USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 397 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 TYR OH : rot 180:sc= 0.0546 USER MOD Set 1.2: A 15 GLN : amide:sc= 0.347 K(o=0.4,f=-3!) USER MOD Single : A 1 GLY N :NH3+ 147:sc= 0.0168 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.829 K(o=0.83,f=-4.8e-05) USER MOD Single : A 8 THR OG1 : rot 170:sc= 0.0241 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0115 K(o=-0.011,f=-0.83) USER MOD Single : B 103 ASN : amide:sc= 0.232 X(o=0.23,f=0) USER MOD Single : B 104 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : B 105 HIS : no HE2:sc= 0.376 K(o=0.38,f=-2.2!) USER MOD Single : B 109 SER OG : rot 180:sc= 0 USER MOD Single : B 110 HIS : no HD1:sc= -0.0544 X(o=-0.054,f=0) USER MOD Single : B 116 TYR OH : rot 179:sc= 0.347 USER MOD Single : B 126 TYR OH : rot 180:sc= 0 USER MOD Single : B 127 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 130 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.953 24.833 9.877 1.00 0.00 N ATOM 2 CA GLY A 1 13.778 24.202 8.548 1.00 0.00 C ATOM 3 C GLY A 1 15.055 23.523 8.071 1.00 0.00 C ATOM 4 O GLY A 1 16.149 24.007 8.348 1.00 0.00 O ATOM 0 H1 GLY A 1 13.366 25.689 9.935 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.664 24.164 10.619 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.952 25.089 10.011 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.973 23.469 8.597 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.476 24.958 7.824 1.00 0.00 H new ATOM 10 N ILE A 2 14.930 22.409 7.337 1.00 0.00 N ATOM 11 CA ILE A 2 16.052 21.543 6.917 1.00 0.00 C ATOM 12 C ILE A 2 17.114 22.274 6.071 1.00 0.00 C ATOM 13 O ILE A 2 18.317 22.085 6.283 1.00 0.00 O ATOM 14 CB ILE A 2 15.483 20.288 6.200 1.00 0.00 C ATOM 15 CG1 ILE A 2 16.576 19.219 6.008 1.00 0.00 C ATOM 16 CG2 ILE A 2 14.768 20.624 4.875 1.00 0.00 C ATOM 17 CD1 ILE A 2 16.082 17.950 5.296 1.00 0.00 C ATOM 0 H ILE A 2 14.025 22.072 7.008 1.00 0.00 H new ATOM 0 HA ILE A 2 16.590 21.232 7.812 1.00 0.00 H new ATOM 0 HB ILE A 2 14.716 19.872 6.854 1.00 0.00 H new ATOM 0 HG12 ILE A 2 17.397 19.650 5.435 1.00 0.00 H new ATOM 0 HG13 ILE A 2 16.978 18.944 6.983 1.00 0.00 H new ATOM 0 HG21 ILE A 2 14.392 19.707 4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 2 13.935 21.299 5.072 1.00 0.00 H new ATOM 0 HG23 ILE A 2 15.471 21.104 4.194 1.00 0.00 H new ATOM 0 HD11 ILE A 2 16.907 17.244 5.197 1.00 0.00 H new ATOM 0 HD12 ILE A 2 15.282 17.494 5.879 1.00 0.00 H new ATOM 0 HD13 ILE A 2 15.707 18.211 4.306 1.00 0.00 H new ATOM 29 N VAL A 3 16.686 23.148 5.156 1.00 0.00 N ATOM 30 CA VAL A 3 17.594 23.900 4.269 1.00 0.00 C ATOM 31 C VAL A 3 18.455 24.861 5.079 1.00 0.00 C ATOM 32 O VAL A 3 19.670 24.888 4.905 1.00 0.00 O ATOM 33 CB VAL A 3 16.832 24.626 3.139 1.00 0.00 C ATOM 34 CG1 VAL A 3 17.791 25.349 2.186 1.00 0.00 C ATOM 35 CG2 VAL A 3 16.016 23.637 2.295 1.00 0.00 C ATOM 0 H VAL A 3 15.699 23.358 5.005 1.00 0.00 H new ATOM 0 HA VAL A 3 18.254 23.182 3.782 1.00 0.00 H new ATOM 0 HB VAL A 3 16.176 25.344 3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 3 17.219 25.848 1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 3 18.368 26.088 2.742 1.00 0.00 H new ATOM 0 HG13 VAL A 3 18.469 24.625 1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 3 15.491 24.178 1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 3 16.685 22.903 1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 3 15.292 23.127 2.931 1.00 0.00 H new ATOM 45 N GLU A 4 17.887 25.556 6.064 1.00 0.00 N ATOM 46 CA GLU A 4 18.613 26.497 6.931 1.00 0.00 C ATOM 47 C GLU A 4 19.453 25.805 8.030 1.00 0.00 C ATOM 48 O GLU A 4 19.809 26.421 9.040 1.00 0.00 O ATOM 49 CB GLU A 4 17.650 27.552 7.500 1.00 0.00 C ATOM 50 CG GLU A 4 16.847 28.334 6.446 1.00 0.00 C ATOM 51 CD GLU A 4 17.750 29.195 5.543 1.00 0.00 C ATOM 52 OE1 GLU A 4 18.153 30.306 5.962 1.00 0.00 O ATOM 53 OE2 GLU A 4 18.044 28.775 4.397 1.00 0.00 O ATOM 0 H GLU A 4 16.895 25.483 6.289 1.00 0.00 H new ATOM 0 HA GLU A 4 19.346 27.007 6.306 1.00 0.00 H new ATOM 0 HB2 GLU A 4 16.951 27.058 8.175 1.00 0.00 H new ATOM 0 HB3 GLU A 4 18.223 28.261 8.098 1.00 0.00 H new ATOM 0 HG2 GLU A 4 16.282 27.634 5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 4 16.121 28.975 6.947 1.00 0.00 H new ATOM 60 N GLN A 5 19.774 24.520 7.845 1.00 0.00 N ATOM 61 CA GLN A 5 20.739 23.754 8.633 1.00 0.00 C ATOM 62 C GLN A 5 21.851 23.175 7.740 1.00 0.00 C ATOM 63 O GLN A 5 23.029 23.327 8.060 1.00 0.00 O ATOM 64 CB GLN A 5 20.001 22.649 9.408 1.00 0.00 C ATOM 65 CG GLN A 5 19.014 23.155 10.474 1.00 0.00 C ATOM 66 CD GLN A 5 19.698 23.833 11.661 1.00 0.00 C ATOM 67 OE1 GLN A 5 19.970 23.218 12.686 1.00 0.00 O ATOM 68 NE2 GLN A 5 20.013 25.106 11.587 1.00 0.00 N ATOM 0 H GLN A 5 19.346 23.962 7.106 1.00 0.00 H new ATOM 0 HA GLN A 5 21.224 24.418 9.349 1.00 0.00 H new ATOM 0 HB2 GLN A 5 19.458 22.027 8.697 1.00 0.00 H new ATOM 0 HB3 GLN A 5 20.739 22.009 9.892 1.00 0.00 H new ATOM 0 HG2 GLN A 5 18.322 23.859 10.012 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.421 22.316 10.837 1.00 0.00 H new ATOM 0 HE21 GLN A 5 19.796 25.637 10.744 1.00 0.00 H new ATOM 0 HE22 GLN A 5 20.475 25.564 12.373 1.00 0.00 H new ATOM 77 N CYS A 6 21.506 22.565 6.598 1.00 0.00 N ATOM 78 CA CYS A 6 22.482 21.945 5.686 1.00 0.00 C ATOM 79 C CYS A 6 22.982 22.860 4.555 1.00 0.00 C ATOM 80 O CYS A 6 23.997 22.557 3.923 1.00 0.00 O ATOM 81 CB CYS A 6 21.909 20.635 5.146 1.00 0.00 C ATOM 82 SG CYS A 6 21.526 19.406 6.425 1.00 0.00 S ATOM 0 H CYS A 6 20.541 22.486 6.278 1.00 0.00 H new ATOM 0 HA CYS A 6 23.377 21.746 6.275 1.00 0.00 H new ATOM 0 HB2 CYS A 6 21.001 20.853 4.584 1.00 0.00 H new ATOM 0 HB3 CYS A 6 22.622 20.202 4.444 1.00 0.00 H new ATOM 