USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 484 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -22:sc= 0.305 USER MOD Single : A 8 GLN : amide:sc= -0.19 K(o=-0.19,f=-2.3!) USER MOD Single : A 17 GLN : amide:sc= -0.251 K(o=-0.25,f=-3.2!) USER MOD Single : A 22 ASN : amide:sc= -1.75 K(o=-1.7,f=-2.5!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0352 K(o=-0.035,f=-0.79) USER MOD Single : B 4 TYR OH : rot 180:sc= 0 USER MOD Single : B 6 THR OG1 : rot -22:sc= 0.0325! USER MOD Single : B 8 GLN : amide:sc= -0.119 K(o=-0.12,f=-2.4!) USER MOD Single : B 17 GLN : amide:sc= -0.28 K(o=-0.28,f=-3.2!) USER MOD Single : B 22 ASN : amide:sc= -1.77 K(o=-1.8,f=-2.4!) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 GLN : amide:sc= -0.0141 K(o=-0.014,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 4 13.678 1.528 -1.048 1.00 0.00 N ATOM 38 CA TYR A 4 15.118 1.136 -1.049 1.00 0.00 C ATOM 39 C TYR A 4 16.001 2.363 -1.291 1.00 0.00 C ATOM 40 O TYR A 4 15.530 3.410 -1.687 1.00 0.00 O ATOM 41 CB TYR A 4 15.257 0.139 -2.200 1.00 0.00 C ATOM 42 CG TYR A 4 15.160 0.871 -3.517 1.00 0.00 C ATOM 43 CD1 TYR A 4 16.309 1.421 -4.099 1.00 0.00 C ATOM 44 CD2 TYR A 4 13.921 1.002 -4.156 1.00 0.00 C ATOM 45 CE1 TYR A 4 16.219 2.101 -5.320 1.00 0.00 C ATOM 46 CE2 TYR A 4 13.831 1.682 -5.376 1.00 0.00 C ATOM 47 CZ TYR A 4 14.979 2.232 -5.958 1.00 0.00 C ATOM 48 OH TYR A 4 14.890 2.903 -7.161 1.00 0.00 O ATOM 0 HA TYR A 4 15.429 0.705 -0.097 1.00 0.00 H new ATOM 0 HB2 TYR A 4 16.212 -0.381 -2.131 1.00 0.00 H new ATOM 0 HB3 TYR A 4 14.476 -0.619 -2.135 1.00 0.00 H new ATOM 0 HD1 TYR A 4 17.265 1.321 -3.606 1.00 0.00 H new ATOM 0 HD2 TYR A 4 13.035 0.578 -3.707 1.00 0.00 H new ATOM 0 HE1 TYR A 4 17.105 2.524 -5.769 1.00 0.00 H new ATOM 0 HE2 TYR A 4 12.875 1.782 -5.869 1.00 0.00 H new ATOM 0 HH TYR A 4 13.959 2.902 -7.468 1.00 0.00 H new ATOM 58 N PHE A 5 17.279 2.240 -1.056 1.00 0.00 N ATOM 59 CA PHE A 5 18.190 3.400 -1.273 1.00 0.00 C ATOM 60 C PHE A 5 19.242 3.057 -2.331 1.00 0.00 C ATOM 61 O PHE A 5 19.209 2.003 -2.935 1.00 0.00 O ATOM 62 CB PHE A 5 18.855 3.642 0.082 1.00 0.00 C ATOM 63 CG PHE A 5 17.795 3.773 1.149 1.00 0.00 C ATOM 64 CD1 PHE A 5 17.226 5.023 1.419 1.00 0.00 C ATOM 65 CD2 PHE A 5 17.381 2.645 1.866 1.00 0.00 C ATOM 66 CE1 PHE A 5 16.242 5.144 2.409 1.00 0.00 C ATOM 67 CE2 PHE A 5 16.398 2.766 2.856 1.00 0.00 C ATOM 68 CZ PHE A 5 15.828 4.016 3.127 1.00 0.00 C ATOM 0 H PHE A 5 17.731 1.388 -0.724 1.00 0.00 H new ATOM 0 HA PHE A 5 17.656 4.281 -1.629 1.00 0.00 H new ATOM 0 HB2 PHE A 5 19.527 2.818 0.321 1.00 0.00 H new ATOM 0 HB3 PHE A 5 19.462 4.547 0.045 1.00 0.00 H new ATOM 0 HD1 PHE A 5 17.545 5.893 0.865 1.00 0.00 H new ATOM 0 HD2 PHE A 5 17.820 1.681 1.656 1.00 0.00 H new ATOM 0 HE1 PHE A 5 15.803 6.108 2.618 1.00 0.00 H new ATOM 0 HE2 PHE A 5 16.080 1.896 3.410 1.00 0.00 H new ATOM 0 HZ PHE A 5 15.069 4.110 3.890 1.00 0.00 H new ATOM 78 N THR A 6 20.176 3.939 -2.557 1.00 0.00 N ATOM 79 CA THR A 6 21.233 3.665 -3.574 1.00 0.00 C ATOM 80 C THR A 6 22.473 4.514 -3.284 1.00 0.00 C ATOM 81 O THR A 6 22.387 5.573 -2.694 1.00 0.00 O ATOM 82 CB THR A 6 20.611 4.064 -4.913 1.00 0.00 C ATOM 83 OG1 THR A 6 19.392 3.356 -5.096 1.00 0.00 O ATOM 84 CG2 THR A 6 21.578 3.722 -6.047 1.00 0.00 C ATOM 0 H THR A 6 20.254 4.838 -2.082 1.00 0.00 H new ATOM 0 HA THR A 6 21.551 2.622 -3.569 1.00 0.00 H new ATOM 0 HB THR A 6 20.413 5.136 -4.919 1.00 0.00 H new ATOM 0 HG1 THR A 6 19.399 2.545 -4.545 1.00 0.00 H new ATOM 0 HG21 THR A 6 21.135 4.006 -7.001 1.00 0.00 H new ATOM 0 HG22 THR A 6 22.512 4.265 -5.905 1.00 0.00 H new ATOM 0 HG23 THR A 6 21.777 2.650 -6.044 1.00 0.00 H new ATOM 92 N LEU A 7 23.626 4.058 -3.692 1.00 0.00 N ATOM 93 CA LEU A 7 24.868 4.842 -3.436 1.00 0.00 C ATOM 94 C LEU A 7 25.821 4.729 -4.630 1.00 0.00 C ATOM 95 O LEU A 7 25.770 3.783 -5.390 1.00 0.00 O ATOM 96 CB LEU A 7 25.489 4.205 -2.193 1.00 0.00 C ATOM 97 CG LEU A 7 25.224 5.094 -0.977 1.00 0.00 C ATOM 98 CD1 LEU A 7 25.201 4.236 0.289 1.00 0.00 C ATOM 99 CD2 LEU A 7 26.334 6.141 -0.861 1.00 0.00 C ATOM 0 H LEU A 7 23.762 3.178 -4.190 1.00 0.00 H new ATOM 0 HA LEU A 7 24.664 5.903 -3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 7 25.067 3.213 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 7 26.562 4.076 -2.335 1.00 0.00 H new ATOM 0 HG LEU A 7 24.262 5.593 -1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 7 25.012 4.870 1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 7 24.412 3.489 0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 7 26.163 3.737 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 7 26.147 6.776 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 7 27.295 5.641 -0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 7 26.352 6.754 -1.762 1.00 0.00 H new ATOM 111 N GLN A 8 26.690 5.688 -4.798 1.00 0.00 N ATOM 112 CA GLN A 8 27.645 5.636 -5.941 1.00 0.00 C ATOM 113 C GLN A 8 29.085 5.593 -5.423 1.00 0.00 C ATOM 114 O GLN A 8 29.431 6.260 -4.468 1.00 0.00 O ATOM 115 CB GLN A 8 27.396 6.925 -6.725 1.00 0.00 C ATOM 116 CG GLN A 8 25.898 7.081 -6.990 1.00 0.00 C ATOM 117 CD GLN A 8 25.683 8.028 -8.172 1.00 0.00 C ATOM 118 OE1 GLN A 8 26.546 8.170 -9.015 1.00 0.00 O ATOM 119 NE2 GLN A 8 24.560 8.685 -8.271 1.00 0.00 N ATOM 0 H GLN A 8 26.780 6.505 -4.194 1.00 0.00 H new ATOM 0 HA GLN A 8 27.502 4.750 -6.559 1.00 0.00 H new ATOM 0 HB2 GLN A 8 27.768 7.782 -6.163 1.00 0.00 H new ATOM 0 HB3 GLN A 8 27.942 6.901 -7.668 1.00 0.00 H new ATOM 0 HG2 GLN A 8 25.453 6.109 -7.204 1.00 0.00 H new ATOM 0 HG3 GLN A 8 25.400 7.472 -6.103 1.00 0.00 H new ATOM 0 HE21 GLN A 8 23.835 8.566 -7.563 1.00 0.00 H new ATOM 0 HE22 GLN A 8 24.407 9.318 -9.056 1.00 0.00 H new ATOM 128 N ILE A 9 29.924 4.811 -6.042 1.00 0.00 N ATOM 129 CA ILE A 9 31.339 4.723 -5.582 1.00 0.00 C ATOM 130 C ILE A 9 32.291 5.128 -6.711 1.00 0.00 C ATOM 131 O ILE A 9 31.895 5.258 -7.852 1.00 0.00 O ATOM 132 CB ILE A 9 31.540 3.255 -5.208 1.00 0.00 C ATOM 133 CG1 ILE A 9 30.380 2.796 -4.321 1.00 0.00 C ATOM 134 CG2 ILE A 9 32.857 3.096 -4.447 1.00 0.00 C ATOM 135 CD1 ILE A 9 30.481 3.478 -2.956 1.00 0.00 C ATOM 0 H ILE A 9 29.692 4.229 -6.847 1.00 0.00 H new ATOM 0 HA ILE A 9 31.544 5.389 -4.744 1.00 0.00 H new ATOM 0 HB ILE A 9 31.571 2.649 -6.114 1.00 0.00 H new ATOM 0 HG12 ILE A 9 29.428 3.041 -4.793 1.00 0.00 H new ATOM 0 HG13 ILE A 9 30.406 1.713 -4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 9 32.999 2.049 -4.181 1.00 0.00 H new ATOM 0 HG22 ILE A 9 33.683 3.426 -5.077 1.00 0.00 H new ATOM 0 HG23 ILE A 9 32.828 3.700 -3.540 1.00 0.00 H new ATOM 0 HD11 ILE A 9 29.655 3.151 -2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 9 31.427 3.210 -2.485 1.00 0.00 H new ATOM 0 HD13 ILE A 9 30.433 4.559 -3.085 1.00 0.00 H new ATOM 147 N ARG A 10 33.542 5.329 -6.401 1.00 0.00 N ATOM 148 CA ARG A 10 34.517 5.727 -7.457 1.00 