG A 295 2.497 -5.263 -9.507 1.00 15.00 H new ATOM 0 HE ARG A 295 4.732 -3.727 -8.410 1.00 15.00 H new ATOM 0 HH11 ARG A 295 3.475 -6.877 -9.373 1.00 15.00 H new ATOM 0 HH12 ARG A 295 5.069 -7.636 -9.438 1.00 15.00 H new ATOM 0 HH21 ARG A 295 6.800 -4.714 -8.471 1.00 15.00 H new ATOM 0 HH22 ARG A 295 6.946 -6.415 -8.928 1.00 15.00 H new ATOM 259 N ILE A 296 -1.021 -1.066 -6.989 1.00 15.00 N ATOM 260 CA ILE A 296 -1.034 -0.402 -5.699 1.00 15.00 C ATOM 261 C ILE A 296 -0.809 -1.455 -4.621 1.00 15.00 C ATOM 262 O ILE A 296 -1.347 -2.559 -4.711 1.00 15.00 O ATOM 263 CB ILE A 296 -2.372 0.366 -5.480 1.00 15.00 C ATOM 264 CG1 ILE A 296 -2.295 1.311 -4.271 1.00 15.00 C ATOM 265 CG2 ILE A 296 -3.546 -0.597 -5.326 1.00 15.00 C ATOM 266 CD1 ILE A 296 -2.507 0.641 -2.930 1.00 15.00 C ATOM 0 H ILE A 296 -1.935 -1.397 -7.299 1.00 15.00 H new ATOM 0 HA ILE A 296 -0.238 0.341 -5.652 1.00 15.00 H new ATOM 0 HB ILE A 296 -2.538 0.972 -6.370 1.00 15.00 H new ATOM 0 HG12 ILE A 296 -1.320 1.797 -4.269 1.00 15.00 H new ATOM 0 HG13 ILE A 296 -3.042 2.096 -4.392 1.00 15.00 H new ATOM 0 HG21 ILE A 296 -4.464 -0.030 -5.175 1.00 15.00 H new ATOM 0 HG22 ILE A 296 -3.639 -1.204 -6.226 1.00 15.00 H new ATOM 0 HG23 ILE A 296 -3.374 -1.245 -4.467 1.00 15.00 H new ATOM 0 HD11 ILE A 296 -2.435 1.385 -2.136 1.00 15.00 H new ATOM 0 HD12 ILE A 296 -3.494 0.179 -2.906 1.00 15.00 H new ATOM 0 HD13 ILE A 296 -1.745 -0.124 -2.781 1.00 15.00 H new ATOM 278 N TYR A 297 0.011 -1.143 -3.627 1.00 15.00 N ATOM 279 CA TYR A 297 0.339 -2.137 -2.627 1.00 15.00 C ATOM 280 C TYR A 297 0.623 -1.409 -1.337 1.00 15.00 C ATOM 281 O TYR A 297 1.289 -0.363 -1.316 1.00 15.00 O ATOM 282 CB TYR A 297 1.491 -3.076 -3.058 1.00 15.00 C ATOM 283 CG TYR A 297 2.897 -2.649 -2.695 1.00 15.00 C ATOM 284 CD1 TYR A 297 3.458 -1.485 -3.190 1.00 15.00 C ATOM 285 CD2 TYR A 297 3.672 -3.442 -1.851 1.00 15.00 C ATOM 286 CE1 TYR A 297 4.744 -1.120 -2.849 1.00 15.00 C ATOM 287 CE2 TYR A 297 4.957 -3.081 -1.509 1.00 15.00 C ATOM 288 CZ TYR A 297 5.487 -1.919 -2.008 1.00 15.00 C ATOM 289 OH TYR A 297 6.768 -1.549 -1.667 1.00 15.00 O ATOM 0 H TYR A 297 0.450 -0.232 -3.496 1.00 15.00 H new ATOM 0 HA TYR A 297 -0.507 -2.811 -2.490 1.00 15.00 H new ATOM 0 HB2 TYR A 297 1.311 -4.057 -2.619 1.00 15.00 H new ATOM 0 HB3 TYR A 297 1.442 -3.197 -4.140 1.00 15.00 H new ATOM 0 HD1 TYR A 297 2.882 -0.855 -3.851 1.00 15.00 H new ATOM 0 HD2 TYR A 297 3.257 -4.358 -1.457 1.00 15.00 H new ATOM 0 HE1 TYR A 297 5.168 -0.208 -3.241 1.00 15.00 H new ATOM 0 HE2 TYR A 297 5.542 -3.708 -0.853 1.00 15.00 H new ATOM 0 HH TYR A 297 7.153 -2.220 -1.066 1.00 15.00 H new ATOM 299 N PHE A 298 0.096 -1.931 -0.273 1.00 15.00 N ATOM 300 CA PHE A 298 0.061 -1.196 0.939 1.00 15.00 C ATOM 301 C PHE A 298 1.184 -1.460 1.871 1.00 15.00 C ATOM 302 O PHE A 298 1.565 -2.596 2.126 1.00 15.00 O ATOM 303 CB PHE A 298 -1.246 -1.386 1.625 1.00 15.00 C ATOM 304 CG PHE A 298 -2.043 -0.200 1.353 1.00 15.00 C ATOM 305 CD1 PHE A 298 -1.682 0.993 1.940 1.00 15.00 C ATOM 306 CD2 PHE A 298 -3.097 -0.243 0.474 1.00 15.00 C ATOM 307 CE1 PHE A 298 -2.370 2.130 1.663 1.00 15.00 C ATOM 308 CE2 PHE A 298 -3.795 0.895 0.197 1.00 15.00 C ATOM 309 CZ PHE A 298 -3.425 2.075 0.795 1.00 15.00 C ATOM 0 H PHE A 298 -0.314 -2.864 -0.226 1.00 15.00 H new ATOM 0 HA PHE A 298 0.183 -0.154 0.642 1.00 15.00 H new ATOM 0 HB2 PHE A 298 -1.748 -2.281 1.258 1.00 15.00 H new ATOM 0 HB3 PHE A 298 -1.103 -1.518 2.698 1.00 15.00 H new ATOM 0 HD1 PHE A 298 -0.847 1.024 2.624 1.00 15.00 H new ATOM 0 HD2 PHE A 298 -3.372 -1.175 0.004 1.00 15.00 H new ATOM 0 HE1 PHE A 298 -2.088 3.066 2.122 1.00 15.00 H new ATOM 0 HE2 PHE A 298 -4.631 0.869 -0.486 1.00 15.00 H new ATOM 0 HZ PHE A 298 -3.978 2.976 0.575 1.00 15.00 H new ATOM 319 N VAL A 299 1.649 -0.364 2.418 1.00 15.00 N ATOM 320 CA VAL A 299 2.705 -0.372 3.372 1.00 15.00 C ATOM 321 C VAL A 299 2.270 0.472 4.577 1.00 15.00 C ATOM 322 O VAL A 299 2.448 1.691 4.639 1.00 15.00 O ATOM 323 CB VAL A 299 4.014 0.153 2.722 1.00 15.00 C ATOM 324 CG1 VAL A 299 4.387 -0.707 1.513 1.00 15.00 C ATOM 325 CG2 VAL A 299 3.870 1.600 2.279 1.00 15.00 C ATOM 0 H VAL A 299 1.292 0.567 2.203 1.00 15.00 H new ATOM 0 HA VAL A 299 2.912 -1.385 3.716 1.00 15.00 H new ATOM 0 HB VAL A 299 4.801 0.094 3.474 1.00 15.00 H new ATOM 0 HG11 VAL A 299 5.306 -0.328 1.067 1.00 15.00 H new ATOM 0 HG12 VAL A 299 4.537 -1.738 1.832 1.00 15.00 H new ATOM 0 HG13 VAL A 299 3.584 -0.668 0.777 1.00 15.00 H new ATOM 0 HG21 VAL A 299 4.803 1.937 1.828 1.00 15.00 H new ATOM 0 HG22 VAL A 299 3.065 1.678 1.548 1.00 15.00 H new ATOM 0 HG23 VAL A 299 3.638 2.224 3.142 1.00 15.00 H new ATOM 335 N ASP A 300 1.639 -0.180 5.523 1.00 15.00 N ATOM 336 CA ASP A 300 1.205 0.504 6.720 1.00 15.00 C ATOM 337 C ASP A 300 2.314 0.411 7.749 1.00 15.00 C ATOM 338 O ASP A 300 2.675 -0.675 8.195 1.00 15.00 O ATOM 339 CB ASP A 300 -0.137 -0.069 7.218 1.00 15.00 C ATOM 340 CG ASP A 300 -0.158 -0.385 8.703 1.00 15.00 C ATOM 341 OD1 ASP A 300 -0.123 0.563 9.523 1.00 15.00 O ATOM 342 OD2 ASP A 300 -0.221 -1.580 9.055 1.00 15.00 O1- ATOM 0 H ASP A 300 1.415 -1.175 5.490 1.00 15.00 H new ATOM 0 HA ASP A 300 1.017 1.558 6.518 1.00 15.00 H new ATOM 0 HB2 ASP A 300 -0.930 0.645 6.997 1.00 15.00 H new ATOM 0 HB3 ASP A 300 -0.362 -0.978 6.660 1.00 15.00 H new ATOM 347 N HIS A 301 2.904 1.553 8.075 1.00 15.00 N ATOM 348 CA HIS A 301 4.090 1.567 8.919 1.00 15.00 C ATOM 349 C HIS A 301 3.704 1.539 10.394 1.00 15.00 C ATOM 350 O HIS A 301 4.554 1.353 11.263 1.00 15.00 O ATOM 351 CB HIS A 301 4.963 2.809 8.677 1.00 15.00 C ATOM 352 CG HIS A 301 5.243 3.178 7.246 1.00 15.00 C ATOM 353 ND1 HIS A 301 5.490 2.429 6.147 1.00 15.00 N flip ATOM 354 CD2 HIS A 301 5.413 4.479 6.850 1.00 15.00 C flip ATOM 355 CE1 HIS A 301 5.824 3.278 5.125 1.00 15.00 C flip ATOM 356 NE2 HIS A 301 5.757 4.513 5.585 1.00 15.00 N flip ATOM 0 H HIS A 301 2.585 2.473 7.771 1.00 15.00 H new ATOM 0 HA HIS A 301 4.661 0.676 8.656 1.00 15.00 H new ATOM 0 HB2 HIS A 301 4.482 3.660 9.159 1.00 15.00 H new ATOM 0 HB3 HIS A 301 5.918 2.656 9.180 1.00 15.00 H new ATOM 0 HD1 HIS A 301 5.437 1.412 6.089 1.00 15.00 H new ATOM 0 HD2 HIS A 301 5.283 5.344 7.483 1.00 15.00 H new ATOM 0 HE1 HIS A 301 6.094 2.988 4.120 1.00 15.00 H new ATOM 365 N ASN A 302 2.422 1.723 10.677 1.00 15.00 N ATOM 366 CA ASN A 302 1.973 1.900 12.054 1.00 15.00 C ATOM 367 C ASN A 302 1.553 0.579 12.681 1.00 15.00 C ATOM 368 O ASN A 302 1.984 0.250 13.788 1.00 15.00 O ATOM 369 CB ASN A 302 0.834 2.917 12.122 1.00 15.00 C ATOM 370 CG ASN A 302 1.302 4.324 11.797 1.00 15.00 C ATOM 371 OD1 ASN A 302 1.272 4.684 10.522 1.00 15.00 O flip ATOM 372 ND2 ASN A 302 1.697 5.081 12.683 1.00 15.00 N flip ATOM 0 H ASN A 302 1.679 1.754 9.979 1.00 15.00 H new ATOM 0 HA ASN A 302 2.816 2.283 12.629 1.00 15.00 H new ATOM 0 HB2 ASN A 302 0.048 2.627 11.425 1.00 15.00 H new ATOM 0 HB3 ASN A 302 0.396 2.903 13.120 1.00 15.00 H new ATOM 0 HD21 ASN A 302 1.706 4.769 13.654 1.00 15.00 H new ATOM 0 HD22 ASN A 302 2.016 6.021 12.446 1.00 15.00 H new ATOM 379 N ASN A 303 0.688 -0.157 11.997 1.00 15.00 