87 N CYS A 7 22.313 23.988 4.307 1.00 0.00 N ATOM 88 CA CYS A 7 22.775 25.029 3.385 1.00 0.00 C ATOM 89 C CYS A 7 23.623 26.107 4.103 1.00 0.00 C ATOM 90 O CYS A 7 24.362 26.854 3.465 1.00 0.00 O ATOM 91 CB CYS A 7 21.536 25.603 2.681 1.00 0.00 C ATOM 92 SG CYS A 7 21.853 26.578 1.189 1.00 0.00 S ATOM 0 H CYS A 7 21.420 24.208 4.748 1.00 0.00 H new ATOM 0 HA CYS A 7 23.449 24.607 2.640 1.00 0.00 H new ATOM 0 HB2 CYS A 7 20.876 24.776 2.418 1.00 0.00 H new ATOM 0 HB3 CYS A 7 20.995 26.228 3.392 1.00 0.00 H new ATOM 97 N THR A 8 23.540 26.168 5.439 1.00 0.00 N ATOM 98 CA THR A 8 24.229 27.130 6.325 1.00 0.00 C ATOM 99 C THR A 8 25.442 26.518 7.038 1.00 0.00 C ATOM 100 O THR A 8 26.496 27.157 7.123 1.00 0.00 O ATOM 101 CB THR A 8 23.243 27.669 7.372 1.00 0.00 C ATOM 102 OG1 THR A 8 22.582 26.591 7.993 1.00 0.00 O ATOM 103 CG2 THR A 8 22.170 28.557 6.744 1.00 0.00 C ATOM 0 H THR A 8 22.960 25.514 5.964 1.00 0.00 H new ATOM 0 HA THR A 8 24.596 27.938 5.692 1.00 0.00 H new ATOM 0 HB THR A 8 23.823 28.255 8.086 1.00 0.00 H new ATOM 0 HG1 THR A 8 22.076 26.919 8.766 1.00 0.00 H new ATOM 0 HG21 THR A 8 21.495 28.916 7.521 1.00 0.00 H new ATOM 0 HG22 THR A 8 22.643 29.407 6.253 1.00 0.00 H new ATOM 0 HG23 THR A 8 21.606 27.982 6.010 1.00 0.00 H new ATOM 111 N SER A 9 25.325 25.266 7.488 1.00 0.00 N ATOM 112 CA SER A 9 26.403 24.405 8.009 1.00 0.00 C ATOM 113 C SER A 9 26.547 23.160 7.122 1.00 0.00 C ATOM 114 O SER A 9 25.714 22.919 6.246 1.00 0.00 O ATOM 115 CB SER A 9 26.117 24.007 9.466 1.00 0.00 C ATOM 116 OG SER A 9 26.147 25.152 10.309 1.00 0.00 O ATOM 0 H SER A 9 24.422 24.792 7.501 1.00 0.00 H new ATOM 0 HA SER A 9 27.342 24.959 7.990 1.00 0.00 H new ATOM 0 HB2 SER A 9 25.142 23.524 9.533 1.00 0.00 H new ATOM 0 HB3 SER A 9 26.856 23.280 9.803 1.00 0.00 H new ATOM 0 HG SER A 9 25.961 24.883 11.233 1.00 0.00 H new ATOM 122 N ILE A 10 27.615 22.371 7.285 1.00 0.00 N ATOM 123 CA ILE A 10 27.785 21.109 6.536 1.00 0.00 C ATOM 124 C ILE A 10 26.892 19.994 7.114 1.00 0.00 C ATOM 125 O ILE A 10 26.560 20.015 8.301 1.00 0.00 O ATOM 126 CB ILE A 10 29.274 20.705 6.405 1.00 0.00 C ATOM 127 CG1 ILE A 10 29.973 20.284 7.719 1.00 0.00 C ATOM 128 CG2 ILE A 10 30.069 21.852 5.753 1.00 0.00 C ATOM 129 CD1 ILE A 10 29.832 18.793 8.057 1.00 0.00 C ATOM 0 H ILE A 10 28.378 22.580 7.928 1.00 0.00 H new ATOM 0 HA ILE A 10 27.443 21.276 5.515 1.00 0.00 H new ATOM 0 HB ILE A 10 29.266 19.811 5.782 1.00 0.00 H new ATOM 0 HG12 ILE A 10 31.032 20.531 7.649 1.00 0.00 H new ATOM 0 HG13 ILE A 10 29.563 20.872 8.540 1.00 0.00 H new ATOM 0 HG21 ILE A 10 31.116 21.563 5.663 1.00 0.00 H new ATOM 0 HG22 ILE A 10 29.663 22.059 4.763 1.00 0.00 H new ATOM 0 HG23 ILE A 10 29.991 22.746 6.371 1.00 0.00 H new ATOM 0 HD11 ILE A 10 30.350 18.581 8.992 1.00 0.00 H new ATOM 0 HD12 ILE A 10 28.777 18.542 8.162 1.00 0.00 H new ATOM 0 HD13 ILE A 10 30.269 18.196 7.257 1.00 0.00 H new ATOM 141 N CYS A 11 26.517 19.016 6.283 1.00 0.00 N ATOM 142 CA CYS A 11 25.709 17.853 6.683 1.00 0.00 C ATOM 143 C CYS A 11 26.239 16.534 6.097 1.00 0.00 C ATOM 144 O CYS A 11 26.866 16.516 5.037 1.00 0.00 O ATOM 145 CB CYS A 11 24.241 18.058 6.284 1.00 0.00 C ATOM 146 SG CYS A 11 23.313 19.165 7.372 1.00 0.00 S ATOM 0 H CYS A 11 26.770 19.008 5.295 1.00 0.00 H new ATOM 0 HA CYS A 11 25.783 17.775 7.768 1.00 0.00 H new ATOM 0 HB2 CYS A 11 24.206 18.454 5.269 1.00 0.00 H new ATOM 0 HB3 CYS A 11 23.744 17.088 6.265 1.00 0.00 H new ATOM 151 N SER A 12 25.923 15.429 6.778 1.00 0.00 N ATOM 152 CA SER A 12 26.264 14.052 6.394 1.00 0.00 C ATOM 153 C SER A 12 25.012 13.193 6.240 1.00 0.00 C ATOM 154 O SER A 12 24.008 13.425 6.911 1.00 0.00 O ATOM 155 CB SER A 12 27.229 13.431 7.409 1.00 0.00 C ATOM 156 OG SER A 12 28.463 14.133 7.402 1.00 0.00 O ATOM 0 H SER A 12 25.399 15.469 7.652 1.00 0.00 H new ATOM 0 HA SER A 12 26.762 14.089 5.425 1.00 0.00 H new ATOM 0 HB2 SER A 12 26.790 13.462 8.406 1.00 0.00 H new ATOM 0 HB3 SER A 12 27.397 12.382 7.167 1.00 0.00 H new ATOM 0 HG SER A 12 29.072 13.730 8.055 1.00 0.00 H new ATOM 162 N LEU A 13 25.065 12.167 5.385 1.00 0.00 N ATOM 163 CA LEU A 13 23.898 11.346 5.017 1.00 0.00 C ATOM 164 C LEU A 13 23.188 10.718 6.232 1.00 0.00 C ATOM 165 O LEU A 13 21.959 10.705 6.276 1.00 0.00 O ATOM 166 CB LEU A 13 24.344 10.247 4.030 1.00 0.00 C ATOM 167 CG LEU A 13 24.866 10.750 2.671 1.00 0.00 C ATOM 168 CD1 LEU A 13 25.225 9.549 1.794 1.00 0.00 C ATOM 169 CD2 LEU A 13 23.850 11.606 1.913 1.00 0.00 C ATOM 0 H LEU A 13 25.926 11.877 4.922 1.00 0.00 H new ATOM 0 HA LEU A 13 23.169 12.007 4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 13 25.126 9.653 4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 13 23.501 9.579 3.851 1.00 0.00 H new ATOM 0 HG LEU A 13 25.735 11.374 2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 13 25.595 9.900 0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 13 25.997 8.957 2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 13 24.339 8.933 1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 13 24.281 11.928 0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 13 22.951 11.020 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 13 23.594 12.481 2.510 1.00 0.00 H new ATOM 181 N TYR A 14 23.940 10.303 7.257 1.00 0.00 N ATOM 182 CA TYR A 14 23.379 9.714 8.487 1.00 0.00 C ATOM 183 C TYR A 14 22.536 10.706 9.320 1.00 0.00 C ATOM 184 O TYR A 14 21.749 10.295 10.174 1.00 0.00 O ATOM 185 CB TYR A 14 24.504 9.086 9.325 1.00 0.00 C ATOM 186 CG TYR A 14 25.391 10.074 10.067 1.00 0.00 C ATOM 187 CD1 TYR A 14 24.990 10.561 11.326 1.00 0.00 C ATOM 188 CD2 TYR A 14 26.620 10.488 9.516 1.00 0.00 C ATOM 189 CE1 TYR A 14 25.802 11.479 12.024 1.00 0.00 C ATOM 190 CE2 TYR A 14 27.440 11.398 10.217 1.00 0.00 C ATOM 191 CZ TYR A 14 27.027 11.902 11.472 1.00 0.00 C ATOM 192 OH TYR A 14 27.790 12.808 12.143 1.00 0.00 O ATOM 0 H TYR A 14 24.958 10.364 7.261 1.00 0.00 H new ATOM 0 HA TYR A 14 22.681 8.935 8.179 1.00 0.00 H new ATOM 0 HB2 TYR A 14 24.058 8.407 10.052 1.00 0.00 H new ATOM 0 HB3 TYR A 14 25.131 8.483 8.668 1.00 0.00 H new ATOM 0 HD1 TYR A 14 24.057 10.230 11.759 1.00 0.00 H new ATOM 0 HD2 TYR A 14 26.935 10.108 8.555 1.00 0.00 H new ATOM 0 HE1 TYR A 14 25.484 11.858 12.984 1.00 0.00 H new ATOM 0 HE2 TYR A 14 28.384 11.710 9.795 1.00 0.00 H new ATOM 0 HH TYR A 14 28.604 12.995 11.629 1.00 0.00 H new ATOM 202 N GLN A 15 22.674 12.010 9.059 1.00 0.00 N ATOM 203 CA GLN A 15 21.892 13.102 9.653 1.00 0.00 C ATOM 204 C GLN A 15 20.639 13.418 8.810 1.00 0.00 C ATOM 205 O GLN A 15 19.650 13.924 9.338 1.00 0.00 O ATOM 206 CB GLN A 15 22.783 14.355 9.766 1.00 0.00 C ATOM 207 CG GLN A 15 24.128 14.118 10.485 1.00 0.00 C ATOM 208 CD GLN A 15 25.105 15.285 10.347 1.00 0.00 C ATOM 209 OE1 GLN A 15 24.938 16.198 9.551 1.00 0.00 O ATOM 210 NE2 GLN A 15 26.198 15.280 11.079 1.00 0.00 N ATOM 0 H GLN A 15 23.369 12.351 8.394 1.00 0.00 H new ATOM 0 HA GLN A 15 21.556 12.793 10.643 1.00 0.00 H new ATOM 0 HB2 GLN A 15 22.983 14.736 8.764 1.00 0.00 H new ATOM 0 HB3 GLN A 15 22.232 15.131 10.298 1.00 0.00 H new ATOM 0 HG2 GLN A 15 23.939 13.936 11.543 1.00 0.00 H new ATOM 0 HG3 GLN A 15 24.592 13.217 10.084 1.00 0.00 H new ATOM 0 HE21 GLN A 15 26.359 14.529 11.750 1.00 0.00 H new ATOM 0 HE22 GLN A 15 26.884 16.027 10.976 1.00 0.00 H new ATOM 219 N LEU A 16 20.665 13.106 7.507 1.00 0.00 N ATOM 220 CA LEU A 16 19.574 13.383 6.568 1.00 0.00 C ATOM 221 C LEU A 16 18.453 12.331 6.623 1.00 0.00 C ATOM 222 O LEU A 16 17.287 12.680 6.459 1.00 0.00 O ATOM 223 CB LEU A 16 20.131 13.516 5.141 1.00 0.00 C ATOM 224 CG LEU A 16 21.137 14.658 4.918 1.00 0.00 C ATOM 225 CD1 LEU A 16 21.445 14.737 3.424 1.00 0.00 C ATOM 226 CD2 LEU A 16 20.614 16.021 5.370 1.00 0.00 C ATOM 0 H LEU A 16 21.462 12.645 7.069 1.00 0.00 H new ATOM 0 HA LEU A 16 19.120 14.327 6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 16 20.612 12.576 4.870 1.00 0.00 H new ATOM 0 HB3 LEU A 16 19.294 13.655 4.456 1.00 0.00 H new ATOM 0 HG LEU A 16 22.021 14.434 5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 16 22.158 15.541 3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 16 21.872 13.791 3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 16 20.526 14.935 2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 16 21.373 16.781 5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 16 19.710 16.267 4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 16 20.386 15.988 6.435 1.00 0.00 H new ATOM 238 N GLU A 17 18.766 11.070 6.933 1.00 0.00 N ATOM 239 CA GLU A 17 17.758 10.005 7.098 1.00 0.00 C ATOM 240 C GLU A 17 16.751 10.279 8.238 1.00 0.00 C ATOM 241 O GLU A 17 15.649 9.726 8.230 1.00 0.00 O ATOM 242 CB GLU A 17 18.423 8.626 7.257 1.00 0.00 C ATOM 243 CG GLU A 17 19.591 8.603 8.247 1.00 0.00 C ATOM 244 CD GLU A 17 19.965 7.162 8.649 1.00 0.00 C ATOM 245 OE1 GLU A 17 19.259 6.570 9.502 1.00 0.00 O ATOM 246 OE2 GLU A 17 20.962 6.614 8.122 1.00 0.00 O ATOM 0 H GLU A 17 19.725 10.753 7.078 1.00 0.00 H new ATOM 0 HA GLU A 17 17.173 10.001 6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 17 17.671 7.908 7.583 1.00 0.00 H new ATOM 0 HB3 GLU A 17 18.781 8.293 6.283 1.00 0.00 H new ATOM 0 HG2 GLU A 17 20.456 9.093 7.801 1.00 0.00 H new ATOM 0 HG3 GLU A 17 19.325 9.173 9.138 1.00 0.00 H new ATOM 253 N ASN A 18 17.071 11.186 9.169 1.00 0.00 N ATOM 254 CA ASN A 18 16.146 11.705 10.179 1.00 0.00 C ATOM 255 C ASN A 18 14.878 12.343 9.558 1.00 0.00 C ATOM 256 O ASN A 18 13.784 12.240 10.115 1.00 0.00 O ATOM 257 CB ASN A 18 16.927 12.741 11.010 1.00 0.00 C ATOM 258 CG ASN A 18 16.137 13.304 12.181 1.00 0.00 C ATOM 259 OD1 ASN A 18 15.403 12.609 12.873 1.00 0.00 O ATOM 260 ND2 ASN A 18 16.283 14.579 12.459 1.00 0.00 N ATOM 0 H ASN A 18 18.005 11.589 9.241 1.00 0.00 H new ATOM 0 HA ASN A 18 15.786 10.884 10.799 1.00 0.00 H new ATOM 0 HB2 ASN A 18 17.839 12.279 11.387 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.231 13.561 10.360 1.00 0.00 H new ATOM 0 HD21 ASN A 18 15.786 14.989 13.250 1.00 0.00 H new ATOM 0 HD22 ASN A 18 16.894 15.160 11.884 1.00 0.00 H new ATOM 267 N TYR A 19 15.007 12.972 8.382 1.00 0.00 N ATOM 268 CA TYR A 19 13.929 13.705 7.705 1.00 0.00 C ATOM 269 C TYR A 19 13.039 12.824 6.811 1.00 0.00 C ATOM 270 O TYR A 19 12.005 13.285 6.329 1.00 0.00 O ATOM 271 CB TYR A 19 14.538 14.890 6.942 1.00 0.00 C ATOM 272 CG TYR A 19 15.231 15.876 7.865 1.00 0.00 C ATOM 273 CD1 TYR A 19 14.487 16.878 8.519 1.00 0.00 C ATOM 274 CD2 TYR A 19 16.618 15.780 8.093 1.00 0.00 C ATOM 275 CE1 TYR A 19 15.121 17.777 9.400 1.00 0.00 C ATOM 276 CE2 TYR A 19 17.257 16.671 8.979 1.00 0.00 C ATOM 277 CZ TYR A 19 16.512 17.675 9.631 1.00 0.00 C ATOM 278 OH TYR A 19 17.135 18.531 10.485 1.00 0.00 O ATOM 0 H TYR A 19 15.885 12.985 7.863 1.00 0.00 H new ATOM 0 HA TYR A 19 13.246 14.076 8.469 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.254 14.518 6.209 1.00 0.00 H new ATOM 0 HB3 TYR A 19 13.753 15.405 6.388 1.00 0.00 H new ATOM 0 HD1 TYR A 19 13.424 16.958 8.344 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.194 15.020 7.586 1.00 0.00 H new ATOM 0 HE1 TYR A 19 14.545 18.543 9.898 1.00 0.00 H new ATOM 0 HE2 TYR A 19 18.318 16.585 9.159 1.00 0.00 H new ATOM 0 HH TYR A 19 18.090 18.316 10.525 1.00 0.00 H new ATOM 288 N CYS A 20 13.380 11.544 6.634 1.00 0.00 N ATOM 289 CA CYS A 20 12.555 10.561 5.915 1.00 0.00 C ATOM 290 C CYS A 20 11.285 10.133 6.687 1.00 0.00 C ATOM 291 O CYS A 20 10.398 9.502 6.107 1.00 0.00 O ATOM 292 CB CYS A 20 13.430 9.345 5.590 1.00 0.00 C ATOM 293 SG