0.00 C ATOM 149 C ARG A 10 35.912 5.193 -7.121 1.00 0.00 C ATOM 150 O ARG A 10 36.914 5.779 -7.479 1.00 0.00 O ATOM 151 CB ARG A 10 34.511 7.256 -7.443 1.00 0.00 C ATOM 152 CG ARG A 10 35.097 7.758 -6.122 1.00 0.00 C ATOM 153 CD ARG A 10 34.617 9.187 -5.859 1.00 0.00 C ATOM 154 NE ARG A 10 35.845 10.025 -5.931 1.00 0.00 N ATOM 155 CZ ARG A 10 35.778 11.304 -5.683 1.00 0.00 C ATOM 156 NH1 ARG A 10 35.373 12.127 -6.610 1.00 0.00 N ATOM 157 NH2 ARG A 10 36.116 11.759 -4.507 1.00 0.00 N ATOM 0 H ARG A 10 33.932 5.235 -5.463 1.00 0.00 H new ATOM 0 HA ARG A 10 34.252 5.326 -8.435 1.00 0.00 H new ATOM 0 HB2 ARG A 10 35.094 7.640 -8.280 1.00 0.00 H new ATOM 0 HB3 ARG A 10 33.494 7.627 -7.566 1.00 0.00 H new ATOM 0 HG2 ARG A 10 34.791 7.105 -5.305 1.00 0.00 H new ATOM 0 HG3 ARG A 10 36.186 7.731 -6.162 1.00 0.00 H new ATOM 0 HD2 ARG A 10 33.882 9.499 -6.601 1.00 0.00 H new ATOM 0 HD3 ARG A 10 34.139 9.270 -4.883 1.00 0.00 H new ATOM 0 HE ARG A 10 36.739 9.599 -6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 10 35.109 11.771 -7.528 1.00 0.00 H new ATOM 0 HH12 ARG A 10 35.320 13.127 -6.417 1.00 0.00 H new ATOM 0 HH21 ARG A 10 36.432 11.115 -3.782 1.00 0.00 H new ATOM 0 HH22 ARG A 10 36.064 12.759 -4.313 1.00 0.00 H new ATOM 171 N GLY A 11 35.984 4.085 -6.436 1.00 0.00 N ATOM 172 CA GLY A 11 37.315 3.516 -6.078 1.00 0.00 C ATOM 173 C GLY A 11 37.173 2.021 -5.787 1.00 0.00 C ATOM 174 O GLY A 11 36.520 1.622 -4.843 1.00 0.00 O ATOM 0 H GLY A 11 35.180 3.549 -6.109 1.00 0.00 H new ATOM 0 HA2 GLY A 11 38.020 3.672 -6.894 1.00 0.00 H new ATOM 0 HA3 GLY A 11 37.719 4.030 -5.206 1.00 0.00 H new ATOM 178 N ARG A 12 37.779 1.191 -6.591 1.00 0.00 N ATOM 179 CA ARG A 12 37.678 -0.278 -6.358 1.00 0.00 C ATOM 180 C ARG A 12 38.298 -0.643 -5.007 1.00 0.00 C ATOM 181 O ARG A 12 37.893 -1.589 -4.362 1.00 0.00 O ATOM 182 CB ARG A 12 38.471 -0.915 -7.501 1.00 0.00 C ATOM 183 CG ARG A 12 37.781 -2.207 -7.943 1.00 0.00 C ATOM 184 CD ARG A 12 38.121 -2.493 -9.407 1.00 0.00 C ATOM 185 NE ARG A 12 39.549 -2.914 -9.395 1.00 0.00 N ATOM 186 CZ ARG A 12 40.158 -3.188 -10.516 1.00 0.00 C ATOM 187 NH1 ARG A 12 39.523 -3.816 -11.467 1.00 0.00 N ATOM 188 NH2 ARG A 12 41.403 -2.833 -10.687 1.00 0.00 N ATOM 0 H ARG A 12 38.339 1.466 -7.398 1.00 0.00 H new ATOM 0 HA ARG A 12 36.644 -0.623 -6.336 1.00 0.00 H new ATOM 0 HB2 ARG A 12 38.541 -0.222 -8.340 1.00 0.00 H new ATOM 0 HB3 ARG A 12 39.490 -1.127 -7.177 1.00 0.00 H new ATOM 0 HG2 ARG A 12 38.104 -3.037 -7.315 1.00 0.00 H new ATOM 0 HG3 ARG A 12 36.702 -2.116 -7.821 1.00 0.00 H new ATOM 0 HD2 ARG A 12 37.482 -3.276 -9.815 1.00 0.00 H new ATOM 0 HD3 ARG A 12 37.976 -1.608 -10.026 1.00 0.00 H new ATOM 0 HE ARG A 12 40.051 -2.988 -8.510 1.00 0.00 H new ATOM 0 HH11 ARG A 12 38.550 -4.093 -11.334 1.00 0.00 H new ATOM 0 HH12 ARG A 12 39.999 -4.030 -12.343 1.00 0.00 H new ATOM 0 HH21 ARG A 12 41.900 -2.341 -9.944 1.00 0.00 H new ATOM 0 HH22 ARG A 12 41.879 -3.047 -11.563 1.00 0.00 H new ATOM 202 N GLU A 13 39.279 0.101 -4.574 1.00 0.00 N ATOM 203 CA GLU A 13 39.927 -0.202 -3.265 1.00 0.00 C ATOM 204 C GLU A 13 38.889 -0.174 -2.139 1.00 0.00 C ATOM 205 O GLU A 13 38.733 -1.127 -1.402 1.00 0.00 O ATOM 206 CB GLU A 13 40.960 0.908 -3.070 1.00 0.00 C ATOM 207 CG GLU A 13 41.995 0.845 -4.194 1.00 0.00 C ATOM 208 CD GLU A 13 41.694 1.932 -5.228 1.00 0.00 C ATOM 209 OE1 GLU A 13 41.139 2.949 -4.845 1.00 0.00 O ATOM 210 OE2 GLU A 13 42.024 1.728 -6.385 1.00 0.00 O ATOM 0 H GLU A 13 39.660 0.906 -5.070 1.00 0.00 H new ATOM 0 HA GLU A 13 40.383 -1.192 -3.250 1.00 0.00 H new ATOM 0 HB2 GLU A 13 40.468 1.881 -3.068 1.00 0.00 H new ATOM 0 HB3 GLU A 13 41.451 0.797 -2.103 1.00 0.00 H new ATOM 0 HG2 GLU A 13 42.997 0.982 -3.788 1.00 0.00 H new ATOM 0 HG3 GLU A 13 41.975 -0.137 -4.667 1.00 0.00 H new ATOM 217 N ARG A 14 38.174 0.909 -2.004 1.00 0.00 N ATOM 218 CA ARG A 14 37.145 0.997 -0.933 1.00 0.00 C ATOM 219 C ARG A 14 35.858 0.322 -1.405 1.00 0.00 C ATOM 220 O ARG A 14 35.137 -0.283 -0.633 1.00 0.00 O ATOM 221 CB ARG A 14 36.922 2.494 -0.715 1.00 0.00 C ATOM 222 CG ARG A 14 36.326 3.113 -1.981 1.00 0.00 C ATOM 223 CD ARG A 14 35.967 4.577 -1.713 1.00 0.00 C ATOM 224 NE ARG A 14 36.158 5.264 -3.020 1.00 0.00 N ATOM 225 CZ ARG A 14 35.721 6.483 -3.186 1.00 0.00 C ATOM 226 NH1 ARG A 14 34.485 6.779 -2.888 1.00 0.00 N ATOM 227 NH2 ARG A 14 36.519 7.405 -3.651 1.00 0.00 N ATOM 0 H ARG A 14 38.259 1.738 -2.592 1.00 0.00 H new ATOM 0 HA ARG A 14 37.453 0.501 -0.013 1.00 0.00 H new ATOM 0 HB2 ARG A 14 36.252 2.653 0.130 1.00 0.00 H new ATOM 0 HB3 ARG A 14 37.866 2.981 -0.469 1.00 0.00 H new ATOM 0 HG2 ARG A 14 37.040 3.047 -2.802 1.00 0.00 H new ATOM 0 HG3 ARG A 14 35.438 2.560 -2.286 1.00 0.00 H new ATOM 0 HD2 ARG A 14 34.940 4.674 -1.362 1.00 0.00 H new ATOM 0 HD3 ARG A 14 36.608 5.007 -0.943 1.00 0.00 H new ATOM 0 HE ARG A 14 36.630 4.783 -3.785 1.00 0.00 H new ATOM 0 HH11 ARG A 14 33.861 6.058 -2.526 1.00 0.00 H new ATOM 0 HH12 ARG A 14 34.143 7.731 -3.018 1.00 0.00 H new ATOM 0 HH21 ARG A 14 37.484 7.173 -3.885 1.00 0.00 H new ATOM 0 HH22 ARG A 14 36.177 8.357 -3.781 1.00 0.00 H new ATOM 241 N PHE A 15 35.566 0.416 -2.674 1.00 0.00 N ATOM 242 CA PHE A 15 34.331 -0.224 -3.197 1.00 0.00 C ATOM 243 C PHE A 15 34.325 -1.708 -2.830 1.00 0.00 C ATOM 244 O PHE A 15 33.403 -2.201 -2.211 1.00 0.00 O ATOM 245 CB PHE A 15 34.394 -0.048 -4.714 1.00 0.00 C ATOM 246 CG PHE A 15 33.250 -0.803 -5.346 1.00 0.00 C ATOM 247 CD1 PHE A 15 31.973 -0.231 -5.384 1.00 0.00 C ATOM 248 CD2 PHE A 15 33.464 -2.076 -5.886 1.00 0.00 C ATOM 249 CE1 PHE A 15 30.909 -0.933 -5.963 1.00 0.00 C ATOM 250 CE2 PHE A 15 32.399 -2.779 -6.463 1.00 0.00 C ATOM 251 CZ PHE A 15 31.122 -2.207 -6.502 1.00 0.00 C ATOM 0 H PHE A 15 36.129 0.908 -3.368 1.00 0.00 H new ATOM 0 HA PHE A 15 33.426 0.219 -2.780 1.00 0.00 H new ATOM 0 HB2 PHE A 15 34.335 1.009 -4.973 1.00 0.00 H new ATOM 0 HB3 PHE A 15 35.345 -0.418 -5.096 1.00 0.00 H new ATOM 0 HD1 PHE A 15 31.809 0.752 -4.967 1.00 0.00 H new ATOM 0 HD2 PHE A 15 34.450 -2.516 -5.858 1.00 0.00 H new ATOM 0 HE1 PHE A 15 29.924 -0.491 -5.994 1.00 0.00 H new ATOM 0 HE2 PHE A 15 32.563 -3.763 -6.878 1.00 0.00 H new ATOM 0 HZ PHE A 15 30.301 -2.749 -6.948 1.00 0.00 H new ATOM 261 N GLU A 16 35.353 -2.421 -3.201 1.00 0.00 N ATOM 262 CA GLU A 16 35.411 -3.871 -2.866 1.00 0.00 C ATOM 263 C GLU A 16 34.964 -4.083 -1.419 1.00 0.00 C ATOM 264 O GLU A 16 34.334 -5.069 -1.091 1.00 0.00 O ATOM 265 CB GLU A 16 36.879 -4.261 -3.038 1.00 0.00 C ATOM 266 CG GLU A 16 37.139 -4.636 -4.498 1.00 0.00 C ATOM 267 CD GLU A 16 36.391 -5.926 -4.836 1.00 0.00 C ATOM 268 OE1 GLU A 16 35.755 -6.469 -3.948 1.00 0.00 O ATOM 269 OE2 GLU A 16 36.466 -6.350 -5.978 1.00 0.00 O ATOM 0 H GLU A 16 36.154 -2.062 -3.721 1.00 0.00 H new ATOM 0 HA GLU A 16 34.758 -4.473 -3.498 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.523 -3.433 -2.744 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.122 -5.101 -2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.811 -3.830 -5.155 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.208 -4.769 -4.665 1.00 0.00 H new ATOM 276 N GLN A 17 35.282 -3.160 -0.551 1.00 0.00 N ATOM 277 CA GLN A 17 34.867 -3.309 0.873 1.00 0.00 C ATOM 278 C GLN A 17 33.344 -3.202 0.986 1.00 0.00 C ATOM 279 O GLN A 17 32.709 -3.961 1.692 1.00 0.00 O ATOM 280 CB GLN A 17 35.545 -2.152 1.609 1.00 0.00 C ATOM 281 CG GLN A 17 37.052 -2.195 1.347 1.00 0.00 C ATOM 282 CD GLN A 17 37.798 -1.658 2.569 1.00 0.00 C ATOM 283 OE1 GLN A 17 37.220 -1.494 3.626 1.00 0.00 O ATOM 284 NE2 GLN A 17 39.068 -1.374 2.470 1.00 0.00 N ATOM 0 H GLN A 17 35.809 -2.313 -0.765 1.00 0.00 H new ATOM 0 HA GLN A 17 35.152 -4.275 1.290 1.00 0.00 H new ATOM 0 HB2 GLN A 17 35.133 -1.201 1.271 1.00 0.00 H new ATOM 0 HB3 GLN A 17 35.349 -2.223 2.679 1.00 0.00 H new ATOM 0 HG2 GLN A 17 37.366 -3.217 1.136 1.00 0.00 H new ATOM 0 HG3 GLN A 17 37.296 -1.599 0.468 1.00 0.00 H new ATOM 0 HE21 GLN A 17 39.554 -1.511 1.584 1.00 0.00 H new ATOM 0 HE22 GLN A 17 39.575 -1.015 3.279 1.00 0.00 H new ATOM 293 N PHE A 18 32.754 -2.268 0.292 1.00 0.00 N ATOM 294 CA PHE A 18 31.270 -2.116 0.355 1.00 0.00 C ATOM 295 C PHE A 18 30.592 -3.228 -0.451 1.00 0.00 C ATOM 296 O PHE A 18 29.754 -3.947 0.054 1.00 0.00 O ATOM 297 CB PHE A 18 30.986 -0.749 -0.265 1.00 0.00 C ATOM 298 CG PHE A 18 31.506 0.328 0.655 1.00 0.00 C ATOM 299 CD1 PHE A 18 31.273 0.241 2.032 1.00 0.00 C ATOM 300 CD2 PHE A 18 32.224 1.411 0.134 1.00 0.00 C ATOM 301 CE1 PHE A 18 31.756 1.235 2.889 1.00 0.00 C ATOM 302 CE2 PHE A 18 32.708 2.407 0.991 1.00 0.00 C ATOM 303 CZ PHE A 18 32.474 2.319 2.369 1.00 0.00 C ATOM 0 H PHE A 18 33.233 -1.604 -0.316 1.00 0.00 H new ATOM 0 HA PHE A 18 30.888 -2.186 1.373 1.00 0.00 H new ATOM 0 HB2 PHE A 18 31.464 -0.672 -1.242 1.00 0.00 H new ATOM 0 HB3 PHE A 18 29.915 -0.623 -0.424 1.00 0.00 H new ATOM 0 HD1 PHE A 18 30.719 -0.595 2.434 1.00 0.00 H new ATOM 0 HD2 PHE A 18 32.405 1.478 -0.929 1.00 0.00 H new ATOM 0 HE1 PHE A 18 31.575 1.167 3.952 1.00 0.00 H new ATOM 0 HE2 PHE A 18 33.262 3.243 0.589 1.00 0.00 H new ATOM 0 HZ PHE A 18 32.847 3.087 3.030 1.00 0.00 H new ATOM 313 N ARG A 19 30.948 -3.377 -1.698 1.00 0.00 N ATOM 314 CA ARG A 19 30.321 -4.447 -2.526 1.00 0.00 C ATOM 315 C ARG A 19 30.260 -5.758 -1.736 1.00 0.00 C ATOM 316 O ARG A 19 29.197 -6.273 -1.450 1.00 0.00 O ATOM 317 CB ARG A 19 31.237 -4.595 -3.742 1.00 0.00 C ATOM 318 CG ARG A 19 30.781 -5.787 -4.585 1.00 0.00 C ATOM 319 CD ARG A 19 31.720 -5.956 -5.781 1.00 0.00 C ATOM 320 NE ARG A 19 31.495 -7.350 -6.254 1.00 0.00 N ATOM 321 CZ ARG A 19 32.267 -7.859 -7.174 1.00 0.00 C ATOM 322 NH1 ARG A 19 32.126 -7.496 -8.420 1.00 0.00 N ATOM 323 NH2 ARG A 19 33.180 -8.734 -6.850 1.00 0.00 N ATOM 0 H ARG A 19 31.644 -2.806 -2.178 1.00 0.00 H new ATOM 0 HA ARG A 19 29.299 -4.202 -2.814 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.215 -3.684 -4.340 1.00 0.00 H new ATOM 0 HB3 ARG A 19 32.268 -4.739 -3.418 1.00 0.00 H new ATOM 0 HG2 ARG A 19 30.779 -6.694 -3.980 1.00 0.00 H new ATOM 0 HG3 ARG A 19 29.759 -5.632 -4.931 1.00 0.00 H new ATOM 0 HD2 ARG A 19 31.495 -5.232 -6.565 1.00 0.00 H new ATOM 0 HD3 ARG A 19 32.759 -5.800 -5.492 1.00 0.00 H new ATOM 0 HE ARG A 19 30.737 -7.907 -5.859 1.00 0.00 H new ATOM 0 HH11 ARG A 19 31.412 -6.814 -8.675 1.00 0.00 H new ATOM 0 HH12 ARG A 19 32.730 -7.894 -9.139 1.00 0.00 H new ATOM 0 HH21 ARG A 19 33.290 -9.020 -5.877 1.00 0.00 H new ATOM 0 HH22 ARG A 19 33.783 -9.132 -7.570 1.00 0.00 H new ATOM 337 N GLU A 20 31.393 -6.302 -1.380 1.00 0.00 N ATOM 338 CA GLU A 20 31.396 -7.577 -0.609 1.00 0.00 C ATOM 339 C GLU A 20 30.501 -7.446 0.626 1.00 0.00 C ATOM 340 O GLU A 20 29.697 -8.310 0.914 1.00 0.00 O ATOM 341 CB GLU A 20 32.852 -7.793 -0.197 1.00 0.00 C ATOM 342 CG GLU A 20 33.016 -9.202 0.378 1.00 0.00 C ATOM 343 CD GLU A 20 34.355 -9.303 1.111 1.00 0.00 C ATOM 344 OE1 GLU A 20 35.038 -8.295 1.197 1.00 0.00 O ATOM 345 OE2 GLU A 20 34.674 -10.385 1.574 1.00 0.00 O ATOM 0 H GLU A 20 32.315 -5.919 -1.590 1.00 0.00 H new ATOM 0 HA GLU A 20 31.013 -8.414 -1.193 1.00 0.00 H new ATOM 0 HB2 GLU A 20 33.508 -7.661 -1.057 1.00 0.00 H new ATOM 0 HB3 GLU A 20 33.145 -7.050 0.544 1.00 0.00 H new ATOM 0 HG2 GLU A 20 32.197 -9.424 1.062 1.00 0.00 H new ATOM 0 HG3 GLU A 20 32.971 -9.940 -0.423 1.00 0.00 H new ATOM 352 N ARG A 21 30.631 -6.372 1.357 1.00 0.00 N ATOM 353 CA ARG A 21 29.780 -6.196 2.568 1.00 0.00 C ATOM 354 C ARG A 21 28.313 -6.051 2.158 1.00 0.00 C ATOM 355 O ARG A 21 27.432 -6.631 2.762 1.00 0.00 O ATOM 356 CB ARG A 21 30.282 -4.915 3.233 1.00 0.00 C ATOM 357 CG ARG A 21 31.626 -5.184 3.912 1.00 0.00 C ATOM 358 CD ARG A 21 31.399 -5.461 5.400 1.00 0.00 C ATOM 359 NE ARG A 21 32.723 -5.234 6.041 1.00 0.00 N ATOM 360 CZ ARG A 21 32.898 -5.529 7.300 1.00 0.00 C ATOM 361 NH1 ARG A 21 32.391 -6.628 7.789 1.00 0.00 N ATOM 362 NH2 ARG A 21 33.579 -4.726 8.071 1.00 0.00 N ATOM 0 H ARG A 21 31.286 -5.613 1.169 1.00 0.00 H new ATOM 0 HA ARG A 21 29.842 -7.049 3.244 1.00 0.00 H new ATOM 0 HB2 ARG A 21 30.390 -4.125 2.490 1.00 0.00 H new ATOM 0 HB3 ARG A 21 29.556 -4.565 3.967 1.00 0.00 H new ATOM 0 HG2 ARG A 21 32.118 -6.036 3.443 1.00 0.00 H new ATOM 0 HG3 ARG A 21 32.287 -4.326 3.787 1.00 0.00 H new ATOM 0 HD2 ARG A 21 30.641 -4.796 5.814 1.00 0.00 H new ATOM 0 HD3 ARG A 21 31.051 -6.481 5.563 1.00 0.00 H new ATOM 0 HE ARG A 21 33.494 -4.848 5.496 1.00 0.00 H new ATOM 0 HH11 ARG A 21 31.858 -7.256 7.187 1.00 0.00 H new ATOM 0 HH12 ARG A 21 32.528 -6.859 8.773 1.00 0.00 H new ATOM 0 HH21 ARG A 21 33.975 -3.867 7.690 1.00 0.00 H new ATOM 0 HH22 ARG A 21 33.715 -4.957 9.055 1.00 0.00 H new ATOM 376 N ASN A 22 28.042 -5.290 1.131 1.00 0.00 N ATOM 377 CA ASN A 22 26.630 -5.125 0.686 1.00 0.00 C ATOM 378 C ASN A 22 25.941 -6.489 0.674 1.00 0.00 C ATOM 379 O ASN A 22 24.860 -6.657 1.203 1.00 0.00 O ATOM 380 CB ASN A 22 26.718 -4.552 -0.729 1.00 0.00 C ATOM 381 CG ASN A 22 25.365 -4.705 -1.426 1.00 0.00 C ATOM 382 OD1 ASN A 22 25.002 -5.787 -1.842 1.00 0.00 O ATOM 383 ND2 ASN A 22 24.597 -3.660 -1.571 1.00 0.00 N ATOM 0 H ASN A 22 28.734 -4.778 0.584 1.00 0.00 H new ATOM 0 HA ASN A 22 26.055 -4.473 1.344 1.00 0.00 H new ATOM 0 HB2 ASN A 22 27.002 -3.500 -0.690 1.00 0.00 H new ATOM 0 HB3 ASN A 22 27.492 -5.070 -1.295 1.00 0.00 H new ATOM 0 HD21 ASN A 22 23.693 -3.752 -2.033 1.00 0.00 H new ATOM 0 HD22 ASN A 22 24.901 -2.751 -1.222 1.00 0.00 H new ATOM 390 N GLU A 23 26.570 -7.469 0.086 1.00 0.00 N ATOM 391 CA GLU A 23 25.964 -8.829 0.055 1.00 0.00 C ATOM 392 C GLU A 23 25.844 -9.364 1.485 1.00 0.00 C ATOM 393 O GLU A 23 24.787 -9.786 1.919 1.00 0.00 O ATOM 394 CB GLU A 23 26.941 -9.677 -0.761 1.00 0.00 C ATOM 395 CG GLU A 23 26.196 -10.856 -1.388 1.00 0.00 C ATOM 396 CD GLU A 23 26.112 -10.660 -2.903 1.00 0.00 C ATOM 397 OE1 GLU A 23 26.888 -9.875 -3.423 1.00 0.00 O ATOM 398 OE2 GLU A 23 25.274 -11.299 -3.518 1.00 0.00 O ATOM 0 H GLU A 23 27.477 -7.387 -0.374 1.00 0.00 H new ATOM 0 HA GLU A 23 24.965 -8.839 -0.380 1.00 0.00 H new ATOM 0 HB2 GLU A 23 27.403 -9.070 -1.540 1.00 0.00 H new ATOM 0 HB3 GLU A 23 27.745 -10.041 -0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 23 26.712 -11.789 -1.159 1.00 0.00 H new ATOM 0 HG3 GLU A 23 25.195 -10.934 -0.965 1.00 0.00 H new ATOM 405 N ALA A 24 26.919 -9.332 2.226 1.00 0.00 N ATOM 406 CA ALA A 24 26.866 -9.822 3.631 1.00 0.00 C ATOM 407 C ALA A 24 25.802 -9.036 4.398 1.00 0.00 C ATOM 408 O ALA A 24 24.964 -9.599 5.075 1.00 0.00 O ATOM 409 CB ALA A 24 28.258 -9.549 4.201 1.00 0.00 C ATOM 0 H ALA A 24 27.829 -8.988 1.919 1.00 0.00 H new ATOM 0 HA ALA A 24 26.607 -10.878 3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 24 28.299 -9.884 5.238 1.00 0.00 H new ATOM 0 HB2 ALA A 24 29.003 -10.088 3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 24 28.466 -8.480 4.157 1.00 0.00 H new ATOM 415 N LEU A 25 25.820 -7.736 4.281 1.00 0.00 N ATOM 416 CA LEU A 25 24.799 -6.915 4.986 1.00 0.00 C ATOM 417 C LEU A 25 23.408 -7.288 4.472 1.00 0.00 C ATOM 418 O LEU A 25 22.456 -7.364 5.222 1.00 0.00 O ATOM 419 CB LEU A 25 25.136 -5.466 4.633 1.00 0.00 C ATOM 420 CG LEU A 25 25.754 -4.774 5.849 1.00 0.00 C ATOM 421 CD1 LEU A 25 24.794 -4.872 7.036 1.00 0.00 C ATOM 422 CD2 LEU A 25 27.075 -5.459 6.206 1.00 0.00 C ATOM 0 H LEU A 25 26.497 -7.209 3.729 1.00 0.00 H new ATOM 0 HA LEU A 25 24.802 -7.072 6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 25 25.830 -5.437 3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 25 24.235 -4.938 4.320 1.00 0.00 H new ATOM 0 HG LEU A 25 25.937 -3.725 5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 25 25.235 -4.379 7.902 1.00 0.00 H new ATOM 0 HD12 LEU A 25 23.851 -4.387 6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 25 24.611 -5.921 7.270 1.00 0.00 H new ATOM 0 HD21 LEU A 25 27.517 -4.967 7.072 1.00 0.00 H new ATOM 0 HD22 LEU A 25 26.890 -6.508 6.439 1.00 0.00 H new ATOM 0 HD23 LEU A 25 27.760 -5.391 5.361 1.00 0.00 H new ATOM 434 N GLU A 26 23.289 -7.537 3.196 1.00 0.00 N ATOM 435 CA GLU A 26 21.963 -7.923 2.638 1.00 0.00 C ATOM 436 C GLU A 26 21.363 -9.039 3.492 1.00 0.00 C ATOM 437 O GLU A 26 20.196 -9.021 3.828 1.00 0.00 O ATOM 438 CB GLU A 26 22.257 -8.424 1.223 1.00 0.00 C ATOM 439 CG GLU A 26 20.960 -8.459 0.413 1.00 0.00 C ATOM 440 CD GLU A 26 20.089 -9.621 0.893 1.00 0.00 C ATOM 441 OE1 GLU A 26 20.643 -10.584 1.396 1.00 0.00 O ATOM 442 OE2 GLU A 26 18.881 -9.528 0.749 1.00 0.00 O ATOM 0 H GLU A 26 24.050 -7.490 2.519 1.00 0.00 H new ATOM 0 HA GLU A 26 21.251 -7.098 2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 26 22.983 -7.771 0.738 1.00 0.00 H new ATOM 0 HB3 GLU A 26 22.700 -9.419 1.263 1.00 0.00 H new ATOM 0 HG2 GLU A 26 20.423 -7.517 0.526 1.00 0.00 H new ATOM 0 HG3 GLU A 26 21.184 -8.573 -0.648 1.00 0.00 H new ATOM 449 N LEU A 27 22.160 -10.008 3.854 1.00 0.00 N ATOM 450 CA LEU A 27 21.642 -11.121 4.698 1.00 0.00 C ATOM 451 C LEU A 27 21.330 -10.605 6.106 1.00 0.00 C ATOM 452 O LEU A 27 20.375 -11.020 6.733 1.00 0.00 O ATOM 453 CB LEU A 27 22.774 -12.147 4.743 1.00 0.00 C ATOM 454 CG LEU A 27 22.226 -13.527 4.377 1.00 0.00 C ATOM 455 CD1 LEU A 27 21.637 -13.484 2.966 1.00 0.00 C ATOM 456 CD2 LEU A 27 23.361 -14.553 4.425 1.00 0.00 C ATOM 0 H LEU A 27 23.146 -10.076 3.602 1.00 0.00 H new ATOM 0 HA LEU A 27 20.722 -11.550 4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 27 23.565 -11.862 4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 27 23.217 -12.172 5.739 1.00 0.00 H new ATOM 0 HG LEU A 27 21.448 -13.810 5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 27 21.246 -14.467 2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 27 20.830 -12.752 2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 27 22.414 -13.202 2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 27 22.973 -15.538 4.164 1.00 0.00 H new ATOM 0 HD22 LEU A 27 24.138 -14.270 3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 27 23.782 -14.583 5.430 1.00 0.00 H new ATOM 468 N LYS A 28 22.129 -9.700 6.604 1.00 0.00 N ATOM 469 CA LYS A 28 21.881 -9.152 7.970 1.00 0.00 C ATOM 470 C LYS A 28 20.467 -8.567 8.053 1.00 0.00 C ATOM 471 O LYS A 28 19.692 -8.913 8.922 1.00 0.00 O ATOM 472 CB LYS A 28 22.934 -8.056 8.151 1.00 0.00 C ATOM 473 CG LYS A 28 22.513 -7.111 9.279 1.00 0.00 C ATOM 474 CD LYS A 28 22.237 -7.919 10.547 1.00 0.00 C ATOM 475 CE LYS A 28 22.625 -7.092 11.775 1.00 0.00 C ATOM 476 NZ LYS A 28 21.341 -6.538 12.287 1.00 0.00 N ATOM 0 H LYS A 28 22.943 -9.316 6.124 1.00 0.00 H new ATOM 0 HA LYS A 28 21.953 -9.915 8.745 1.00 0.00 H new ATOM 0 HB2 LYS A 28 23.901 -8.503 8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 28 23.054 -7.498 7.223 1.00 0.00 H new ATOM 0 HG2 LYS A 28 23.298 -6.379 9.466 1.00 0.00 H new ATOM 0 HG3 LYS A 28 21.621 -6.555 8.988 1.00 0.00 H new ATOM 0 HD2 LYS A 28 21.182 -8.189 10.596 1.00 0.00 H new ATOM 0 HD3 LYS A 28 22.804 -8.850 10.528 1.00 0.00 H new ATOM 0 HE2 LYS A 28 23.117 -7.709 12.527 1.00 0.00 H new ATOM 0 HE3 LYS A 28 23.321 -6.296 11.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 21.525 -5.958 13.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 20.899 -5.950 11.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 20.701 -7.319 12.537 1.00 0.00 H new ATOM 490 N ASP A 29 20.128 -7.682 7.155 1.00 0.00 N ATOM 491 CA ASP A 29 18.766 -7.076 7.184 1.00 0.00 C ATOM 492 C ASP A 29 17.723 -8.101 6.732 1.00 0.00 C ATOM 493 O ASP A 29 16.882 -8.525 7.500 1.00 0.00 O ATOM 494 CB ASP A 29 18.832 -5.908 6.199 1.00 0.00 C ATOM 495 CG ASP A 29 18.846 -4.588 6.971 1.00 0.00 C ATOM 496 OD1 ASP A 29 18.371 -4.577 8.095 1.00 0.00 O ATOM 497 OD2 ASP A 29 19.331 -3.610 6.426 1.00 0.00 O ATOM 0 H ASP A 29 20.734 -7.353 6.404 1.00 0.00 H new ATOM 0 HA ASP A 29 18.479 -6.750 8.184 1.00 0.00 H new ATOM 0 HB2 ASP A 29 19.727 -5.990 5.582 1.00 0.00 H new ATOM 0 HB3 ASP A 29 17.976 -5.938 5.525 1.00 0.00 H new ATOM 502 N ALA A 30 17.770 -8.500 5.491 1.00 0.00 N ATOM 503 CA ALA A 30 16.780 -9.497 4.990 1.00 0.00 C ATOM 504 C ALA A 30 16.582 -10.610 6.023 1.00 0.00 C ATOM 505 O ALA A 30 15.512 -11.172 6.146 1.00 0.00 O ATOM 506 CB ALA A 30 17.397 -10.058 3.709 1.00 0.00 C ATOM 0 H ALA A 30 18.450 -8.180 4.802 1.00 0.00 H new ATOM 0 HA ALA A 30 15.801 -9.053 4.810 1.00 0.00 H new ATOM 0 HB1 ALA A 30 16.727 -10.801 3.278 1.00 0.00 H new ATOM 0 HB2 ALA A 30 17.550 -9.249 2.994 1.00 0.00 H new ATOM 0 HB3 ALA A 30 18.355 -10.524 3.940 1.00 0.00 H new ATOM 512 N GLN A 31 17.604 -10.931 6.769 1.00 0.00 N ATOM 513 CA GLN A 31 17.472 -12.005 7.793 1.00 0.00 C ATOM 514 C GLN A 31 18.447 -11.753 8.945 1.00 0.00 C ATOM 515 O GLN A 31 19.645 -11.878 8.793 1.00 0.00 O