N ATOM 380 CA ASN A 303 0.314 -1.496 12.439 1.00 15.00 C ATOM 381 C ASN A 303 1.259 -2.529 11.811 1.00 15.00 C ATOM 382 O ASN A 303 1.310 -3.686 12.236 1.00 15.00 O ATOM 383 CB ASN A 303 -1.145 -1.797 12.060 1.00 15.00 C ATOM 384 CG ASN A 303 -1.814 -2.836 12.953 1.00 15.00 C ATOM 385 OD1 ASN A 303 -3.033 -2.814 13.137 1.00 15.00 O ATOM 386 ND2 ASN A 303 -1.038 -3.749 13.511 1.00 15.00 N ATOM 0 H ASN A 303 0.233 0.148 11.137 1.00 15.00 H new ATOM 0 HA ASN A 303 0.401 -1.551 13.524 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -1.719 -0.872 12.103 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -1.177 -2.145 11.027 1.00 15.00 H new ATOM 0 HD21 ASN A 303 -1.444 -4.464 14.115 1.00 15.00 H new ATOM 0 HD22 ASN A 303 -0.033 -3.739 13.338 1.00 15.00 H new ATOM 393 N ARG A 304 1.995 -2.088 10.787 1.00 15.00 N ATOM 394 CA ARG A 304 2.959 -2.914 10.068 1.00 15.00 C ATOM 395 C ARG A 304 2.260 -4.056 9.337 1.00 15.00 C ATOM 396 O ARG A 304 2.219 -5.195 9.815 1.00 15.00 O ATOM 397 CB ARG A 304 4.051 -3.438 11.006 1.00 15.00 C ATOM 398 CG ARG A 304 5.229 -4.072 10.287 1.00 15.00 C ATOM 399 CD ARG A 304 6.367 -4.358 11.248 1.00 15.00 C ATOM 400 NE ARG A 304 7.553 -4.861 10.562 1.00 15.00 N ATOM 401 CZ ARG A 304 8.797 -4.698 11.011 1.00 15.00 C ATOM 402 NH1 ARG A 304 9.016 -4.072 12.163 1.00 15.00 N1+ ATOM 403 NH2 ARG A 304 9.821 -5.172 10.315 1.00 15.00 N ATOM 0 H ARG A 304 1.934 -1.134 10.432 1.00 15.00 H new ATOM 0 HA ARG A 304 3.444 -2.287 9.320 1.00 15.00 H new ATOM 0 HB2 ARG A 304 4.414 -2.614 11.621 1.00 15.00 H new ATOM 0 HB3 ARG A 304 3.613 -4.172 11.683 1.00 15.00 H new ATOM 0 HG2 ARG A 304 4.911 -4.999 9.809 1.00 15.00 H new ATOM 0 HG3 ARG A 304 5.576 -3.408 9.495 1.00 15.00 H new ATOM 0 HD2 ARG A 304 6.621 -3.447 11.789 1.00 15.00 H new ATOM 0 HD3 ARG A 304 6.040 -5.088 11.989 1.00 15.00 H new ATOM 0 HE ARG A 304 7.422 -5.368 9.686 1.00 15.00 H new ATOM 0 HH11 ARG A 304 8.230 -3.715 12.707 1.00 15.00 H new ATOM 0 HH12 ARG A 304 9.970 -3.949 12.503 1.00 15.00 H new ATOM 0 HH21 ARG A 304 9.657 -5.662 9.435 1.00 15.00 H new ATOM 0 HH22 ARG A 304 10.773 -5.047 10.659 1.00 15.00 H new ATOM 417 N THR A 305 1.659 -3.723 8.201 1.00 15.00 N ATOM 418 CA THR A 305 0.934 -4.694 7.396 1.00 15.00 C ATOM 419 C THR A 305 1.031 -4.346 5.908 1.00 15.00 C ATOM 420 O THR A 305 1.145 -3.172 5.544 1.00 15.00 O ATOM 421 CB THR A 305 -0.559 -4.746 7.788 1.00 15.00 C ATOM 422 OG1 THR A 305 -0.724 -4.388 9.168 1.00 15.00 O ATOM 423 CG2 THR A 305 -1.127 -6.139 7.555 1.00 15.00 C ATOM 0 H THR A 305 1.661 -2.779 7.815 1.00 15.00 H new ATOM 0 HA THR A 305 1.391 -5.666 7.582 1.00 15.00 H new ATOM 0 HB THR A 305 -1.098 -4.034 7.163 1.00 15.00 H new ATOM 0 HG1 THR A 305 -0.606 -3.421 9.271 1.00 15.00 H new ATOM 0 HG21 THR A 305 -2.180 -6.155 7.837 1.00 15.00 H new ATOM 0 HG22 THR A 305 -1.030 -6.400 6.501 1.00 15.00 H new ATOM 0 HG23 THR A 305 -0.579 -6.861 8.160 1.00 15.00 H new ATOM 431 N THR A 306 0.986 -5.368 5.064 1.00 15.00 N ATOM 432 CA THR A 306 0.997 -5.177 3.622 1.00 15.00 C ATOM 433 C THR A 306 -0.318 -5.677 3.014 1.00 15.00 C ATOM 434 O THR A 306 -0.796 -6.758 3.359 1.00 15.00 O ATOM 435 CB THR A 306 2.186 -5.920 2.984 1.00 15.00 C ATOM 436 OG1 THR A 306 3.386 -5.645 3.722 1.00 15.00 O ATOM 437 CG2 THR A 306 2.380 -5.503 1.534 1.00 15.00 C ATOM 0 H THR A 306 0.941 -6.344 5.357 1.00 15.00 H new ATOM 0 HA THR A 306 1.103 -4.112 3.417 1.00 15.00 H new ATOM 0 HB THR A 306 1.970 -6.988 3.012 1.00 15.00 H new ATOM 0 HG1 THR A 306 4.138 -6.121 3.313 1.00 15.00 H new ATOM 0 