CYS A 20 14.874 9.741 4.576 1.00 0.00 S ATOM 0 H CYS A 20 14.251 11.152 6.991 1.00 0.00 H new ATOM 0 HA CYS A 20 12.190 11.033 5.003 1.00 0.00 H new ATOM 0 HB2 CYS A 20 13.765 8.890 6.522 1.00 0.00 H new ATOM 0 HB3 CYS A 20 12.825 8.601 5.071 1.00 0.00 H new ATOM 298 N ASN A 21 11.188 10.476 7.979 1.00 0.00 N ATOM 299 CA ASN A 21 10.118 10.075 8.903 1.00 0.00 C ATOM 300 C ASN A 21 9.918 8.541 8.952 1.00 0.00 C ATOM 301 O ASN A 21 8.803 8.028 8.806 1.00 0.00 O ATOM 302 CB ASN A 21 8.849 10.899 8.610 1.00 0.00 C ATOM 303 CG ASN A 21 7.786 10.785 9.697 1.00 0.00 C ATOM 304 OD1 ASN A 21 8.028 10.370 10.824 1.00 0.00 O ATOM 305 ND2 ASN A 21 6.567 11.184 9.407 1.00 0.00 N ATOM 0 H ASN A 21 11.886 11.068 8.429 1.00 0.00 H new ATOM 0 HA ASN A 21 10.410 10.314 9.926 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.125 11.947 8.491 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.424 10.572 7.661 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.836 11.146 10.117 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.353 11.532 8.472 1.00 0.00 H new ATOM 312 N GLY A 22 11.031 7.807 9.116 1.00 0.00 N ATOM 313 CA GLY A 22 11.108 6.339 9.019 1.00 0.00 C ATOM 314 C GLY A 22 11.050 5.845 7.575 1.00 0.00 C ATOM 315 O GLY A 22 10.302 4.884 7.296 1.00 0.00 O ATOM 316 OXT GLY A 22 11.760 6.406 6.716 1.00 0.00 O ATOM 0 H GLY A 22 11.933 8.234 9.327 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.034 5.996 9.480 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.287 5.897 9.584 1.00 0.00 H new TER 320 GLY A 22 ATOM 321 N PHE B 101 31.542 10.768 4.439 1.00 0.00 N ATOM 322 CA PHE B 101 30.863 11.719 3.524 1.00 0.00 C ATOM 323 C PHE B 101 31.634 13.045 3.439 1.00 0.00 C ATOM 324 O PHE B 101 32.483 13.327 4.288 1.00 0.00 O ATOM 325 CB PHE B 101 29.390 11.929 3.932 1.00 0.00 C ATOM 326 CG PHE B 101 28.553 12.658 2.893 1.00 0.00 C ATOM 327 CD1 PHE B 101 28.169 12.004 1.704 1.00 0.00 C ATOM 328 CD2 PHE B 101 28.169 13.997 3.100 1.00 0.00 C ATOM 329 CE1 PHE B 101 27.396 12.681 0.742 1.00 0.00 C ATOM 330 CE2 PHE B 101 27.392 14.671 2.141 1.00 0.00 C ATOM 331 CZ PHE B 101 27.003 14.013 0.961 1.00 0.00 C ATOM 0 HA PHE B 101 30.857 11.285 2.524 1.00 0.00 H new ATOM 0 HB2 PHE B 101 28.938 10.957 4.130 1.00 0.00 H new ATOM 0 HB3 PHE B 101 29.360 12.491 4.866 1.00 0.00 H new ATOM 0 HD1 PHE B 101 28.469 10.981 1.531 1.00 0.00 H new ATOM 0 HD2 PHE B 101 28.473 14.509 4.001 1.00 0.00 H new ATOM 0 HE1 PHE B 101 27.104 12.176 -0.167 1.00 0.00 H new ATOM 0 HE2 PHE B 101 27.094 15.695 2.311 1.00 0.00 H new ATOM 0 HZ PHE B 101 26.404 14.529 0.225 1.00 0.00 H new ATOM 343 N VAL B 102 31.372 13.860 2.410 1.00 0.00 N ATOM 344 CA VAL B 102 32.071 15.138 2.174 1.00 0.00 C ATOM 345 C VAL B 102 31.689 16.230 3.187 1.00 0.00 C ATOM 346 O VAL B 102 30.540 16.341 3.614 1.00 0.00 O ATOM 347 CB VAL B 102 31.863 15.645 0.730 1.00 0.00 C ATOM 348 CG1 VAL B 102 32.556 14.717 -0.275 1.00 0.00 C ATOM 349 CG2 VAL B 102 30.390 15.793 0.326 1.00 0.00 C ATOM 0 H VAL B 102 30.662 13.652 1.708 1.00 0.00 H new ATOM 0 HA VAL B 102 33.130 14.925 2.318 1.00 0.00 H new ATOM 0 HB VAL B 102 32.307 16.640 0.711 1.00 0.00 H new ATOM 0 HG11 VAL B 102 32.397 15.092 -1.286 1.00 0.00 H new ATOM 0 HG12 VAL B 102 33.625 14.685 -0.064 1.00 0.00 H new ATOM 0 HG13 VAL B 102 32.139 13.713 -0.191 1.00 0.00 H new ATOM 0 HG21 VAL B 102 30.329 16.153 -0.701 1.00 0.00 H new ATOM 0 HG22 VAL B 102 29.893 14.826 0.402 1.00 0.00 H new ATOM 0 HG23 VAL B 102 29.900 16.505 0.990 1.00 0.00 H new ATOM 359 N ASN B 103 32.654 17.085 3.541 1.00 0.00 N ATOM 360 CA ASN B 103 32.468 18.226 4.443 1.00 0.00 C ATOM 361 C ASN B 103 31.957 19.451 3.648 1.00 0.00 C ATOM 362 O ASN B 103 32.672 20.440 3.467 1.00 0.00 O ATOM 363 CB ASN B 103 33.786 18.452 5.212 1.00 0.00 C ATOM 364 CG ASN B 103 33.643 19.398 6.394 1.00 0.00 C ATOM 365 OD1 ASN B 103 33.528 18.984 7.538 1.00 0.00 O ATOM 366 ND2 ASN B 103 33.644 20.690 6.160 1.00 0.00 N ATOM 0 H ASN B 103 33.611 17.000 3.199 1.00 0.00 H new ATOM 0 HA ASN B 103 31.697 18.036 5.190 1.00 0.00 H new ATOM 0 HB2 ASN B 103 34.159 17.492 5.568 1.00 0.00 H new ATOM 0 HB3 ASN B 103 34.534 18.850 4.526 1.00 0.00 H new ATOM 0 HD21 ASN B 103 33.549 21.348 6.933 1.00 0.00 H new ATOM 0 HD22 ASN B 103 33.740 21.035 5.205 1.00 0.00 H new ATOM 373 N GLN B 104 30.740 19.349 3.106 1.00 0.00 N ATOM 374 CA GLN B 104 30.132 20.336 2.198 1.00 0.00 C ATOM 375 C GLN B 104 28.659 20.625 2.533 1.00 0.00 C ATOM 376 O GLN B 104 27.991 19.853 3.227 1.00 0.00 O ATOM 377 CB GLN B 104 30.276 19.865 0.738 1.00 0.00 C ATOM 378 CG GLN B 104 31.736 19.828 0.253 1.00 0.00 C ATOM 379 CD GLN B 104 31.842 19.486 -1.234 1.00 0.00 C ATOM 380 OE1 GLN B 104 32.119 18.362 -1.626 1.00 0.00 O ATOM 381 NE2 GLN B 104 31.616 20.436 -2.121 1.00 0.00 N ATOM 0 H GLN B 104 30.129 18.554 3.291 1.00 0.00 H new ATOM 0 HA GLN B 104 30.670 21.275 2.333 1.00 0.00 H new ATOM 0 HB2 GLN B 104 29.842 18.870 0.640 1.00 0.00 H new ATOM 0 HB3 GLN B 104 29.702 20.528 0.091 1.00 0.00 H new ATOM 0 HG2 GLN B 104 32.202 20.796 0.436 1.00 0.00 H new ATOM 0 HG3 GLN B 104 32.292 19.092 0.834 1.00 0.00 H new ATOM 0 HE21 GLN B 104 31.384 21.379 -1.810 1.00 0.00 H new ATOM 0 HE22 GLN B 104 31.674 20.227 -3.118 1.00 0.00 H new ATOM 390 N HIS B 105 28.152 21.749 2.022 1.00 0.00 N ATOM 391 CA HIS B 105 26.744 22.151 2.114 1.00 0.00 C ATOM 392 C HIS B 105 25.848 21.410 1.104 1.00 0.00 C ATOM 393 O HIS B 105 26.301 20.977 0.040 1.00 0.00 O ATOM 394 CB HIS B 105 26.629 23.669 1.902 1.00 0.00 C ATOM 395 CG HIS B 105 27.401 24.483 2.909 1.00 0.00 C ATOM 396 ND1 HIS B 105 27.176 24.516 4.266 1.00 0.00 N ATOM 397 CD2 HIS B 105 28.456 25.319 2.651 1.00 0.00 C ATOM 398 CE1 HIS B 105 28.075 25.351 4.815 1.00 0.00 C ATOM 399 NE2 HIS B 105 28.878 