ATOM 516 CB GLN A 31 17.830 -13.298 7.059 1.00 0.00 C ATOM 517 CG GLN A 31 16.873 -13.499 5.883 1.00 0.00 C ATOM 518 CD GLN A 31 17.074 -14.896 5.294 1.00 0.00 C ATOM 519 OE1 GLN A 31 17.258 -15.854 6.019 1.00 0.00 O ATOM 520 NE2 GLN A 31 17.048 -15.055 3.999 1.00 0.00 N ATOM 0 H GLN A 31 18.525 -10.495 6.713 1.00 0.00 H new ATOM 0 HA GLN A 31 16.472 -12.047 8.225 1.00 0.00 H new ATOM 0 HB2 GLN A 31 18.859 -13.253 6.701 1.00 0.00 H new ATOM 0 HB3 GLN A 31 17.767 -14.145 7.742 1.00 0.00 H new ATOM 0 HG2 GLN A 31 15.842 -13.378 6.215 1.00 0.00 H new ATOM 0 HG3 GLN A 31 17.054 -12.742 5.120 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.894 -14.252 3.390 1.00 0.00 H new ATOM 0 HE22 GLN A 31 17.182 -15.982 3.596 1.00 0.00 H new ATOM 606 N TYR B 4 34.458 4.993 -12.360 1.00 0.00 N ATOM 607 CA TYR B 4 33.841 4.867 -11.009 1.00 0.00 C ATOM 608 C TYR B 4 32.818 3.728 -10.999 1.00 0.00 C ATOM 609 O TYR B 4 32.426 3.224 -12.033 1.00 0.00 O ATOM 610 CB TYR B 4 33.153 6.210 -10.761 1.00 0.00 C ATOM 611 CG TYR B 4 31.923 6.314 -11.631 1.00 0.00 C ATOM 612 CD1 TYR B 4 30.698 5.810 -11.175 1.00 0.00 C ATOM 613 CD2 TYR B 4 32.007 6.912 -12.894 1.00 0.00 C ATOM 614 CE1 TYR B 4 29.558 5.905 -11.982 1.00 0.00 C ATOM 615 CE2 TYR B 4 30.867 7.006 -13.701 1.00 0.00 C ATOM 616 CZ TYR B 4 29.643 6.503 -13.245 1.00 0.00 C ATOM 617 OH TYR B 4 28.520 6.595 -14.041 1.00 0.00 O ATOM 0 HA TYR B 4 34.577 4.638 -10.238 1.00 0.00 H new ATOM 0 HB2 TYR B 4 32.877 6.301 -9.710 1.00 0.00 H new ATOM 0 HB3 TYR B 4 33.838 7.028 -10.982 1.00 0.00 H new ATOM 0 HD1 TYR B 4 30.633 5.348 -10.201 1.00 0.00 H new ATOM 0 HD2 TYR B 4 32.951 7.301 -13.246 1.00 0.00 H new ATOM 0 HE1 TYR B 4 28.613 5.517 -11.630 1.00 0.00 H new ATOM 0 HE2 TYR B 4 30.932 7.467 -14.676 1.00 0.00 H new ATOM 0 HH TYR B 4 28.752 7.038 -14.884 1.00 0.00 H new ATOM 627 N PHE B 5 32.383 3.318 -9.839 1.00 0.00 N ATOM 628 CA PHE B 5 31.386 2.212 -9.766 1.00 0.00 C ATOM 629 C PHE B 5 30.104 2.698 -9.086 1.00 0.00 C ATOM 630 O PHE B 5 29.959 3.863 -8.772 1.00 0.00 O ATOM 631 CB PHE B 5 32.058 1.127 -8.925 1.00 0.00 C ATOM 632 CG PHE B 5 33.418 0.810 -9.501 1.00 0.00 C ATOM 633 CD1 PHE B 5 33.544 -0.159 -10.504 1.00 0.00 C ATOM 634 CD2 PHE B 5 34.551 1.484 -9.032 1.00 0.00 C ATOM 635 CE1 PHE B 5 34.805 -0.454 -11.037 1.00 0.00 C ATOM 636 CE2 PHE B 5 35.811 1.190 -9.566 1.00 0.00 C ATOM 637 CZ PHE B 5 35.938 0.221 -10.568 1.00 0.00 C ATOM 0 H PHE B 5 32.674 3.700 -8.939 1.00 0.00 H new ATOM 0 HA PHE B 5 31.103 1.847 -10.753 1.00 0.00 H new ATOM 0 HB2 PHE B 5 32.158 1.463 -7.893 1.00 0.00 H new ATOM 0 HB3 PHE B 5 31.440 0.229 -8.910 1.00 0.00 H new ATOM 0 HD1 PHE B 5 32.669 -0.679 -10.866 1.00 0.00 H new ATOM 0 HD2 PHE B 5 34.453 2.231 -8.258 1.00 0.00 H new ATOM 0 HE1 PHE B 5 34.903 -1.202 -11.810 1.00 0.00 H new ATOM 0 HE2 PHE B 5 36.685 1.711 -9.205 1.00 0.00 H new ATOM 0 HZ PHE B 5 36.910 -0.006 -10.979 1.00 0.00 H new ATOM 647 N THR B 6 29.174 1.813 -8.855 1.00 0.00 N ATOM 648 CA THR B 6 27.902 2.221 -8.194 1.00 0.00 C ATOM 649 C THR B 6 27.239 1.009 -7.536 1.00 0.00 C ATOM 650 O THR B 6 27.434 -0.117 -7.949 1.00 0.00 O ATOM 651 CB THR B 6 27.025 2.767 -9.322 1.00 0.00 C ATOM 652 OG1 THR B 6 27.721 3.804 -10.000 1.00 0.00 O ATOM 653 CG2 THR B 6 25.723 3.319 -8.739 1.00 0.00 C ATOM 0 H THR B 6 29.240 0.824 -9.096 1.00 0.00 H new ATOM 0 HA THR B 6 28.062 2.961 -7.410 1.00 0.00 H new ATOM 0 HB THR B 6 26.793 1.965 -10.023 1.00 0.00 H new ATOM 0 HG1 THR B 6 28.417 4.168 -9.414 1.00 0.00 H new ATOM 0 HG21 THR B 6 25.100 3.708 -9.544 1.00 0.00 H new ATOM 0 HG22 THR B 6 25.190 2.522 -8.220 1.00 0.00 H new ATOM 0 HG23 THR B 6 25.950 4.121 -8.037 1.00 0.00 H new ATOM 661 N LEU B 7 26.458 1.228 -6.513 1.00 0.00 N ATOM 662 CA LEU B 7 25.787 0.085 -5.831 1.00 0.00 C ATOM 663 C LEU B 7 24.378 0.487 -5.387 1.00 0.00 C ATOM 664 O LEU B 7 24.091 1.648 -5.173 1.00 0.00 O ATOM 665 CB LEU B 7 26.665 -0.220 -4.617 1.00 0.00 C ATOM 666 CG LEU B 7 27.501 -1.471 -4.892 1.00 0.00 C ATOM 667 CD1 LEU B 7 28.792 -1.414 -4.073 1.00 0.00 C ATOM 668 CD2 LEU B 7 26.702 -2.715 -4.497 1.00 0.00 C ATOM 0 H LEU B 7 26.256 2.148 -6.121 1.00 0.00 H new ATOM 0 HA LEU B 7 25.678 -0.781 -6.484 1.00 0.00 H new ATOM 0 HB2 LEU B 7 27.318 0.627 -4.405 1.00 0.00 H new ATOM 0 HB3 LEU B 7 26.043 -0.372 -3.735 1.00 0.00 H new ATOM 0 HG LEU B 7 27.746 -1.517 -5.953 1.00 0.00 H new ATOM 0 HD11 LEU B 7 29.387 -2.306 -4.269 1.00 0.00 H new ATOM 0 HD12 LEU B 7 29.362 -0.528 -4.353 1.00 0.00 H new ATOM 0 HD13 LEU B 7 28.548 -1.367 -3.012 1.00 0.00 H new ATOM 0 HD21 LEU B 7 27.297 -3.607 -4.693 1.00 0.00 H new ATOM 0 HD22 LEU B 7 26.457 -2.668 -3.436 1.00 0.00 H new ATOM 0 HD23 LEU B 7 25.782 -2.757 -5.081 1.00 0.00 H new ATOM 680 N GLN B 8 23.497 -0.466 -5.246 1.00 0.00 N ATOM 681 CA GLN B 8 22.108 -0.139 -4.814 1.00 0.00 C ATOM 682 C GLN B 8 21.803 -0.810 -3.472 1.00 0.00 C ATOM 683 O GLN B 8 22.192 -1.934 -3.227 1.00 0.00 O ATOM 684 CB GLN B 8 21.207 -0.703 -5.913 1.00 0.00 C ATOM 685 CG GLN B 8 21.720 -0.246 -7.280 1.00 0.00 C ATOM 686 CD GLN B 8 20.592 -0.345 -8.308 1.00 0.00 C ATOM 687 OE1 GLN B 8 19.430 -0.301 -7.959 1.00 0.00 O ATOM 688 NE2 GLN B 8 20.888 -0.479 -9.572 1.00 0.00 N ATOM 0 H GLN B 8 23.679 -1.456 -5.411 1.00 0.00 H new ATOM 0 HA GLN B 8 21.959 0.932 -4.676 1.00 0.00 H new ATOM 0 HB2 GLN B 8 21.194 -1.792 -5.863 1.00 0.00 H new ATOM 0 HB3 GLN B 8 20.181 -0.365 -5.766 1.00 0.00 H new ATOM 0 HG2 GLN B 8 22.082 0.780 -7.220 1.00 0.00 H new ATOM 0 HG3 GLN B 8 22.563 -0.864 -7.589 1.00 0.00 H new ATOM 0 HE21 GLN B 8 21.864 -0.516 -9.866 1.00 0.00 H new ATOM 0 HE22 GLN B 8 20.143 -0.547 -10.266 1.00 0.00 H new ATOM 697 N ILE B 9 21.110 -0.128 -2.602 1.00 0.00 N ATOM 698 CA ILE B 9 20.783 -0.727 -1.276 1.00 0.00 C ATOM 699 C ILE B 9 19.266 -0.776 -1.077 1.00 0.00 C ATOM 700 O ILE B 9 18.513 -0.182 -1.823 1.00 0.00 O ATOM 701 CB ILE B 9 21.432 0.205 -0.253 1.00 0.00 C ATOM 702 CG1 ILE B 9 22.879 0.483 -0.668 1.00 0.00 C ATOM 703 CG2 ILE B 9 21.416 -0.457 1.126 1.00 0.00 C ATOM 704 CD1 ILE B 9 23.713 -0.788 -0.494 1.00 0.00 C ATOM 0 H ILE B 9 20.756 0.817 -2.751 1.00 0.00 H new ATOM 0 HA ILE B 9 21.146 -1.751 -1.182 1.00 0.00 H new ATOM 0 HB ILE B 9 20.877 1.142 -0.211 1.00 0.00 H new ATOM 0 HG12 ILE B 9 22.914 0.814 -1.706 1.00 0.00 H new ATOM 0 HG13 ILE B 9 23.294 1.289 -0.062 1.00 0.00 H new ATOM 0 HG21 ILE B 9 21.879 0.209 1.854 1.00 0.00 H new ATOM 0 HG22 ILE B 9 20.386 -0.658 1.421 1.00 0.00 H new ATOM 0 HG23 ILE B 9 21.971 -1.394 1.086 1.00 0.00 H new ATOM 0 HD11 ILE B 9 24.743 -0.590 -0.789 1.00 0.00 H new ATOM 0 HD12 ILE B 9 23.688 -1.099 0.550 1.00 0.00 H new ATOM 0 HD13 ILE B 9 23.302 -1.581 -1.119 1.00 0.00 H new ATOM 716 N ARG B 10 18.811 -1.482 -0.078 1.00 0.00 N ATOM 717 CA ARG B 10 17.343 -1.570 0.164 1.00 0.00 C ATOM 718 C ARG B 10 17.061 -1.738 1.659 1.00 0.00 C ATOM 719 O ARG B 10 16.081 -2.339 2.051 1.00 0.00 O ATOM 720 CB ARG B 10 16.888 -2.808 -0.610 1.00 0.00 C ATOM 721 CG ARG B 10 17.494 -4.060 0.029 1.00 0.00 C ATOM 722 CD ARG B 10 17.514 -5.197 -0.995 1.00 0.00 C ATOM 723 NE ARG B 10 16.569 -6.214 -0.457 1.00 0.00 N ATOM 724 CZ ARG B 10 16.410 -7.350 -1.079 1.00 0.00 C ATOM 725 NH1 ARG B 10 15.621 -7.421 -2.117 1.00 0.00 N ATOM 726 NH2 ARG B 10 17.039 -8.415 -0.664 1.00 0.00 N ATOM 0 H ARG B 10 19.392 -2.001 0.580 1.00 0.00 H new ATOM 0 HA ARG B 10 16.817 -0.671 -0.158 1.00 0.00 H new ATOM 0 HB2 ARG B 10 15.800 -2.874 -0.604 1.00 0.00 H new ATOM 0 HB3 ARG B 10 17.197 -2.733 -1.652 1.00 0.00 H new ATOM 0 HG2 ARG B 10 18.506 -3.851 0.376 1.00 0.00 H new ATOM 0 HG3 ARG B 10 16.912 -4.353 0.903 1.00 0.00 H new ATOM 0 HD2 ARG B 10 17.201 -4.848 -1.979 1.00 0.00 H new ATOM 0 HD3 ARG B 10 18.517 -5.610 -1.108 1.00 0.00 H new ATOM 0 HE ARG B 10 16.046 -6.023 0.398 1.00 0.00 H new ATOM 0 HH11 ARG B 10 15.129 -6.589 -2.442 1.00 0.00 H new ATOM 0 HH12 ARG B 10 15.497 -8.309 -2.603 1.00 0.00 H new ATOM 0 HH21 ARG B 10 17.655 -8.360 0.147 1.00 0.00 H new ATOM 0 HH22 ARG B 10 16.914 -9.303 -1.150 1.00 0.00 H new ATOM 740 N GLY B 11 17.912 -1.212 2.497 1.00 0.00 N ATOM 741 CA GLY B 11 17.688 -1.345 3.964 1.00 0.00 C ATOM 742 C GLY B 11 18.452 -0.244 4.702 1.00 0.00 C ATOM 743 O GLY B 11 19.667 -0.203 4.689 1.00 0.00 O ATOM 0 H GLY B 11 18.751 -0.697 2.230 1.00 0.00 H new ATOM 0 HA2 GLY B 11 16.623 -1.275 4.187 1.00 0.00 H new ATOM 0 HA3 GLY B 11 18.022 -2.325 4.306 1.00 0.00 H new ATOM 747 N ARG B 12 17.751 0.647 5.347 1.00 0.00 N ATOM 748 CA ARG B 12 18.439 1.744 6.086 1.00 0.00 C ATOM 749 C ARG B 12 19.316 1.161 7.198 1.00 0.00 C ATOM 750 O ARG B 12 20.339 1.714 7.548 1.00 0.00 O ATOM 751 CB ARG B 12 17.312 2.591 6.678 1.00 0.00 C ATOM 752 CG ARG B 12 17.709 4.067 6.642 1.00 0.00 C ATOM 753 CD ARG B 12 16.450 4.935 6.593 1.00 0.00 C ATOM 754 NE ARG B 12 15.855 4.828 7.954 1.00 0.00 N ATOM 755 CZ ARG B 12 14.727 5.427 8.222 1.00 0.00 C ATOM 756 NH1 ARG B 12 14.483 6.610 7.727 1.00 0.00 N ATOM 757 NH2 ARG B 12 13.843 4.844 8.984 1.00 0.00 N ATOM 0 H ARG B 12 16.732 0.663 5.395 1.00 0.00 H new ATOM 0 HA ARG B 12 19.093 2.331 5.441 1.00 0.00 H new ATOM 0 HB2 ARG B 12 16.392 2.437 6.113 1.00 0.00 H new ATOM 0 HB3 ARG B 12 17.112 2.282 7.704 1.00 0.00 H new ATOM 0 HG2 ARG B 12 18.301 4.317 7.522 1.00 0.00 H new ATOM 0 HG3 ARG B 12 18.334 4.265 5.771 1.00 0.00 H new ATOM 0 HD2 ARG B 12 16.693 5.969 6.349 1.00 0.00 H new ATOM 0 HD3 ARG B 12 15.756 4.582 5.830 1.00 0.00 H new ATOM 0 HE ARG B 12 16.329 4.286 8.677 1.00 0.00 H new ATOM 0 HH11 ARG B 12 15.174 7.066 7.131 1.00 0.00 H new ATOM 0 HH12 ARG B 12 13.601 7.078 7.936 1.00 0.00 H new ATOM 0 HH21 ARG B 12 14.033 3.920 9.371 1.00 0.00 H new ATOM 0 HH22 ARG B 12 12.962 5.313 9.193 1.00 0.00 H new ATOM 771 N GLU B 13 18.924 0.047 7.754 1.00 0.00 N ATOM 772 CA GLU B 13 19.738 -0.569 8.840 1.00 0.00 C ATOM 773 C GLU B 13 21.161 -0.832 8.343 1.00 0.00 C ATOM 774 O GLU B 13 22.125 -0.357 8.910 1.00 0.00 O ATOM 775 CB GLU B 13 19.030 -1.884 9.168 1.00 0.00 C ATOM 776 CG GLU B 13 17.616 -1.590 9.672 1.00 0.00 C ATOM 777 CD GLU B 13 16.610 -1.849 8.549 1.00 0.00 C ATOM 778 OE1 GLU B 13 16.891 -2.691 7.712 1.00 0.00 O ATOM 779 OE2 GLU B 13 15.576 -1.202 8.546 1.00 0.00 O ATOM 0 H GLU B 13 18.077 -0.462 7.504 1.00 0.00 H new ATOM 0 HA GLU B 13 19.821 0.076 9.715 1.00 0.00 H new ATOM 0 HB2 GLU B 13 18.987 -2.517 8.282 1.00 0.00 H new ATOM 0 HB3 GLU B 13 19.591 -2.432 9.925 1.00 0.00 H new ATOM 0 HG2 GLU B 13 17.387 -2.219 10.532 1.00 0.00 H new ATOM 0 HG3 GLU B 13 17.545 -0.555 10.006 1.00 0.00 H new ATOM 786 N ARG B 14 21.301 -1.583 7.285 1.00 0.00 N ATOM 787 CA ARG B 14 22.663 -1.870 6.751 1.00 0.00 C ATOM 788 C ARG B 14 23.153 -0.688 5.912 1.00 0.00 C ATOM 789 O ARG B 14 24.326 -0.369 5.896 1.00 0.00 O ATOM 790 CB ARG B 14 22.497 -3.116 5.880 1.00 0.00 C ATOM 791 CG ARG B 14 21.604 -2.789 4.682 1.00 0.00 C ATOM 792 CD ARG B 14 21.554 -3.993 3.739 1.00 0.00 C ATOM 793 NE ARG B 14 20.198 -3.946 3.127 1.00 0.00 N ATOM 794 CZ ARG B 14 19.916 -4.710 2.107 1.00 0.00 C ATOM 795 NH1 ARG B 14 20.699 -4.719 1.063 1.00 0.00 N ATOM 796 NH2 ARG B 14 18.852 -5.464 2.132 1.00 0.00 N ATOM 0 H ARG B 14 20.532 -2.010 6.768 1.00 0.00 H new ATOM 0 HA ARG B 14 23.395 -2.027 7.543 1.00 0.00 H new ATOM 0 HB2 ARG B 14 23.471 -3.464 5.536 1.00 0.00 H new ATOM 0 HB3 ARG B 14 22.058 -3.925 6.464 1.00 0.00 H new ATOM 0 HG2 ARG B 14 20.599 -2.538 5.022 1.00 0.00 H new ATOM 0 HG3 ARG B 14 21.990 -1.916 4.155 1.00 0.00 H new ATOM 0 HD2 ARG B 14 22.333 -3.932 2.979 1.00 0.00 H new ATOM 0 HD3 ARG B 14 21.710 -4.926 4.281 1.00 0.00 H new ATOM 0 HE ARG B 14 19.489 -3.317 3.505 1.00 0.00 H new ATOM 0 HH11 ARG B 14 21.531 -4.129 1.044 1.00 0.00 H new ATOM 0 HH12 ARG B 14 20.479 -5.316 0.266 1.00 0.00 H new ATOM 0 HH21 ARG B 14 18.241 -5.456 2.948 1.00 0.00 H new ATOM 0 HH22 ARG B 14 18.631 -6.061 1.335 1.00 0.00 H new ATOM 810 N PHE B 15 22.264 -0.030 5.218 1.00 0.00 N ATOM 811 CA PHE B 15 22.682 1.134 4.388 1.00 0.00 C ATOM 812 C PHE B 15 23.438 2.144 5.254 1.00 0.00 C ATOM 813 O PHE B 15 24.561 2.506 4.966 1.00 0.00 O ATOM 814 CB PHE B 15 21.380 1.742 3.867 1.00 0.00 C ATOM 815 CG PHE B 15 21.687 3.022 3.127 1.00 0.00 C ATOM 816 CD1 PHE B 15 22.131 2.974 1.801 1.00 0.00 C ATOM 817 CD2 PHE B 15 21.528 4.256 3.768 1.00 0.00 C ATOM 818 CE1 PHE B 15 22.417 4.160 1.115 1.00 0.00 C ATOM 819 CE2 PHE B 15 21.815 5.443 3.083 1.00 0.00 C ATOM 820 CZ PHE B 15 22.259 5.395 1.756 1.00 0.00 C ATOM 0 H PHE B 15 21.268 -0.248 5.190 1.00 0.00 H new ATOM 0 HA PHE B 15 23.347 0.846 3.573 1.00 0.00 H new ATOM 0 HB2 PHE B 15 20.876 1.038 3.205 1.00 0.00 H new ATOM 0 HB3 PHE B 15 20.701 1.942 4.696 1.00 0.00 H new ATOM 0 HD1 PHE B 15 22.253 2.022 1.307 1.00 0.00 H new ATOM 0 HD2 PHE B 15 21.184 4.293 4.791 1.00 0.00 H new ATOM 0 HE1 PHE B 15 22.759 4.123 0.091 1.00 0.00 H new ATOM 0 HE2 PHE B 15 21.694 6.395 3.578 1.00 0.00 H new ATOM 0 HZ PHE B 15 22.480 6.310 1.227 1.00 0.00 H new ATOM 830 N GLU B 16 22.830 2.596 6.317 1.00 0.00 N ATOM 831 CA GLU B 16 23.516 3.576 7.206 1.00 0.00 C ATOM 832 C GLU B 16 24.971 3.154 7.421 1.00 0.00 C ATOM 833 O GLU B 16 25.858 3.977 7.528 1.00 0.00 O ATOM 834 CB GLU B 16 22.741 3.527 8.524 1.00 0.00 C ATOM 835 CG GLU B 16 21.550 4.484 8.453 1.00 0.00 C ATOM 836 CD GLU B 16 22.057 5.926 8.399 1.00 0.00 C ATOM 837 OE1 GLU B 16 23.261 6.112 8.448 1.00 0.00 O ATOM 838 OE2 GLU B 16 21.231 6.820 8.309 1.00 0.00 O ATOM 0 H GLU B 16 21.889 2.329 6.608 1.00 0.00 H new ATOM 0 HA GLU B 16 23.533 4.581 6.784 1.00 0.00 H new ATOM 0 HB2 GLU B 16 22.394 2.512 8.716 1.00 0.00 H new ATOM 0 HB3 GLU B 16 23.394 3.803 9.352 1.00 0.00 H new ATOM 0 HG2 GLU B 16 20.947 4.266 7.572 1.00 0.00 H new ATOM 0 HG3 GLU B 16 20.906 4.346 9.322 1.00 0.00 H new ATOM 845 N GLN B 17 25.221 1.874 7.478 1.00 0.00 