HG21 THR A 306 3.226 -6.044 1.110 1.00 15.00 H new ATOM 0 HG22 THR A 306 1.479 -5.735 0.965 1.00 15.00 H new ATOM 0 HG23 THR A 306 2.574 -4.431 1.486 1.00 15.00 H new ATOM 445 N GLN A 307 -0.905 -4.885 2.118 1.00 15.00 N ATOM 446 CA GLN A 307 -2.228 -5.195 1.558 1.00 15.00 C ATOM 447 C GLN A 307 -2.251 -4.998 0.044 1.00 15.00 C ATOM 448 O GLN A 307 -1.564 -4.138 -0.477 1.00 15.00 O ATOM 449 CB GLN A 307 -3.284 -4.280 2.186 1.00 15.00 C ATOM 450 CG GLN A 307 -3.423 -4.422 3.692 1.00 15.00 C ATOM 451 CD GLN A 307 -3.968 -5.773 4.104 1.00 15.00 C ATOM 452 OE1 GLN A 307 -4.731 -6.397 3.371 1.00 15.00 O ATOM 453 NE2 GLN A 307 -3.586 -6.231 5.283 1.00 15.00 N ATOM 0 H GLN A 307 -0.489 -4.024 1.762 1.00 15.00 H new ATOM 0 HA GLN A 307 -2.446 -6.239 1.781 1.00 15.00 H new ATOM 0 HB2 GLN A 307 -3.035 -3.245 1.953 1.00 15.00 H new ATOM 0 HB3 GLN A 307 -4.249 -4.488 1.723 1.00 15.00 H new ATOM 0 HG2 GLN A 307 -2.450 -4.270 4.158 1.00 15.00 H new ATOM 0 HG3 GLN A 307 -4.082 -3.639 4.067 1.00 15.00 H new ATOM 0 HE21 GLN A 307 -2.951 -5.682 5.862 1.00 15.00 H new ATOM 0 HE22 GLN A 307 -3.926 -7.134 5.614 1.00 15.00 H new ATOM 462 N PHE A 308 -3.041 -5.787 -0.664 1.00 15.00 N ATOM 463 CA PHE A 308 -3.282 -5.529 -2.081 1.00 15.00 C ATOM 464 C PHE A 308 -4.623 -4.833 -2.295 1.00 15.00 C ATOM 465 O PHE A 308 -4.897 -4.311 -3.374 1.00 15.00 O ATOM 466 CB PHE A 308 -3.191 -6.805 -2.921 1.00 15.00 C ATOM 467 CG PHE A 308 -1.802 -7.077 -3.437 1.00 15.00 C ATOM 468 CD1 PHE A 308 -1.009 -6.034 -3.898 1.00 15.00 C ATOM 469 CD2 PHE A 308 -1.295 -8.366 -3.478 1.00 15.00 C ATOM 470 CE1 PHE A 308 0.262 -6.271 -4.385 1.00 15.00 C ATOM 471 CE2 PHE A 308 -0.026 -8.606 -3.962 1.00 15.00 C ATOM 472 CZ PHE A 308 0.753 -7.559 -4.415 1.00 15.00 C ATOM 0 H PHE A 308 -3.524 -6.604 -0.290 1.00 15.00 H new ATOM 0 HA PHE A 308 -2.492 -4.859 -2.421 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -3.521 -7.652 -2.320 1.00 15.00 H new ATOM 0 HB3 PHE A 308 -3.876 -6.727 -3.765 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -1.391 -5.024 -3.875 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -1.899 -9.190 -3.128 1.00 15.00 H new ATOM 0 HE1 PHE A 308 0.868 -5.451 -4.741 1.00 15.00 H new ATOM 0 HE2 PHE A 308 0.359 -9.615 -3.987 1.00 15.00 H new ATOM 0 HZ PHE A 308 1.747 -7.749 -4.793 1.00 15.00 H new ATOM 482 N THR A 309 -5.470 -4.852 -1.274 1.00 15.00 N ATOM 483 CA THR A 309 -6.766 -4.190 -1.351 1.00 15.00 C ATOM 484 C THR A 309 -6.669 -2.726 -0.913 1.00 15.00 C ATOM 485 O THR A 309 -6.225 -2.420 0.198 1.00 15.00 O ATOM 486 CB THR A 309 -7.835 -4.926 -0.506 1.00 15.00 C ATOM 487 OG1 THR A 309 -9.046 -4.158 -0.456 1.00 15.00 O ATOM 488 CG2 THR A 309 -7.337 -5.197 0.910 1.00 15.00 C ATOM 0 H THR A 309 -5.284 -5.317 -0.385 1.00 15.00 H new ATOM 0 HA THR A 309 -7.076 -4.221 -2.396 1.00 15.00 H new ATOM 0 HB THR A 309 -8.034 -5.884 -0.986 1.00 15.00 H new ATOM 0 HG1 THR A 309 -9.714 -4.635 0.080 1.00 15.00 H new ATOM 0 HG21 THR A 309 -8.112 -5.715 1.475 1.00 15.00 H new ATOM 0 HG22 THR A 309 -6.442 -5.818 0.868 1.00 15.00 H new ATOM 0 HG23 THR A 309 -7.100 -4.252 1.400 1.00 15.00 H new ATOM 496 N ASP A 310 -7.087 -1.825 -1.794 1.00 15.00 N ATOM 497 CA ASP A 310 -7.071 -0.394 -1.502 1.00 15.00 C ATOM 498 C ASP A 310 -8.478 0.089 -1.149 1.00 15.00 C ATOM 499 O ASP A 310 -9.444 -0.240 -1.838 1.00 15.00 O ATOM 500 CB ASP A 310 -6.532 0.383 -2.708 1.00 15.00 C ATOM 501 CG ASP A 310 -6.278 1.848 -2.396 1.00 15.00 C ATOM 502 OD1 ASP A 310 -7.250 2.617 -2.306 1.00 15.00 O ATOM 503 OD2 ASP A 310 -5.106 