25.867 3.866 1.00 0.00 N ATOM 0 H HIS B 105 28.725 22.425 1.518 1.00 0.00 H new ATOM 0 HA HIS B 105 26.392 21.881 3.109 1.00 0.00 H new ATOM 0 HB2 HIS B 105 26.984 23.915 0.901 1.00 0.00 H new ATOM 0 HB3 HIS B 105 25.578 23.954 1.947 1.00 0.00 H new ATOM 0 HD1 HIS B 105 26.454 23.998 4.767 1.00 0.00 H new ATOM 0 HD2 HIS B 105 28.885 25.519 1.680 1.00 0.00 H new ATOM 0 HE1 HIS B 105 28.143 25.576 5.869 1.00 0.00 H new ATOM 407 N LEU B 106 24.556 21.330 1.427 1.00 0.00 N ATOM 408 CA LEU B 106 23.476 20.831 0.573 1.00 0.00 C ATOM 409 C LEU B 106 22.261 21.758 0.693 1.00 0.00 C ATOM 410 O LEU B 106 21.763 22.004 1.792 1.00 0.00 O ATOM 411 CB LEU B 106 23.110 19.394 0.993 1.00 0.00 C ATOM 412 CG LEU B 106 24.177 18.327 0.690 1.00 0.00 C ATOM 413 CD1 LEU B 106 23.792 17.024 1.386 1.00 0.00 C ATOM 414 CD2 LEU B 106 24.320 18.055 -0.807 1.00 0.00 C ATOM 0 H LEU B 106 24.216 21.628 2.341 1.00 0.00 H new ATOM 0 HA LEU B 106 23.802 20.816 -0.467 1.00 0.00 H new ATOM 0 HB2 LEU B 106 22.907 19.387 2.064 1.00 0.00 H new ATOM 0 HB3 LEU B 106 22.185 19.111 0.491 1.00 0.00 H new ATOM 0 HG LEU B 106 25.131 18.706 1.056 1.00 0.00 H new ATOM 0 HD11 LEU B 106 24.544 16.263 1.176 1.00 0.00 H new ATOM 0 HD12 LEU B 106 23.734 17.189 2.462 1.00 0.00 H new ATOM 0 HD13 LEU B 106 22.823 16.688 1.018 1.00 0.00 H new ATOM 0 HD21 LEU B 106 25.085 17.295 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU B 106 23.369 17.702 -1.205 1.00 0.00 H new ATOM 0 HD23 LEU B 106 24.609 18.974 -1.318 1.00 0.00 H new ATOM 426 N CYS B 107 21.767 22.253 -0.440 1.00 0.00 N ATOM 427 CA CYS B 107 20.683 23.237 -0.527 1.00 0.00 C ATOM 428 C CYS B 107 19.550 22.728 -1.436 1.00 0.00 C ATOM 429 O CYS B 107 19.817 22.086 -2.459 1.00 0.00 O ATOM 430 CB CYS B 107 21.260 24.557 -1.060 1.00 0.00 C ATOM 431 SG CYS B 107 22.666 25.261 -0.139 1.00 0.00 S ATOM 0 H CYS B 107 22.120 21.973 -1.355 1.00 0.00 H new ATOM 0 HA CYS B 107 20.256 23.397 0.463 1.00 0.00 H new ATOM 0 HB2 CYS B 107 21.573 24.400 -2.092 1.00 0.00 H new ATOM 0 HB3 CYS B 107 20.459 25.297 -1.078 1.00 0.00 H new ATOM 436 N GLY B 108 18.295 23.027 -1.084 1.00 0.00 N ATOM 437 CA GLY B 108 17.113 22.762 -1.919 1.00 0.00 C ATOM 438 C GLY B 108 17.037 21.326 -2.457 1.00 0.00 C ATOM 439 O GLY B 108 17.137 20.356 -1.701 1.00 0.00 O ATOM 0 H GLY B 108 18.065 23.469 -0.194 1.00 0.00 H new ATOM 0 HA2 GLY B 108 16.215 22.968 -1.336 1.00 0.00 H new ATOM 0 HA3 GLY B 108 17.113 23.455 -2.761 1.00 0.00 H new ATOM 443 N SER B 109 16.907 21.188 -3.776 1.00 0.00 N ATOM 444 CA SER B 109 16.779 19.897 -4.469 1.00 0.00 C ATOM 445 C SER B 109 17.965 18.944 -4.245 1.00 0.00 C ATOM 446 O SER B 109 17.761 17.733 -4.230 1.00 0.00 O ATOM 447 CB SER B 109 16.615 20.129 -5.976 1.00 0.00 C ATOM 448 OG SER B 109 15.529 21.005 -6.236 1.00 0.00 O ATOM 0 H SER B 109 16.887 21.986 -4.411 1.00 0.00 H new ATOM 0 HA SER B 109 15.899 19.418 -4.040 1.00 0.00 H new ATOM 0 HB2 SER B 109 17.533 20.549 -6.386 1.00 0.00 H new ATOM 0 HB3 SER B 109 16.448 19.177 -6.479 1.00 0.00 H new ATOM 0 HG SER B 109 15.443 21.141 -7.203 1.00 0.00 H new ATOM 454 N HIS B 110 19.185 19.454 -4.016 1.00 0.00 N ATOM 455 CA HIS B 110 20.357 18.618 -3.726 1.00 0.00 C ATOM 456 C HIS B 110 20.273 17.989 -2.325 1.00 0.00 C ATOM 457 O HIS B 110 20.656 16.836 -2.123 1.00 0.00 O ATOM 458 CB HIS B 110 21.633 19.465 -3.879 1.00 0.00 C ATOM 459 CG HIS B 110 22.913 18.688 -4.078 1.00 0.00 C ATOM 460 ND1 HIS B 110 24.175 19.239 -4.140 1.00 0.00 N ATOM 461 CD2 HIS B 110 23.056 17.336 -4.259 1.00 0.00 C ATOM 462 CE1 HIS B 110 25.058 18.240 -4.327 1.00 0.00 C ATOM 463 NE2 HIS B 110 24.421 17.059 -4.410 1.00 0.00 N ATOM 0 H HIS B 110 19.385 20.454 -4.027 1.00 0.00 H new ATOM 0 HA HIS B 110 20.384 17.794 -4.438 1.00 0.00 H new ATOM 0 HB2 HIS B 110 21.502 20.137 -4.727 1.00 0.00 H new ATOM 0 HB3 HIS B 110 21.742 20.089 -2.992 1.00 0.00 H new ATOM 0 HD2 HIS B 110 22.256 16.611 -4.281 1.00 0.00 H new ATOM 0 HE1 HIS B 110 26.128 18.369 -4.400 1.00 0.00 H new ATOM 0 HE2 HIS B 110 24.847 16.143 -4.554 1.00 0.00 H new ATOM 471 N LEU B 111 19.705 18.728 -1.368 1.00 0.00 N ATOM 472 CA LEU B 111 19.431 18.275 -0.004 1.00 0.00 C ATOM 473 C LEU B 111 18.331 17.196 0.000 1.00 0.00 C ATOM 474 O LEU B 111 18.490 16.140 0.616 1.00 0.00 O ATOM 475 CB LEU B 111 19.039 19.519 0.821 1.00 0.00 C ATOM 476 CG LEU B 111 19.362 19.484 2.321 1.00 0.00 C ATOM 477 CD1 LEU B 111 18.732 20.721 2.959 1.00 0.00 C ATOM 478 CD2 LEU B 111 18.821 18.250 3.039 1.00 0.00 C ATOM 0 H LEU B 111 19.413 19.692 -1.529 1.00 0.00 H new ATOM 0 HA LEU B 111 20.310 17.807 0.441 1.00 0.00 H new ATOM 0 HB2 LEU B 111 19.537 20.386 0.386 1.00 0.00 H new ATOM 0 HB3 LEU B 111 17.967 19.678 0.708 1.00 0.00 H new ATOM 0 HG LEU B 111 20.447 19.457 2.420 1.00 0.00 H new ATOM 0 HD11 LEU B 111 18.943 20.727 4.028 1.00 0.00 H new ATOM 0 HD12 LEU B 111 19.149 21.618 2.502 1.00 0.00 H new ATOM 0 HD13 LEU B 111 17.653 20.702 2.803 1.00 0.00 H new ATOM 0 HD21 LEU B 111 19.089 18.297 4.095 1.00 0.00 H new ATOM 0 HD22 LEU B 111 17.736 18.219 2.941 1.00 0.00 H new ATOM 0 HD23 LEU B 111 19.251 17.353 2.595 1.00 0.00 H new ATOM 490 N VAL B 112 17.249 17.429 -0.753 1.00 0.00 N ATOM 491 CA VAL B 112 16.164 16.445 -0.937 1.00 0.00 C ATOM 492 C VAL B 112 16.676 15.187 -1.647 1.00 0.00 C ATOM 493 O VAL B 112 16.403 14.079 -1.195 1.00 0.00 O ATOM 494 CB VAL B 112 14.956 17.063 -1.669 1.00 0.00 C ATOM 495 CG1 VAL B 112 13.838 16.042 -1.903 1.00 0.00 C ATOM 496 CG2 VAL B 112 14.349 18.211 -0.851 1.00 0.00 C ATOM 0 H VAL B 112 17.097 18.304 -1.254 1.00 0.00 H new ATOM 0 HA VAL B 112 15.817 16.145 0.052 1.00 0.00 H new ATOM 0 HB VAL B 112 15.338 17.420 -2.625 1.00 0.00 H new ATOM 0 HG11 VAL B 112 13.009 16.523 -2.421 1.00 0.00 H new ATOM 0 HG12 VAL B 112 14.217 