N ATOM 846 CA GLN B 17 26.618 1.397 7.679 1.00 0.00 C ATOM 847 C GLN B 17 27.462 1.715 6.442 1.00 0.00 C ATOM 848 O GLN B 17 28.594 2.143 6.544 1.00 0.00 O ATOM 849 CB GLN B 17 26.499 -0.115 7.873 1.00 0.00 C ATOM 850 CG GLN B 17 25.531 -0.409 9.022 1.00 0.00 C ATOM 851 CD GLN B 17 25.961 -1.690 9.738 1.00 0.00 C ATOM 852 OE1 GLN B 17 27.054 -2.178 9.530 1.00 0.00 O ATOM 853 NE2 GLN B 17 25.141 -2.260 10.578 1.00 0.00 N ATOM 0 H GLN B 17 24.519 1.139 7.394 1.00 0.00 H new ATOM 0 HA GLN B 17 27.102 1.877 8.529 1.00 0.00 H new ATOM 0 HB2 GLN B 17 26.143 -0.583 6.955 1.00 0.00 H new ATOM 0 HB3 GLN B 17 27.478 -0.542 8.090 1.00 0.00 H new ATOM 0 HG2 GLN B 17 25.519 0.425 9.723 1.00 0.00 H new ATOM 0 HG3 GLN B 17 24.517 -0.518 8.638 1.00 0.00 H new ATOM 0 HE21 GLN B 17 24.223 -1.850 10.753 1.00 0.00 H new ATOM 0 HE22 GLN B 17 25.418 -3.115 11.060 1.00 0.00 H new ATOM 862 N PHE B 18 26.917 1.512 5.272 1.00 0.00 N ATOM 863 CA PHE B 18 27.690 1.807 4.031 1.00 0.00 C ATOM 864 C PHE B 18 27.726 3.318 3.783 1.00 0.00 C ATOM 865 O PHE B 18 28.776 3.902 3.610 1.00 0.00 O ATOM 866 CB PHE B 18 26.935 1.094 2.908 1.00 0.00 C ATOM 867 CG PHE B 18 27.069 -0.399 3.080 1.00 0.00 C ATOM 868 CD1 PHE B 18 28.317 -0.956 3.375 1.00 0.00 C ATOM 869 CD2 PHE B 18 25.948 -1.225 2.940 1.00 0.00 C ATOM 870 CE1 PHE B 18 28.446 -2.340 3.532 1.00 0.00 C ATOM 871 CE2 PHE B 18 26.076 -2.611 3.096 1.00 0.00 C ATOM 872 CZ PHE B 18 27.326 -3.169 3.392 1.00 0.00 C ATOM 0 H PHE B 18 25.973 1.156 5.122 1.00 0.00 H new ATOM 0 HA PHE B 18 28.724 1.469 4.098 1.00 0.00 H new ATOM 0 HB2 PHE B 18 25.883 1.380 2.924 1.00 0.00 H new ATOM 0 HB3 PHE B 18 27.333 1.396 1.939 1.00 0.00 H new ATOM 0 HD1 PHE B 18 29.182 -0.318 3.482 1.00 0.00 H new ATOM 0 HD2 PHE B 18 24.984 -0.794 2.712 1.00 0.00 H new ATOM 0 HE1 PHE B 18 29.410 -2.770 3.761 1.00 0.00 H new ATOM 0 HE2 PHE B 18 25.211 -3.249 2.988 1.00 0.00 H new ATOM 0 HZ PHE B 18 27.426 -4.238 3.512 1.00 0.00 H new ATOM 882 N ARG B 19 26.587 3.956 3.767 1.00 0.00 N ATOM 883 CA ARG B 19 26.563 5.429 3.534 1.00 0.00 C ATOM 884 C ARG B 19 27.626 6.114 4.397 1.00 0.00 C ATOM 885 O ARG B 19 28.548 6.726 3.895 1.00 0.00 O ATOM 886 CB ARG B 19 25.162 5.877 3.950 1.00 0.00 C ATOM 887 CG ARG B 19 25.086 7.405 3.916 1.00 0.00 C ATOM 888 CD ARG B 19 23.697 7.860 4.370 1.00 0.00 C ATOM 889 NE ARG B 19 23.865 9.291 4.745 1.00 0.00 N ATOM 890 CZ ARG B 19 22.889 9.932 5.327 1.00 0.00 C ATOM 891 NH1 ARG B 19 21.852 10.313 4.632 1.00 0.00 N ATOM 892 NH2 ARG B 19 22.949 10.193 6.604 1.00 0.00 N ATOM 0 H ARG B 19 25.674 3.522 3.905 1.00 0.00 H new ATOM 0 HA ARG B 19 26.778 5.687 2.497 1.00 0.00 H new ATOM 0 HB2 ARG B 19 24.417 5.450 3.278 1.00 0.00 H new ATOM 0 HB3 ARG B 19 24.934 5.513 4.952 1.00 0.00 H new ATOM 0 HG2 ARG B 19 25.850 7.832 4.566 1.00 0.00 H new ATOM 0 HG3 ARG B 19 25.287 7.767 2.908 1.00 0.00 H new ATOM 0 HD2 ARG B 19 22.963 7.744 3.572 1.00 0.00 H new ATOM 0 HD3 ARG B 19 23.345 7.269 5.215 1.00 0.00 H new ATOM 0 HE ARG B 19 24.743 9.770 4.547 1.00 0.00 H new ATOM 0 HH11 ARG B 19 21.804 10.110 3.634 1.00 0.00 H new ATOM 0 HH12 ARG B 19 21.089 10.814 5.087 1.00 0.00 H new ATOM 0 HH21 ARG B 19 23.759 9.896 7.148 1.00 0.00 H new ATOM 0 HH22 ARG B 19 22.186 10.694 7.059 1.00 0.00 H new ATOM 906 N GLU B 20 27.505 6.015 5.693 1.00 0.00 N ATOM 907 CA GLU B 20 28.511 6.660 6.585 1.00 0.00 C ATOM 908 C GLU B 20 29.921 6.209 6.198 1.00 0.00 C ATOM 909 O GLU B 20 30.830 7.007 6.087 1.00 0.00 O ATOM 910 CB GLU B 20 28.160 6.180 7.993 1.00 0.00 C ATOM 911 CG GLU B 20 28.971 6.974 9.019 1.00 0.00 C ATOM 912 CD GLU B 20 28.904 6.272 10.377 1.00 0.00 C ATOM 913 OE1 GLU B 20 28.314 5.206 10.442 1.00 0.00 O ATOM 914 OE2 GLU B 20 29.444 6.813 11.329 1.00 0.00 O ATOM 0 H GLU B 20 26.755 5.517 6.172 1.00 0.00 H new ATOM 0 HA GLU B 20 28.493 7.747 6.512 1.00 0.00 H new ATOM 0 HB2 GLU B 20 27.094 6.309 8.178 1.00 0.00 H new ATOM 0 HB3 GLU B 20 28.373 5.115 8.090 1.00 0.00 H new ATOM 0 HG2 GLU B 20 30.007 7.059 8.692 1.00 0.00 H new ATOM 0 HG3 GLU B 20 28.579 7.988 9.102 1.00 0.00 H new ATOM 921 N ARG B 21 30.112 4.934 5.987 1.00 0.00 N ATOM 922 CA ARG B 21 31.466 4.442 5.604 1.00 0.00 C ATOM 923 C ARG B 21 31.846 4.986 4.225 1.00 0.00 C ATOM 924 O ARG B 21 32.958 5.424 4.008 1.00 0.00 O ATOM 925 CB ARG B 21 31.347 2.918 5.569 1.00 0.00 C ATOM 926 CG ARG B 21 31.287 2.378 6.999 1.00 0.00 C ATOM 927 CD ARG B 21 32.682 1.919 7.431 1.00 0.00 C ATOM 928 NE ARG B 21 32.446 1.004 8.581 1.00 0.00 N ATOM 929 CZ ARG B 21 33.456 0.552 9.273 1.00 0.00 C ATOM 930 NH1 ARG B 21 34.445 1.346 9.580 1.00 0.00 N ATOM 931 NH2 ARG B 21 33.477 -0.695 9.658 1.00 0.00 N ATOM 0 H ARG B 21 29.392 4.215 6.063 1.00 0.00 H new ATOM 0 HA ARG B 21 32.238 4.767 6.302 1.00 0.00 H new ATOM 0 HB2 ARG B 21 30.452 2.625 5.020 1.00 0.00 H new ATOM 0 HB3 ARG B 21 32.199 2.488 5.042 1.00 0.00 H new ATOM 0 HG2 ARG B 21 30.921 3.150 7.676 1.00 0.00 H new ATOM 0 HG3 ARG B 21 30.585 1.546 7.056 1.00 0.00 H new ATOM 0 HD2 ARG B 21 33.199 1.407 6.619 1.00 0.00 H new ATOM 0 HD3 ARG B 21 33.304 2.766 7.721 1.00 0.00 H new ATOM 0 HE ARG B 21 31.495 0.730 8.828 1.00 0.00 H new ATOM 0 HH11 ARG B 21 34.429 2.320 9.279 1.00 0.00 H new ATOM 0 HH12 ARG B 21 35.234 0.992 10.121 1.00 0.00 H new ATOM 0 HH21 ARG B 21 32.704 -1.316 9.418 1.00 0.00 H new ATOM 0 HH22 ARG B 21 34.266 -1.049 10.199 1.00 0.00 H new ATOM 945 N ASN B 22 30.930 4.972 3.294 1.00 0.00 N ATOM 946 CA ASN B 22 31.247 5.501 1.937 1.00 0.00 C ATOM 947 C ASN B 22 32.004 6.822 2.073 1.00 0.00 C ATOM 948 O ASN B 22 33.033 7.027 1.461 1.00 0.00 O ATOM 949 CB ASN B 22 29.892 5.723 1.265 1.00 0.00 C ATOM 950 CG ASN B 22 30.071 6.614 0.035 1.00 0.00 C ATOM 951 OD1 ASN B 22 30.253 7.809 0.157 1.00 0.00 O ATOM 952 ND2 ASN B 22 30.027 6.079 -1.155 1.00 0.00 N ATOM 0 H ASN B 22 29.981 4.619 3.414 1.00 0.00 H new ATOM 0 HA ASN B 22 31.873 4.823 1.357 1.00 0.00 H new ATOM 0 HB2 ASN B 22 29.458 4.767 0.974 1.00 0.00 H new ATOM 0 HB3 ASN B 22 29.199 6.188 1.966 1.00 0.00 H new ATOM 0 HD21 ASN B 22 30.145 6.664 -1.982 1.00 0.00 H new ATOM 0 HD22 ASN B 22 29.874 5.076 -1.258 1.00 0.00 H new ATOM 959 N GLU B 23 31.508 7.713 2.887 1.00 0.00 N ATOM 960 CA GLU B 23 32.206 9.013 3.081 1.00 0.00 C ATOM 961 C GLU B 23 33.576 8.761 3.713 1.00 0.00 C ATOM 962 O GLU B 23 34.592 9.209 3.220 1.00 0.00 O ATOM 963 CB GLU B 23 31.311 9.810 4.031 1.00 0.00 C ATOM 964 CG GLU B 23 31.554 11.306 3.827 1.00 0.00 C ATOM 965 CD GLU B 23 30.323 11.939 3.175 1.00 0.00 C ATOM 966 OE1 GLU B 23 29.268 11.330 3.232 1.00 0.00 O ATOM 967 OE2 GLU B 23 30.458 13.022 2.629 1.00 0.00 O ATOM 0 H GLU B 23 30.650 7.596 3.426 1.00 0.00 H new ATOM 0 HA GLU B 23 32.370 9.548 2.146 1.00 0.00 H new ATOM 0 HB2 GLU B 23 30.263 9.572 3.846 1.00 0.00 H new ATOM 0 HB3 GLU B 23 31.522 9.534 5.064 1.00 0.00 H new ATOM 0 HG2 GLU B 23 31.759 11.786 4.784 1.00 0.00 H new ATOM 0 HG3 