2.236 -2.244 1.00 15.00 O1- ATOM 0 H ASP A 310 -7.443 -2.060 -2.721 1.00 15.00 H new ATOM 0 HA ASP A 310 -6.417 -0.217 -0.648 1.00 15.00 H new ATOM 0 HB2 ASP A 310 -5.604 -0.078 -3.047 1.00 15.00 H new ATOM 0 HB3 ASP A 310 -7.244 0.309 -3.530 1.00 15.00 H new ATOM 508 N PRO A 311 -8.616 0.864 -0.061 1.00 15.00 N ATOM 509 CA PRO A 311 -9.914 1.365 0.391 1.00 15.00 C ATOM 510 C PRO A 311 -10.366 2.641 -0.333 1.00 15.00 C ATOM 511 O PRO A 311 -11.538 3.018 -0.262 1.00 15.00 O ATOM 512 CB PRO A 311 -9.670 1.639 1.873 1.00 15.00 C ATOM 513 CG PRO A 311 -8.226 2.010 1.958 1.00 15.00 C ATOM 514 CD PRO A 311 -7.522 1.290 0.831 1.00 15.00 C ATOM 0 HA PRO A 311 -10.715 0.654 0.189 1.00 15.00 H new ATOM 0 HB2 PRO A 311 -10.308 2.445 2.237 1.00 15.00 H new ATOM 0 HB3 PRO A 311 -9.889 0.760 2.479 1.00 15.00 H new ATOM 0 HG2 PRO A 311 -8.098 3.089 1.867 1.00 15.00 H new ATOM 0 HG3 PRO A 311 -7.809 1.720 2.922 1.00 15.00 H new ATOM 0 HD2 PRO A 311 -6.820 1.946 0.316 1.00 15.00 H new ATOM 0 HD3 PRO A 311 -6.951 0.437 1.198 1.00 15.00 H new ATOM 522 N ARG A 312 -9.444 3.300 -1.025 1.00 15.00 N ATOM 523 CA ARG A 312 -9.752 4.531 -1.747 1.00 15.00 C ATOM 524 C ARG A 312 -10.062 4.232 -3.204 1.00 15.00 C ATOM 525 O ARG A 312 -10.934 4.856 -3.807 1.00 15.00 O ATOM 526 CB ARG A 312 -8.585 5.519 -1.672 1.00 15.00 C ATOM 527 CG ARG A 312 -8.573 6.376 -0.422 1.00 15.00 C ATOM 528 CD ARG A 312 -7.302 7.209 -0.338 1.00 15.00 C ATOM 529 NE ARG A 312 -6.985 7.875 -1.604 1.00 15.00 N ATOM 530 CZ ARG A 312 -5.786 8.380 -1.898 1.00 15.00 C ATOM 531 NH1 ARG A 312 -4.806 8.329 -1.005 1.00 15.00 N1+ ATOM 532 NH2 ARG A 312 -5.570 8.942 -3.083 1.00 15.00 N ATOM 0 H ARG A 312 -8.472 3.001 -1.102 1.00 15.00 H new ATOM 0 HA ARG A 312 -10.626 4.979 -1.275 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -7.649 4.963 -1.726 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -8.619 6.171 -2.545 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -9.443 7.033 -0.420 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -8.653 5.740 0.459 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -7.413 7.958 0.446 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -6.469 6.568 -0.050 1.00 15.00 H new ATOM 0 HE ARG A 312 -7.725 7.957 -2.301 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -4.969 7.903 -0.093 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -3.890 8.715 -1.231 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -6.322 8.988 -3.770 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -4.652 9.327 -3.305 1.00 15.00 H new ATOM 546 N LEU A 313 -9.323 3.295 -3.761 1.00 15.00 N ATOM 547 CA LEU A 313 -9.499 2.881 -5.137 1.00 15.00 C ATOM 548 C LEU A 313 -10.621 1.850 -5.217 1.00 15.00 C ATOM 549 O LEU A 313 -11.757 2.242 -5.565 1.00 15.00 O ATOM 550 CB LEU A 313 -8.159 2.334 -5.673 1.00 15.00 C ATOM 551 CG LEU A 313 -8.113 1.883 -7.142 1.00 15.00 C ATOM 552 CD1 LEU A 313 -8.441 0.403 -7.260 1.00 15.00 C ATOM 553 CD2 LEU A 313 -9.054 2.714 -8.006 1.00 15.00 C ATOM 0 H LEU A 313 -8.580 2.797 -3.270 1.00 15.00 H new ATOM 0 HA LEU A 313 -9.788 3.726 -5.762 1.00 15.00 H new ATOM 0 HB2 LEU A 313 -7.401 3.105 -5.534 1.00 15.00 H new ATOM 0 HB3 LEU A 313 -7.869 1.487 -5.052 1.00 15.00 H new ATOM 0 HG LEU A 313 -7.098 2.041 -7.508 1.00 15.00 H new ATOM 0 HD11 LEU A 313 -8.403 0.104 -8.308 1.00 15.00 H new ATOM 0 HD12 LEU A 313 -7.715 -0.177 -6.691 1.00 15.00 H new ATOM 0 HD13 LEU A 313 -9.441 0.219 -6.866 1.00 15.00 H new ATOM 0 HD21 LEU A 313 -8.998 2.370 -9.039 1.00 15.00 H new ATOM 0 