15.220 -2.510 1.00 0.00 H new ATOM 0 HG13 VAL B 112 13.492 15.656 -0.944 1.00 0.00 H new ATOM 0 HG21 VAL B 112 13.499 18.631 -1.388 1.00 0.00 H new ATOM 0 HG22 VAL B 112 14.017 17.833 0.116 1.00 0.00 H new ATOM 0 HG23 VAL B 112 15.100 18.986 -0.699 1.00 0.00 H new ATOM 506 N GLU B 113 17.494 15.320 -2.696 1.00 0.00 N ATOM 507 CA GLU B 113 18.104 14.174 -3.380 1.00 0.00 C ATOM 508 C GLU B 113 19.005 13.356 -2.438 1.00 0.00 C ATOM 509 O GLU B 113 18.923 12.130 -2.429 1.00 0.00 O ATOM 510 CB GLU B 113 18.869 14.663 -4.619 1.00 0.00 C ATOM 511 CG GLU B 113 19.427 13.503 -5.454 1.00 0.00 C ATOM 512 CD GLU B 113 20.032 14.017 -6.771 1.00 0.00 C ATOM 513 OE1 GLU B 113 21.241 14.358 -6.797 1.00 0.00 O ATOM 514 OE2 GLU B 113 19.306 14.086 -7.793 1.00 0.00 O ATOM 0 H GLU B 113 17.752 16.223 -3.095 1.00 0.00 H new ATOM 0 HA GLU B 113 17.311 13.500 -3.703 1.00 0.00 H new ATOM 0 HB2 GLU B 113 18.206 15.267 -5.238 1.00 0.00 H new ATOM 0 HB3 GLU B 113 19.689 15.309 -4.305 1.00 0.00 H new ATOM 0 HG2 GLU B 113 20.188 12.971 -4.883 1.00 0.00 H new ATOM 0 HG3 GLU B 113 18.632 12.789 -5.669 1.00 0.00 H new ATOM 521 N ALA B 114 19.802 14.007 -1.586 1.00 0.00 N ATOM 522 CA ALA B 114 20.645 13.316 -0.614 1.00 0.00 C ATOM 523 C ALA B 114 19.838 12.597 0.489 1.00 0.00 C ATOM 524 O ALA B 114 20.170 11.459 0.833 1.00 0.00 O ATOM 525 CB ALA B 114 21.640 14.319 -0.032 1.00 0.00 C ATOM 0 H ALA B 114 19.879 15.024 -1.553 1.00 0.00 H new ATOM 0 HA ALA B 114 21.183 12.520 -1.129 1.00 0.00 H new ATOM 0 HB1 ALA B 114 22.278 13.818 0.696 1.00 0.00 H new ATOM 0 HB2 ALA B 114 22.256 14.727 -0.833 1.00 0.00 H new ATOM 0 HB3 ALA B 114 21.097 15.128 0.457 1.00 0.00 H new ATOM 531 N LEU B 115 18.751 13.198 1.002 1.00 0.00 N ATOM 532 CA LEU B 115 17.873 12.529 1.978 1.00 0.00 C ATOM 533 C LEU B 115 17.058 11.384 1.339 1.00 0.00 C ATOM 534 O LEU B 115 16.781 10.382 1.994 1.00 0.00 O ATOM 535 CB LEU B 115 17.072 13.558 2.803 1.00 0.00 C ATOM 536 CG LEU B 115 15.690 13.997 2.290 1.00 0.00 C ATOM 537 CD1 LEU B 115 14.560 13.103 2.812 1.00 0.00 C ATOM 538 CD2 LEU B 115 15.404 15.426 2.751 1.00 0.00 C ATOM 0 H LEU B 115 18.459 14.144 0.758 1.00 0.00 H new ATOM 0 HA LEU B 115 18.487 12.013 2.716 1.00 0.00 H new ATOM 0 HB2 LEU B 115 16.939 13.148 3.804 1.00 0.00 H new ATOM 0 HB3 LEU B 115 17.687 14.452 2.904 1.00 0.00 H new ATOM 0 HG LEU B 115 15.719 13.923 1.203 1.00 0.00 H new ATOM 0 HD11 LEU B 115 13.606 13.456 2.420 1.00 0.00 H new ATOM 0 HD12 LEU B 115 14.728 12.076 2.486 1.00 0.00 H new ATOM 0 HD13 LEU B 115 14.541 13.140 3.901 1.00 0.00 H new ATOM 0 HD21 LEU B 115 14.425 15.737 2.387 1.00 0.00 H new ATOM 0 HD22 LEU B 115 15.416 15.466 3.840 1.00 0.00 H new ATOM 0 HD23 LEU B 115 16.167 16.096 2.355 1.00 0.00 H new ATOM 550 N TYR B 116 16.750 11.471 0.043 1.00 0.00 N ATOM 551 CA TYR B 116 16.195 10.362 -0.740 1.00 0.00 C ATOM 552 C TYR B 116 17.210 9.220 -0.885 1.00 0.00 C ATOM 553 O TYR B 116 16.872 8.075 -0.582 1.00 0.00 O ATOM 554 CB TYR B 116 15.705 10.850 -2.116 1.00 0.00 C ATOM 555 CG TYR B 116 14.215 11.145 -2.209 1.00 0.00 C ATOM 556 CD1 TYR B 116 13.639 12.210 -1.490 1.00 0.00 C ATOM 557 CD2 TYR B 116 13.398 10.339 -3.030 1.00 0.00 C ATOM 558 CE1 TYR B 116 12.256 12.469 -1.586 1.00 0.00 C ATOM 559 CE2 TYR B 116 12.016 10.589 -3.118 1.00 0.00 C ATOM 560 CZ TYR B 116 11.440 11.658 -2.401 1.00 0.00 C ATOM 561 OH TYR B 116 10.104 11.896 -2.492 1.00 0.00 O ATOM 0 H TYR B 116 16.880 12.324 -0.500 1.00 0.00 H new ATOM 0 HA TYR B 116 15.334 9.970 -0.198 1.00 0.00 H new ATOM 0 HB2 TYR B 116 16.255 11.754 -2.379 1.00 0.00 H new ATOM 0 HB3 TYR B 116 15.956 10.095 -2.861 1.00 0.00 H new ATOM 0 HD1 TYR B 116 14.260 12.832 -0.862 1.00 0.00 H new ATOM 0 HD2 TYR B 116 13.835 9.527 -3.593 1.00 0.00 H new ATOM 0 HE1 TYR B 116 11.821 13.290 -1.035 1.00 0.00 H new ATOM 0 HE2 TYR B 116 11.394 9.960 -3.737 1.00 0.00 H new ATOM 0 HH TYR B 116 9.698 11.253 -3.110 1.00 0.00 H new ATOM 571 N LEU B 117 18.456 9.517 -1.279 1.00 0.00 N ATOM 572 CA LEU B 117 19.498 8.519 -1.544 1.00 0.00 C ATOM 573 C LEU B 117 19.878 7.705 -0.300 1.00 0.00 C ATOM 574 O LEU B 117 20.032 6.487 -0.401 1.00 0.00 O ATOM 575 CB LEU B 117 20.736 9.213 -2.142 1.00 0.00 C ATOM 576 CG LEU B 117 20.612 9.582 -3.633 1.00 0.00 C ATOM 577 CD1 LEU B 117 21.768 10.502 -4.028 1.00 0.00 C ATOM 578 CD2 LEU B 117 20.657 8.350 -4.540 1.00 0.00 C ATOM 0 H LEU B 117 18.772 10.476 -1.425 1.00 0.00 H new ATOM 0 HA LEU B 117 19.092 7.805 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU B 117 20.937 10.121 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU B 117 21.599 8.559 -2.014 1.00 0.00 H new ATOM 0 HG LEU B 117 19.648 10.075 -3.763 1.00 0.00 H new ATOM 0 HD11 LEU B 117 21.681 10.763 -5.083 1.00 0.00 H new ATOM 0 HD12 LEU B 117 21.733 11.409 -3.425 1.00 0.00 H new ATOM 0 HD13 LEU B 117 22.715 9.990 -3.858 1.00 0.00 H new ATOM 0 HD21 LEU B 117 20.566 8.661 -5.581 1.00 0.00 H new ATOM 0 HD22 LEU B 117 21.604 7.828 -4.399 1.00 0.00 H new ATOM 0 HD23 LEU B 117 19.833 7.682 -4.288 1.00 0.00 H new ATOM 590 N VAL B 118 19.978 8.327 0.884 1.00 0.00 N ATOM 591 CA VAL B 118 20.258 7.586 2.134 1.00 0.00 C ATOM 592 C VAL B 118 19.094 6.670 2.549 1.00 0.00 C ATOM 593 O VAL B 118 19.325 5.600 3.117 1.00 0.00 O ATOM 594 CB VAL B 118 20.698 8.534 3.270 1.00 0.00 C ATOM 595 CG1 VAL B 118 19.589 9.481 3.725 1.00 0.00 C ATOM 596 CG2 VAL B 118 21.247 7.756 4.467 1.00 0.00 C ATOM 0 H VAL B 118 19.871 9.334 1.008 1.00 0.00 H new ATOM 0 HA VAL B 118 21.100 6.925 1.929 1.00 0.00 H new ATOM 0 HB VAL B 118 21.494 9.148 2.849 1.00 0.00 H new ATOM 0 HG11 VAL B 118 19.962 10.121 4.525 1.00 0.00 H new ATOM 0 HG12 VAL B 118 19.271 10.099 2.885 1.00 0.00 H new ATOM 0 HG13 VAL B 118 18.742 8.900 4.090 1.00 0.00 H new ATOM 0 HG21 