GLU B 23 32.431 11.460 3.199 1.00 0.00 H new ATOM 974 N ALA B 24 33.610 8.028 4.794 1.00 0.00 N ATOM 975 CA ALA B 24 34.914 7.730 5.448 1.00 0.00 C ATOM 976 C ALA B 24 35.837 7.038 4.443 1.00 0.00 C ATOM 977 O ALA B 24 36.982 7.408 4.278 1.00 0.00 O ATOM 978 CB ALA B 24 34.575 6.790 6.605 1.00 0.00 C ATOM 0 H ALA B 24 32.792 7.624 5.250 1.00 0.00 H new ATOM 0 HA ALA B 24 35.425 8.627 5.799 1.00 0.00 H new ATOM 0 HB1 ALA B 24 35.488 6.524 7.137 1.00 0.00 H new ATOM 0 HB2 ALA B 24 33.888 7.288 7.289 1.00 0.00 H new ATOM 0 HB3 ALA B 24 34.107 5.887 6.215 1.00 0.00 H new ATOM 984 N LEU B 25 35.338 6.044 3.759 1.00 0.00 N ATOM 985 CA LEU B 25 36.179 5.339 2.752 1.00 0.00 C ATOM 986 C LEU B 25 36.597 6.325 1.661 1.00 0.00 C ATOM 987 O LEU B 25 37.709 6.294 1.172 1.00 0.00 O ATOM 988 CB LEU B 25 35.280 4.244 2.175 1.00 0.00 C ATOM 989 CG LEU B 25 35.726 2.881 2.707 1.00 0.00 C ATOM 990 CD1 LEU B 25 37.200 2.655 2.364 1.00 0.00 C ATOM 991 CD2 LEU B 25 35.545 2.842 4.226 1.00 0.00 C ATOM 0 H LEU B 25 34.386 5.691 3.854 1.00 0.00 H new ATOM 0 HA LEU B 25 37.090 4.922 3.182 1.00 0.00 H new ATOM 0 HB2 LEU B 25 34.241 4.430 2.449 1.00 0.00 H new ATOM 0 HB3 LEU B 25 35.330 4.255 1.086 1.00 0.00 H new ATOM 0 HG LEU B 25 35.122 2.098 2.248 1.00 0.00 H new ATOM 0 HD11 LEU B 25 37.517 1.684 2.743 1.00 0.00 H new ATOM 0 HD12 LEU B 25 37.330 2.682 1.282 1.00 0.00 H new ATOM 0 HD13 LEU B 25 37.804 3.438 2.822 1.00 0.00 H new ATOM 0 HD21 LEU B 25 35.863 1.871 4.605 1.00 0.00 H new ATOM 0 HD22 LEU B 25 36.148 3.626 4.685 1.00 0.00 H new ATOM 0 HD23 LEU B 25 34.495 3.002 4.472 1.00 0.00 H new ATOM 1003 N GLU B 26 35.715 7.211 1.284 1.00 0.00 N ATOM 1004 CA GLU B 26 36.066 8.208 0.235 1.00 0.00 C ATOM 1005 C GLU B 26 37.401 8.867 0.586 1.00 0.00 C ATOM 1006 O GLU B 26 38.252 9.062 -0.259 1.00 0.00 O ATOM 1007 CB GLU B 26 34.932 9.234 0.269 1.00 0.00 C ATOM 1008 CG GLU B 26 34.959 10.070 -1.012 1.00 0.00 C ATOM 1009 CD GLU B 26 36.146 11.032 -0.969 1.00 0.00 C ATOM 1010 OE1 GLU B 26 36.559 11.384 0.124 1.00 0.00 O ATOM 1011 OE2 GLU B 26 36.622 11.403 -2.030 1.00 0.00 O ATOM 0 H GLU B 26 34.769 7.287 1.657 1.00 0.00 H new ATOM 0 HA GLU B 26 36.174 7.761 -0.753 1.00 0.00 H new ATOM 0 HB2 GLU B 26 33.972 8.727 0.364 1.00 0.00 H new ATOM 0 HB3 GLU B 26 35.039 9.881 1.140 1.00 0.00 H new ATOM 0 HG2 GLU B 26 35.037 9.418 -1.882 1.00 0.00 H new ATOM 0 HG3 GLU B 26 34.028 10.628 -1.114 1.00 0.00 H new ATOM 1018 N LEU B 27 37.593 9.199 1.834 1.00 0.00 N ATOM 1019 CA LEU B 27 38.875 9.833 2.250 1.00 0.00 C ATOM 1020 C LEU B 27 40.004 8.801 2.191 1.00 0.00 C ATOM 1021 O LEU B 27 41.125 9.109 1.841 1.00 0.00 O ATOM 1022 CB LEU B 27 38.641 10.293 3.689 1.00 0.00 C ATOM 1023 CG LEU B 27 39.044 11.762 3.831 1.00 0.00 C ATOM 1024 CD1 LEU B 27 38.197 12.618 2.888 1.00 0.00 C ATOM 1025 CD2 LEU B 27 38.814 12.215 5.275 1.00 0.00 C ATOM 0 H LEU B 27 36.916 9.058 2.584 1.00 0.00 H new ATOM 0 HA LEU B 27 39.162 10.662 1.603 1.00 0.00 H new ATOM 0 HB2 LEU B 27 37.592 10.166 3.956 1.00 0.00 H new ATOM 0 HB3 LEU B 27 39.222 9.678 4.377 1.00 0.00 H new ATOM 0 HG LEU B 27 40.098 11.876 3.576 1.00 0.00 H new ATOM 0 HD11 LEU B 27 38.484 13.664 2.990 1.00 0.00 H new ATOM 0 HD12 LEU B 27 38.359 12.295 1.860 1.00 0.00 H new ATOM 0 HD13 LEU B 27 37.143 12.505 3.142 1.00 0.00 H new ATOM 0 HD21 LEU B 27 39.101 13.262 5.378 1.00 0.00 H new ATOM 0 HD22 LEU B 27 37.760 12.101 5.529 1.00 0.00 H new ATOM 0 HD23 LEU B 27 39.417 11.606 5.948 1.00 0.00 H new ATOM 1037 N LYS B 28 39.710 7.573 2.529 1.00 0.00 N ATOM 1038 CA LYS B 28 40.759 6.514 2.490 1.00 0.00 C ATOM 1039 C LYS B 28 41.371 6.434 1.089 1.00 0.00 C ATOM 1040 O LYS B 28 42.572 6.503 0.920 1.00 0.00 O ATOM 1041 CB LYS B 28 40.021 5.218 2.837 1.00 0.00 C ATOM 1042 CG LYS B 28 40.848 4.011 2.387 1.00 0.00 C ATOM 1043 CD LYS B 28 42.260 4.114 2.965 1.00 0.00 C ATOM 1044 CE LYS B 28 42.796 2.710 3.256 1.00 0.00 C ATOM 1045 NZ LYS B 28 43.697 2.398 2.112 1.00 0.00 N ATOM 0 H LYS B 28 38.788 7.258 2.830 1.00 0.00 H new ATOM 0 HA LYS B 28 41.579 6.711 3.181 1.00 0.00 H new ATOM 0 HB2 LYS B 28 39.842 5.167 3.911 1.00 0.00 H new ATOM 0 HB3 LYS B 28 39.046 5.203 2.351 1.00 0.00 H new ATOM 0 HG2 LYS B 28 40.374 3.088 2.720 1.00 0.00 H new ATOM 0 HG3 LYS B 28 40.891 3.972 1.299 1.00 0.00 H new ATOM 0 HD2 LYS B 28 42.916 4.627 2.261 1.00 0.00 H new ATOM 0 HD3 LYS B 28 42.248 4.707 3.880 1.00 0.00 H new ATOM 0 HE2 LYS B 28 43.335 2.682 4.203 1.00 0.00 H new ATOM 0 HE3 LYS B 28 41.985 1.985 3.329 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 44.104 1.449 2.239 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 43.154 2.426 1.225 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 44.463 3.101 2.072 1.00 0.00 H new ATOM 1059 N ASP B 29 40.553 6.291 0.082 1.00 0.00 N ATOM 1060 CA ASP B 29 41.088 6.208 -1.308 1.00 0.00 C ATOM 1061 C ASP B 29 41.574 7.584 -1.771 1.00 0.00 C ATOM 1062 O ASP B 29 42.751 7.797 -1.985 1.00 0.00 O ATOM 1063 CB ASP B 29 39.907 5.741 -2.159 1.00 0.00 C ATOM 1064 CG ASP B 29 40.116 4.282 -2.567 1.00 0.00 C ATOM 1065 OD1 ASP B 29 41.258 3.853 -2.593 1.00 0.00 O ATOM 1066 OD2 ASP B 29 39.132 3.618 -2.846 1.00 0.00 O ATOM 0 H ASP B 29 39.538 6.228 0.161 1.00 0.00 H new ATOM 0 HA ASP B 29 41.938 5.530 -1.384 1.00 0.00 H new ATOM 0 HB2 ASP B 29 38.978 5.843 -1.598 1.00 0.00 H new ATOM 0 HB3 ASP B 29 39.814 6.368 -3.046 1.00 0.00 H new ATOM 1071 N ALA B 30 40.677 8.519 -1.928 1.00 0.00 N ATOM 1072 CA ALA B 30 41.090 9.880 -2.377 1.00 0.00 C ATOM 1073 C ALA B 30 42.360 10.317 -1.643 1.00 0.00 C ATOM 1074 O ALA B 30 43.177 11.043 -2.173 1.00 0.00 O ATOM 1075 CB ALA B 30 39.917 10.790 -2.010 1.00 0.00 C ATOM 0 H ALA B 30 39.677 8.400 -1.765 1.00 0.00 H new ATOM 0 HA ALA B 30 41.314 9.913 -3.443 1.00 0.00 H new ATOM 0 HB1 ALA B 30 40.143 11.814 -2.309 1.00 0.00 H new ATOM 0 HB2 ALA B 30 39.019 10.451 -2.526 1.00 0.00 H new ATOM 0 HB3 ALA B 30 39.752 10.754 -0.933 1.00 0.00 H new ATOM 1081 N GLN B 31 42.530 9.881 -0.425 1.00 0.00 N ATOM 1082 CA GLN B 31 43.747 10.271 0.344 1.00 0.00 C ATOM 1083 C GLN B 31 44.093 9.187 1.367 1.00 0.00 C ATOM 1084 O GLN B 31 43.398 9.000 2.346 1.00 0.00 O ATOM 1085 CB GLN B 31 43.368 11.573 1.051 1.00 0.00 C ATOM 1086 CG GLN B 31 42.980 12.626 0.011 1.00 0.00 C ATOM 1087 CD GLN B 31 42.834 13.988 0.692 1.00 0.00 C ATOM 1088 OE1 GLN B 31 43.615 14.335 1.556 1.00 0.00 O ATOM 1089 NE2 GLN B 31 41.858 14.779 0.339 1.00 0.00 N ATOM 0 H GLN B 31 41.880 9.272 0.071 1.00 0.00 H new ATOM 0 HA GLN B 31 44.620 10.395 -0.297 1.00 0.00 H new ATOM 0 HB2 GLN B 31 42.537 11.399 1.735 1.00 0.00 H new ATOM 0 HB3 GLN B 31 44.205 11.930 1.651 1.00 0.00 H new ATOM 0 HG2 GLN B 31 43.739 12.678 -0.770 1.00 0.00 H new ATOM 0 HG3 GLN B 31 42.044 12.347 -0.472 1.00 0.00 H new ATOM 0 HE21 GLN B 31 41.202 14.488 -0.386 1.00 0.00 H new ATOM 0 HE22 GLN B 31 41.751 15.688 0.788 1.00 0.00 H new