HD22 LEU A 313 -10.075 2.604 -7.642 1.00 15.00 H new ATOM 0 HD23 LEU A 313 -8.762 3.763 -7.956 1.00 15.00 H new TER 565 LEU A 313 ATOM 566 N ASP B 221 -0.973 -9.717 -9.756 1.00 15.00 N ATOM 567 CA ASP B 221 0.298 -9.525 -9.023 1.00 15.00 C ATOM 568 C ASP B 221 0.437 -10.541 -7.898 1.00 15.00 C ATOM 569 O ASP B 221 -0.487 -10.750 -7.107 1.00 15.00 O ATOM 570 CB ASP B 221 0.410 -8.089 -8.494 1.00 15.00 C ATOM 571 CG ASP B 221 0.666 -7.118 -9.618 1.00 15.00 C ATOM 572 OD1 ASP B 221 1.826 -7.035 -10.075 1.00 15.00 O ATOM 573 OD2 ASP B 221 -0.289 -6.448 -10.060 1.00 15.00 O1- ATOM 0 HA ASP B 221 1.120 -9.689 -9.720 1.00 15.00 H new ATOM 0 HB2 ASP B 221 -0.509 -7.816 -7.975 1.00 15.00 H new ATOM 0 HB3 ASP B 221 1.218 -8.028 -7.765 1.00 15.00 H new ATOM 578 N THR B 222 1.608 -11.165 -7.840 1.00 15.00 N ATOM 579 CA THR B 222 1.901 -12.218 -6.879 1.00 15.00 C ATOM 580 C THR B 222 1.993 -11.671 -5.445 1.00 15.00 C ATOM 581 O THR B 222 1.910 -10.460 -5.252 1.00 15.00 O ATOM 582 CB THR B 222 3.206 -12.928 -7.291 1.00 15.00 C ATOM 583 OG1 THR B 222 4.136 -11.974 -7.828 1.00 15.00 O ATOM 584 CG2 THR B 222 2.926 -14.006 -8.326 1.00 15.00 C ATOM 0 H THR B 222 2.386 -10.951 -8.464 1.00 15.00 H new ATOM 0 HA THR B 222 1.082 -12.937 -6.885 1.00 15.00 H new ATOM 0 HB THR B 222 3.637 -13.395 -6.406 1.00 15.00 H new ATOM 0 HG1 THR B 222 4.060 -11.957 -8.805 1.00 15.00 H new ATOM 0 HG21 THR B 222 3.860 -14.495 -8.604 1.00 15.00 H new ATOM 0 HG22 THR B 222 2.241 -14.743 -7.907 1.00 15.00 H new ATOM 0 HG23 THR B 222 2.477 -13.554 -9.210 1.00 15.00 H new ATOM 592 N PRO B 223 2.178 -12.551 -4.424 1.00 15.00 N ATOM 593 CA PRO B 223 2.118 -12.163 -3.004 1.00 15.00 C ATOM 594 C PRO B 223 2.953 -10.922 -2.677 1.00 15.00 C ATOM 595 O PRO B 223 4.079 -10.769 -3.160 1.00 15.00 O ATOM 596 CB PRO B 223 2.679 -13.390 -2.259 1.00 15.00 C ATOM 597 CG PRO B 223 3.185 -14.319 -3.314 1.00 15.00 C ATOM 598 CD PRO B 223 2.415 -13.995 -4.557 1.00 15.00 C ATOM 0 HA PRO B 223 1.100 -11.896 -2.718 1.00 15.00 H new ATOM 0 HB2 PRO B 223 3.479 -13.100 -1.578 1.00 15.00 H new ATOM 0 HB3 PRO B 223 1.906 -13.868 -1.657 1.00 15.00 H new ATOM 0 HG2 PRO B 223 4.255 -14.184 -3.472 1.00 15.00 H new ATOM 0 HG3 PRO B 223 3.035 -15.359 -3.022 1.00 15.00 H new ATOM 0 HD2 PRO B 223 2.982 -14.231 -5.457 1.00 15.00 H new ATOM 0 HD3 PRO B 223 1.481 -14.555 -4.612 1.00 15.00 H new ATOM 606 N PRO B 224 2.408 -10.040 -1.816 1.00 15.00 N ATOM 607 CA PRO B 224 2.966 -8.703 -1.566 1.00 15.00 C ATOM 608 C PRO B 224 4.360 -8.715 -0.939 1.00 15.00 C ATOM 609 O PRO B 224 4.680 -9.560 -0.099 1.00 15.00 O ATOM 610 CB PRO B 224 1.958 -8.072 -0.603 1.00 15.00 C ATOM 611 CG PRO B 224 1.280 -9.219 0.052 1.00 15.00 C ATOM 612 CD PRO B 224 1.205 -10.287 -0.995 1.00 15.00 C ATOM 0 HA PRO B 224 3.102 -8.160 -2.501 1.00 15.00 H new ATOM 0 HB2 PRO B 224 2.457 -7.438 0.130 1.00 15.00 H new ATOM 0 HB3 PRO B 224 1.244 -7.443 -1.135 1.00 15.00 H new ATOM 0 HG2 PRO B 224 1.839 -9.561 0.923 1.00 15.00 H new ATOM 0 HG3 PRO B 224 0.286 -8.941 0.401 1.00 15.00 H new ATOM 0 HD2 PRO B 224 1.216 -11.284 -0.555 1.00 15.00 H new ATOM 0 HD3 PRO B 224 0.292 -10.209 -1.585 1.00 15.00 H new ATOM 620 N PRO B 225 5.195 -7.747 -1.346 1.00 15.00 N ATOM 621 CA PRO B 225 6.536 -7.541 -0.790 1.00 15.00 C ATOM 622 C PRO B 225 6.481 -6.981 0.629 1.00 15.00 C ATOM 623 O PRO B 225 5.398 -6.761 1.174 1.00 15.00 O ATOM 624 CB PRO B 225 7.168 -6.500 -1.730 1.00 15.00 C ATOM 625 CG PRO B 225 6.250 -6.393 -2.900 1.00 15.00 C ATOM 626 CD PRO B 225 4.892 -6.767 -2.396 1.00 15.00 C