VAL B 118 21.547 8.454 5.248 1.00 0.00 H new ATOM 0 HG22 VAL B 118 20.475 7.090 4.853 1.00 0.00 H new ATOM 0 HG23 VAL B 118 22.110 7.168 4.154 1.00 0.00 H new ATOM 606 N CYS B 119 17.855 7.036 2.200 1.00 0.00 N ATOM 607 CA CYS B 119 16.646 6.251 2.484 1.00 0.00 C ATOM 608 C CYS B 119 16.232 5.304 1.332 1.00 0.00 C ATOM 609 O CYS B 119 15.163 4.689 1.382 1.00 0.00 O ATOM 610 CB CYS B 119 15.547 7.214 2.948 1.00 0.00 C ATOM 611 SG CYS B 119 15.958 8.017 4.524 1.00 0.00 S ATOM 0 H CYS B 119 17.660 7.904 1.702 1.00 0.00 H new ATOM 0 HA CYS B 119 16.852 5.550 3.293 1.00 0.00 H new ATOM 0 HB2 CYS B 119 15.388 7.976 2.185 1.00 0.00 H new ATOM 0 HB3 CYS B 119 14.609 6.668 3.054 1.00 0.00 H new ATOM 616 N GLY B 120 17.087 5.121 0.316 1.00 0.00 N ATOM 617 CA GLY B 120 16.895 4.196 -0.807 1.00 0.00 C ATOM 618 C GLY B 120 16.150 4.832 -1.987 1.00 0.00 C ATOM 619 O GLY B 120 16.655 5.759 -2.621 1.00 0.00 O ATOM 0 H GLY B 120 17.966 5.634 0.253 1.00 0.00 H new ATOM 0 HA2 GLY B 120 17.867 3.840 -1.148 1.00 0.00 H new ATOM 0 HA3 GLY B 120 16.340 3.324 -0.461 1.00 0.00 H new ATOM 623 N GLU B 121 14.968 4.307 -2.325 1.00 0.00 N ATOM 624 CA GLU B 121 14.155 4.783 -3.460 1.00 0.00 C ATOM 625 C GLU B 121 13.308 6.029 -3.141 1.00 0.00 C ATOM 626 O GLU B 121 12.971 6.800 -4.045 1.00 0.00 O ATOM 627 CB GLU B 121 13.297 3.629 -4.006 1.00 0.00 C ATOM 628 CG GLU B 121 12.202 3.140 -3.042 1.00 0.00 C ATOM 629 CD GLU B 121 11.501 1.889 -3.607 1.00 0.00 C ATOM 630 OE1 GLU B 121 10.587 2.033 -4.456 1.00 0.00 O ATOM 631 OE2 GLU B 121 11.856 0.754 -3.206 1.00 0.00 O ATOM 0 H GLU B 121 14.541 3.533 -1.817 1.00 0.00 H new ATOM 0 HA GLU B 121 14.848 5.112 -4.234 1.00 0.00 H new ATOM 0 HB2 GLU B 121 12.828 3.950 -4.936 1.00 0.00 H new ATOM 0 HB3 GLU B 121 13.950 2.791 -4.250 1.00 0.00 H new ATOM 0 HG2 GLU B 121 12.641 2.910 -2.071 1.00 0.00 H new ATOM 0 HG3 GLU B 121 11.471 3.932 -2.882 1.00 0.00 H new ATOM 638 N ARG B 122 12.975 6.252 -1.859 1.00 0.00 N ATOM 639 CA ARG B 122 12.193 7.382 -1.358 1.00 0.00 C ATOM 640 C ARG B 122 12.822 7.987 -0.103 1.00 0.00 C ATOM 641 O ARG B 122 13.331 7.262 0.749 1.00 0.00 O ATOM 642 CB ARG B 122 10.734 6.932 -1.150 1.00 0.00 C ATOM 643 CG ARG B 122 10.477 5.920 -0.018 1.00 0.00 C ATOM 644 CD ARG B 122 10.136 6.599 1.315 1.00 0.00 C ATOM 645 NE ARG B 122 9.984 5.608 2.392 1.00 0.00 N ATOM 646 CZ ARG B 122 10.327 5.757 3.662 1.00 0.00 C ATOM 647 NH1 ARG B 122 10.851 6.844 4.143 1.00 0.00 N ATOM 648 NH2 ARG B 122 10.138 4.785 4.503 1.00 0.00 N ATOM 0 H ARG B 122 13.259 5.617 -1.113 1.00 0.00 H new ATOM 0 HA ARG B 122 12.194 8.185 -2.095 1.00 0.00 H new ATOM 0 HB2 ARG B 122 10.129 7.818 -0.958 1.00 0.00 H new ATOM 0 HB3 ARG B 122 10.376 6.497 -2.083 1.00 0.00 H new ATOM 0 HG2 ARG B 122 9.659 5.260 -0.305 1.00 0.00 H new ATOM 0 HG3 ARG B 122 11.360 5.295 0.113 1.00 0.00 H new ATOM 0 HD2 ARG B 122 10.922 7.307 1.577 1.00 0.00 H new ATOM 0 HD3 ARG B 122 9.214 7.170 1.210 1.00 0.00 H new ATOM 0 HE ARG B 122 9.571 4.712 2.133 1.00 0.00 H new ATOM 0 HH11 ARG B 122 11.019 7.643 3.532 1.00 0.00 H new ATOM 0 HH12 ARG B 122 11.095 6.898 5.132 1.00 0.00 H new ATOM 0 HH21 ARG B 122 9.726 3.908 4.185 1.00 0.00 H new ATOM 0 HH22 ARG B 122 10.402 4.899 5.482 1.00 0.00 H new ATOM 662 N GLY B 123 12.754 9.310 0.022 1.00 0.00 N ATOM 663 CA GLY B 123 13.109 10.053 1.233 1.00 0.00 C ATOM 664 C GLY B 123 11.886 10.243 2.120 1.00 0.00 C ATOM 665 O GLY B 123 11.561 9.382 2.939 1.00 0.00 O ATOM 0 H GLY B 123 12.441 9.915 -0.738 1.00 0.00 H new ATOM 0 HA2 GLY B 123 13.884 9.517 1.782 1.00 0.00 H new ATOM 0 HA3 GLY B 123 13.524 11.024 0.963 1.00 0.00 H new ATOM 669 N PHE B 124 11.178 11.353 1.898 1.00 0.00 N ATOM 670 CA PHE B 124 9.861 11.643 2.471 1.00 0.00 C ATOM 671 C PHE B 124 8.815 10.551 2.147 1.00 0.00 C ATOM 672 O PHE B 124 9.027 9.684 1.299 1.00 0.00 O ATOM 673 CB PHE B 124 9.374 12.996 1.914 1.00 0.00 C ATOM 674 CG PHE B 124 10.302 14.188 2.075 1.00 0.00 C ATOM 675 CD1 PHE B 124 10.892 14.478 3.322 1.00 0.00 C ATOM 676 CD2 PHE B 124 10.527 15.055 0.988 1.00 0.00 C ATOM 677 CE1 PHE B 124 11.689 15.627 3.480 1.00 0.00 C ATOM 678 CE2 PHE B 124 11.319 16.207 1.145 1.00 0.00 C ATOM 679 CZ PHE B 124 11.891 16.499 2.395 1.00 0.00 C ATOM 0 H PHE B 124 11.518 12.101 1.293 1.00 0.00 H new ATOM 0 HA PHE B 124 9.966 11.673 3.555 1.00 0.00 H new ATOM 0 HB2 PHE B 124 9.168 12.869 0.851 1.00 0.00 H new ATOM 0 HB3 PHE B 124 8.427 13.238 2.395 1.00 0.00 H new ATOM 0 HD1 PHE B 124 10.732 13.816 4.160 1.00 0.00 H new ATOM 0 HD2 PHE B 124 10.088 14.834 0.026 1.00 0.00 H new ATOM 0 HE1 PHE B 124 12.146 15.839 4.435 1.00 0.00 H new ATOM 0 HE2 PHE B 124 11.487 16.866 0.306 1.00 0.00 H new ATOM 0 HZ PHE B 124 12.485 17.392 2.522 1.00 0.00 H new ATOM 689 N PHE B 125 7.639 10.644 2.777 1.00 0.00 N ATOM 690 CA PHE B 125 6.477 9.776 2.509 1.00 0.00 C ATOM 691 C PHE B 125 5.859 9.956 1.100 1.00 0.00 C ATOM 692 O PHE B 125 4.990 9.174 0.703 1.00 0.00 O ATOM 693 CB PHE B 125 5.442 9.994 3.621 1.00 0.00 C ATOM 694 CG PHE B 125 4.935 11.420 3.750 1.00 0.00 C ATOM 695 CD1 PHE B 125 3.893 11.877 2.921 1.00 0.00 C ATOM 696 CD2 PHE B 125 5.511 12.295 4.694 1.00 0.00 C ATOM 697 CE1 PHE B 125 3.443 13.206 3.023 1.00 0.00 C ATOM 698 CE2 PHE B 125 5.059 13.622 4.796 1.00 0.00 C ATOM 699 CZ PHE B 125 4.028 14.081 3.956 1.00 0.00 C ATOM 0 H PHE B 125 7.460 11.338 3.503 1.00 0.00 H new ATOM 0 HA PHE B 125 6.825 8.743 2.513 1.00 0.00 H new ATOM 0 HB2 PHE B 125 4.592 9.336 3.440 1.00 0.00 H new ATOM 0 HB3 PHE B 125 5.882 9.693 4.572 1.00 0.00 H new ATOM 0 HD1 PHE B 125 3.439 11.207 2.206 1.00 0.00 H new ATOM 0 HD2 PHE B 125 6.302 11.944 5.341 1.00 0.00 H new ATOM 0 HE1 PHE B 125 2.646 13.555 2.383 1.00 0.00 H new ATOM 0 HE2 PHE B 125 5.503 14.290 5.519 1.00 0.00 H new ATOM 