ATOM 0 HA PRO B 225 7.094 -8.475 -0.727 1.00 15.00 H new ATOM 0 HB2 PRO B 225 7.277 -5.538 -1.230 1.00 15.00 H new ATOM 0 HB3 PRO B 225 8.165 -6.811 -2.043 1.00 15.00 H new ATOM 0 HG2 PRO B 225 6.251 -5.381 -3.305 1.00 15.00 H new ATOM 0 HG3 PRO B 225 6.564 -7.058 -3.704 1.00 15.00 H new ATOM 0 HD2 PRO B 225 4.355 -5.904 -2.002 1.00 15.00 H new ATOM 0 HD3 PRO B 225 4.272 -7.196 -3.183 1.00 15.00 H new ATOM 634 N ALA B 226 7.646 -6.758 1.223 1.00 15.00 N ATOM 635 CA ALA B 226 7.729 -6.093 2.516 1.00 15.00 C ATOM 636 C ALA B 226 7.303 -4.636 2.374 1.00 15.00 C ATOM 637 O ALA B 226 7.250 -4.105 1.263 1.00 15.00 O ATOM 638 CB ALA B 226 9.141 -6.186 3.075 1.00 15.00 C ATOM 0 H ALA B 226 8.547 -7.028 0.829 1.00 15.00 H new ATOM 0 HA ALA B 226 7.056 -6.591 3.214 1.00 15.00 H new ATOM 0 HB1 ALA B 226 9.184 -5.684 4.041 1.00 15.00 H new ATOM 0 HB2 ALA B 226 9.415 -7.234 3.198 1.00 15.00 H new ATOM 0 HB3 ALA B 226 9.837 -5.707 2.386 1.00 15.00 H new ATOM 644 N TYR B 227 7.004 -3.979 3.485 1.00 15.00 N ATOM 645 CA TYR B 227 6.497 -2.622 3.417 1.00 15.00 C ATOM 646 C TYR B 227 7.631 -1.600 3.455 1.00 15.00 C ATOM 647 O TYR B 227 8.502 -1.623 4.330 1.00 15.00 O ATOM 648 CB TYR B 227 5.478 -2.341 4.534 1.00 15.00 C ATOM 649 CG TYR B 227 6.085 -1.908 5.851 1.00 15.00 C ATOM 650 CD1 TYR B 227 6.500 -2.825 6.808 1.00 15.00 C ATOM 651 CD2 TYR B 227 6.254 -0.561 6.122 1.00 15.00 C ATOM 652 CE1 TYR B 227 7.070 -2.399 7.996 1.00 15.00 C ATOM 653 CE2 TYR B 227 6.816 -0.126 7.297 1.00 15.00 C ATOM 654 CZ TYR B 227 7.227 -1.048 8.235 1.00 15.00 C ATOM 655 OH TYR B 227 7.799 -0.625 9.410 1.00 15.00 O ATOM 0 H TYR B 227 7.102 -4.357 4.427 1.00 15.00 H new ATOM 0 HA TYR B 227 5.983 -2.522 2.461 1.00 15.00 H new ATOM 0 HB2 TYR B 227 4.791 -1.566 4.194 1.00 15.00 H new ATOM 0 HB3 TYR B 227 4.886 -3.241 4.701 1.00 15.00 H new ATOM 0 HD1 TYR B 227 6.377 -3.882 6.624 1.00 15.00 H new ATOM 0 HD2 TYR B 227 5.936 0.167 5.390 1.00 15.00 H new ATOM 0 HE1 TYR B 227 7.391 -3.121 8.733 1.00 15.00 H new ATOM 0 HE2 TYR B 227 6.935 0.931 7.485 1.00 15.00 H new ATOM 0 HH TYR B 227 7.837 0.354 9.421 1.00 15.00 H new ATOM 665 N LEU B 228 7.616 -0.722 2.473 1.00 15.00 N ATOM 666 CA LEU B 228 8.500 0.431 2.429 1.00 15.00 C ATOM 667 C LEU B 228 7.643 1.655 2.153 1.00 15.00 C ATOM 668 O LEU B 228 6.580 1.517 1.575 1.00 15.00 O ATOM 669 CB LEU B 228 9.576 0.278 1.335 1.00 15.00 C ATOM 670 CG LEU B 228 10.574 -0.876 1.508 1.00 15.00 C ATOM 671 CD1 LEU B 228 9.975 -2.198 1.046 1.00 15.00 C ATOM 672 CD2 LEU B 228 11.853 -0.582 0.743 1.00 15.00 C ATOM 0 H LEU B 228 6.985 -0.787 1.674 1.00 15.00 H new ATOM 0 HA LEU B 228 9.024 0.527 3.380 1.00 15.00 H new ATOM 0 HB2 LEU B 228 9.072 0.152 0.377 1.00 15.00 H new ATOM 0 HB3 LEU B 228 10.139 1.210 1.278 1.00 15.00 H new ATOM 0 HG LEU B 228 10.806 -0.965 2.569 1.00 15.00 H new ATOM 0 HD11 LEU B 228 10.706 -2.995 1.181 1.00 15.00 H new ATOM 0 HD12 LEU B 228 9.084 -2.419 1.634 1.00 15.00 H new ATOM 0 HD13 LEU B 228 9.706 -2.127 -0.008 1.00 15.00 H new ATOM 0 HD21 LEU B 228 12.553 -1.407 0.873 1.00 15.00 H new ATOM 0 HD22 LEU B 228 11.624 -0.464 -0.316 1.00 15.00 H new ATOM 0 HD23 LEU B 228 12.301 0.337 1.122 1.00 15.00 H new ATOM 684 N PRO B 229 8.109 2.875 2.444 1.00 15.00 N ATOM 685 CA PRO B 229 7.232 4.045 2.402 1.00 15.00 C ATOM 686 C PRO B 229 7.167 4.677 1.015 1.00 15.00 C ATOM 687 O PRO B 229 8.083 4.540 0.204 1.00 15.00 O ATOM 688 CB PRO B 229 7.916 5.031 3.367 1.00 15.00 C ATOM 689 CG PRO B 229 9.062 4.296 3.983 1.00 15.00 C ATOM 690 CD PRO B 229 9.401 3.176 3.047 1.00 15.00 C ATOM 0 HA PRO B 229 6.206 3.784 2.662 1.00 15.00 H new ATOM 0 HB2 PRO B 229 8.264 5.916 2.835 1.00 15.00 H new ATOM 0 HB3 PRO B 229 7.218 5.373 4.132 1.00 15.00 H new ATOM 0 HG2 PRO B 229 9.917 4.957 4.122 1.00 15.00 H new ATOM 0 HG3 PRO B 229 8.793 3.912 4.967 1.00 15.00 H new ATOM 0 HD2 PRO B 229 10.137 3.477 2.302 1.00 15.00 H new ATOM 0 HD3 PRO B 229 9.814 2.316 3.574 1.00 15.00 H new ATOM 698 N PRO B 230 6.077 5.425 0.754 1.00 15.00 N ATOM 699 CA PRO B 230 5.482 5.503 -0.576 1.00 15.00 C ATOM 700 C PRO B 230 6.011 6.594 -1.495 1.00 15.00 C ATOM 701 O PRO B 230 6.382 7.690 -1.069 1.00 15.00 O ATOM 702 CB PRO B 230 4.028 5.790 -0.225 1.00 15.00 C ATOM 703 CG PRO B 230 4.097 6.680 0.966 1.00 15.00 C ATOM 704 CD PRO B 230 5.333 6.274 1.723 1.00 15.00 C ATOM 0 HA PRO B 230 5.693 4.599 -1.147 1.00 15.00 H new ATOM 0 HB2 PRO B 230 3.509 6.274 -1.052 1.00 15.00 H new ATOM 0 HB3 PRO B 230 3.485 4.871 -0.002 1.00 15.00 H new ATOM 0 HG2 PRO B 230 4.150 7.727 0.667 1.00 15.00 H new ATOM 0 HG3 PRO B 230 3.207 6.570 1.586 1.00 15.00 H new ATOM 0 HD2 PRO B 230 5.919 7.141 2.028 1.00 15.00 H new ATOM 0 HD3 PRO B 230 5.084 5.723 2.630 1.00 15.00 H new ATOM 712 N GLU B 231 6.027 6.251 -2.776 1.00 15.00 N ATOM 713 CA GLU B 231 6.266 7.192 -3.850 1.00 15.00 C ATOM 714 C GLU B 231 4.944 7.410 -4.602 1.00 15.00 C ATOM 715 O GLU B 231 4.339 6.444 -5.064 1.00 15.00 O ATOM 716 CB GLU B 231 7.348 6.649 -4.795 1.00 15.00 C ATOM 717 CG GLU B 231 7.118 5.210 -5.251 1.00 15.00 C ATOM 718 CD GLU B 231 8.256 4.678 -6.097 1.00 15.00 C ATOM 719 OE1 GLU B 231 9.234 4.166 -5.516 1.00 15.00 O1- ATOM 720 OE2 GLU B 231 8.178 4.763 -7.339 1.00 15.00 O ATOM 0 H GLU B 231 5.871 5.296 -3.098 1.00 15.00 H new ATOM 0 HA GLU B 231 6.620 8.142 -3.450 1.00 15.00 H new ATOM 0 HB2 GLU B 231 7.403 7.292 -5.673 1.00 15.00 H new ATOM 0 HB3 GLU B 231 8.315 6.709 -4.295 1.00 15.00 H new ATOM 0 HG2 GLU B 231 6.991 4.572 -4.377 1.00 15.00 H new ATOM 0 HG3 GLU B 231 6.191 5.157 -5.821 1.00 15.00 H new ATOM 727 N ASP B 232 4.469 8.651 -4.697 1.00 15.00 N ATOM 728 CA ASP B 232 3.173 8.915 -5.314 1.00 15.00 C ATOM 729 C ASP B 232 3.159 10.292 -5.963 1.00 15.00 C ATOM 730 O ASP B 232 3.526 11.287 -5.331 1.00 15.00 O ATOM 731 CB ASP B 232 2.054 8.795 -4.270 1.00 15.00 C ATOM 732 CG ASP B 232 0.693 9.199 -4.812 1.00 15.00 C ATOM 733 OD1 ASP B 232 0.173 8.506 -5.713 1.00 15.00 O1- ATOM 734 OD2 ASP B 232 0.138 10.216 -4.341 1.00 15.00 O ATOM 0 H ASP B 232 4.957 9.480 -4.358 1.00 15.00 H new ATOM 0 HA ASP B 232 3.001 8.172 -6.093 1.00 15.00 H new ATOM 0 HB2 ASP B 232 2.006 7.766 -3.913 1.00 15.00 H new ATOM 0 HB3 ASP B 232 2.297 9.420 -3.411 1.00 15.00 H new ATOM 739 N PRO B 233 2.755 10.357 -7.244 1.00 15.00 N ATOM 740 CA PRO B 233 2.659 11.613 -7.998 1.00 15.00 C ATOM 741 C PRO B 233 1.730 12.621 -7.330 1.00 15.00 C ATOM 742 O PRO B 233 2.180 13.617 -6.763 1.00 15.00 O ATOM 743 CB PRO B 233 2.093 11.182 -9.355 1.00 15.00 C ATOM 744 CG PRO B 233 2.414 9.733 -9.466 1.00 15.00 C ATOM 745 CD PRO B 233 2.371 9.195 -8.065 1.00 15.00 C ATOM 0 HA PRO B 233 3.624 12.116 -8.068 1.00 15.00 H new ATOM 0 HB2 PRO B 233 1.018 11.353 -9.406 1.00 15.00 H new ATOM 0 HB3 PRO B 233 2.545 11.749 -10.169 1.00 15.00 H new ATOM 0 HG2 PRO B 233 1.693 9.221 -10.104 1.00 15.00 H new ATOM 0 HG3 PRO B 233 3.397 9.584 -9.912 1.00 15.00 H new ATOM 0 HD2 PRO B 233 1.378 8.829 -7.805 1.00 15.00 H new ATOM 0 HD3 PRO B 233 3.062 8.363 -7.932 1.00 15.00 H new HETATM 753 N NH2 B 234 0.431 12.367 -7.407 1.00 15.00 N TER 756 NH2 B 234