0 HZ PHE B 125 3.686 15.103 4.027 1.00 0.00 H new ATOM 709 N TYR B 126 6.303 10.963 0.337 1.00 0.00 N ATOM 710 CA TYR B 126 5.959 11.184 -1.072 1.00 0.00 C ATOM 711 C TYR B 126 6.569 10.120 -2.015 1.00 0.00 C ATOM 712 O TYR B 126 7.310 9.224 -1.602 1.00 0.00 O ATOM 713 CB TYR B 126 6.391 12.610 -1.467 1.00 0.00 C ATOM 714 CG TYR B 126 5.702 13.721 -0.686 1.00 0.00 C ATOM 715 CD1 TYR B 126 4.309 13.902 -0.811 1.00 0.00 C ATOM 716 CD2 TYR B 126 6.446 14.578 0.147 1.00 0.00 C ATOM 717 CE1 TYR B 126 3.662 14.934 -0.104 1.00 0.00 C ATOM 718 CE2 TYR B 126 5.803 15.607 0.863 1.00 0.00 C ATOM 719 CZ TYR B 126 4.408 15.788 0.741 1.00 0.00 C ATOM 720 OH TYR B 126 3.789 16.791 1.429 1.00 0.00 O ATOM 0 H TYR B 126 6.937 11.674 0.700 1.00 0.00 H new ATOM 0 HA TYR B 126 4.880 11.081 -1.184 1.00 0.00 H new ATOM 0 HB2 TYR B 126 7.468 12.701 -1.328 1.00 0.00 H new ATOM 0 HB3 TYR B 126 6.193 12.754 -2.529 1.00 0.00 H new ATOM 0 HD1 TYR B 126 3.736 13.247 -1.451 1.00 0.00 H new ATOM 0 HD2 TYR B 126 7.514 14.446 0.238 1.00 0.00 H new ATOM 0 HE1 TYR B 126 2.596 15.073 -0.207 1.00 0.00 H new ATOM 0 HE2 TYR B 126 6.377 16.258 1.506 1.00 0.00 H new ATOM 0 HH TYR B 126 4.451 17.279 1.962 1.00 0.00 H new ATOM 730 N THR B 127 6.220 10.206 -3.301 1.00 0.00 N ATOM 731 CA THR B 127 6.549 9.235 -4.360 1.00 0.00 C ATOM 732 C THR B 127 8.058 8.927 -4.458 1.00 0.00 C ATOM 733 O THR B 127 8.867 9.864 -4.412 1.00 0.00 O ATOM 734 CB THR B 127 6.062 9.766 -5.724 1.00 0.00 C ATOM 735 OG1 THR B 127 4.748 10.280 -5.600 1.00 0.00 O ATOM 736 CG2 THR B 127 6.008 8.691 -6.810 1.00 0.00 C ATOM 0 H THR B 127 5.673 10.991 -3.654 1.00 0.00 H new ATOM 0 HA THR B 127 6.042 8.307 -4.095 1.00 0.00 H new ATOM 0 HB THR B 127 6.784 10.529 -6.016 1.00 0.00 H new ATOM 0 HG1 THR B 127 4.445 10.617 -6.469 1.00 0.00 H new ATOM 0 HG21 THR B 127 5.657 9.133 -7.743 1.00 0.00 H new ATOM 0 HG22 THR B 127 7.004 8.273 -6.958 1.00 0.00 H new ATOM 0 HG23 THR B 127 5.324 7.899 -6.504 1.00 0.00 H new ATOM 744 N PRO B 128 8.462 7.652 -4.656 1.00 0.00 N ATOM 745 CA PRO B 128 9.844 7.277 -4.966 1.00 0.00 C ATOM 746 C PRO B 128 10.423 8.055 -6.152 1.00 0.00 C ATOM 747 O PRO B 128 9.728 8.331 -7.133 1.00 0.00 O ATOM 748 CB PRO B 128 9.818 5.770 -5.240 1.00 0.00 C ATOM 749 CG PRO B 128 8.627 5.290 -4.417 1.00 0.00 C ATOM 750 CD PRO B 128 7.645 6.451 -4.537 1.00 0.00 C ATOM 0 HA PRO B 128 10.500 7.525 -4.131 1.00 0.00 H new ATOM 0 HB2 PRO B 128 9.688 5.555 -6.301 1.00 0.00 H new ATOM 0 HB3 PRO B 128 10.744 5.287 -4.928 1.00 0.00 H new ATOM 0 HG2 PRO B 128 8.209 4.364 -4.812 1.00 0.00 H new ATOM 0 HG3 PRO B 128 8.903 5.099 -3.380 1.00 0.00 H new ATOM 0 HD2 PRO B 128 7.000 6.329 -5.407 1.00 0.00 H new ATOM 0 HD3 PRO B 128 6.995 6.505 -3.664 1.00 0.00 H new ATOM 758 N LYS B 129 11.696 8.456 -6.035 1.00 0.00 N ATOM 759 CA LYS B 129 12.420 9.355 -6.960 1.00 0.00 C ATOM 760 C LYS B 129 11.664 10.651 -7.338 1.00 0.00 C ATOM 761 O LYS B 129 11.964 11.266 -8.364 1.00 0.00 O ATOM 762 CB LYS B 129 12.921 8.561 -8.183 1.00 0.00 C ATOM 763 CG LYS B 129 13.793 7.349 -7.803 1.00 0.00 C ATOM 764 CD LYS B 129 14.341 6.654 -9.055 1.00 0.00 C ATOM 765 CE LYS B 129 15.185 5.432 -8.659 1.00 0.00 C ATOM 766 NZ LYS B 129 15.721 4.728 -9.853 1.00 0.00 N ATOM 0 H LYS B 129 12.282 8.151 -5.258 1.00 0.00 H new ATOM 0 HA LYS B 129 13.285 9.733 -6.414 1.00 0.00 H new ATOM 0 HB2 LYS B 129 12.063 8.217 -8.761 1.00 0.00 H new ATOM 0 HB3 LYS B 129 13.495 9.225 -8.829 1.00 0.00 H new ATOM 0 HG2 LYS B 129 14.620 7.675 -7.172 1.00 0.00 H new ATOM 0 HG3 LYS B 129 13.205 6.642 -7.218 1.00 0.00 H new ATOM 0 HD2 LYS B 129 13.517 6.343 -9.697 1.00 0.00 H new ATOM 0 HD3 LYS B 129 14.948 7.353 -9.631 1.00 0.00 H new ATOM 0 HE2 LYS B 129 16.011 5.750 -8.022 1.00 0.00 H new ATOM 0 HE3 LYS B 129 14.577 4.744 -8.072 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 16.285 3.909 -9.549 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 14.932 4.403 -10.448 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 16.321 5.378 -10.399 1.00 0.00 H new ATOM 780 N THR B 130 10.673 11.057 -6.535 1.00 0.00 N ATOM 781 CA THR B 130 9.784 12.228 -6.713 1.00 0.00 C ATOM 782 C THR B 130 8.891 12.199 -7.974 1.00 0.00 C ATOM 783 O THR B 130 8.102 13.122 -8.192 1.00 0.00 O ATOM 784 CB THR B 130 10.584 13.547 -6.583 1.00 0.00 C ATOM 785 OG1 THR B 130 11.601 13.449 -5.600 1.00 0.00 O ATOM 786 CG2 THR B 130 9.733 14.745 -6.160 1.00 0.00 C ATOM 0 H THR B 130 10.450 10.545 -5.682 1.00 0.00 H new ATOM 0 HA THR B 130 9.064 12.171 -5.896 1.00 0.00 H new ATOM 0 HB THR B 130 10.986 13.703 -7.584 1.00 0.00 H new ATOM 0 HG1 THR B 130 12.087 14.299 -5.546 1.00 0.00 H new ATOM 0 HG21 THR B 130 10.363 15.632 -6.090 1.00 0.00 H new ATOM 0 HG22 THR B 130 8.949 14.913 -6.899 1.00 0.00 H new ATOM 0 HG23 THR B 130 9.280 14.545 -5.189 1.00 0.00 H new ATOM 794 N ARG B 131 8.961 11.145 -8.802 1.00 0.00 N ATOM 795 CA ARG B 131 8.260 11.006 -10.099 1.00 0.00 C ATOM 796 C ARG B 131 7.772 9.572 -10.353 1.00 0.00 C ATOM 797 O ARG B 131 6.540 9.389 -10.481 1.00 0.00 O ATOM 798 CB ARG B 131 9.164 11.477 -11.257 1.00 0.00 C ATOM 799 CG ARG B 131 9.470 12.985 -11.229 1.00 0.00 C ATOM 800 CD ARG B 131 10.278 13.443 -12.452 1.00 0.00 C ATOM 801 NE ARG B 131 9.538 13.278 -13.722 1.00 0.00 N ATOM 802 CZ ARG B 131 8.645 14.097 -14.243 1.00 0.00 C ATOM 803 NH1 ARG B 131 8.294 15.211 -13.668 1.00 0.00 N ATOM 804 NH2 ARG B 131 8.070 13.806 -15.375 1.00 0.00 N ATOM 805 OXT ARG B 131 8.611 8.648 -10.450 1.00 0.00 O ATOM 0 H ARG B 131 9.531 10.328 -8.581 1.00 0.00 H new ATOM 0 HA ARG B 131 7.377 11.643 -10.051 1.00 0.00 H new ATOM 0 HB2 ARG B 131 10.103 10.924 -11.221 1.00 0.00 H new ATOM 0 HB3 ARG B 131 8.684 11.230 -12.204 1.00 0.00 H new ATOM 0 HG2 ARG B 131 8.534 13.542 -11.187 1.00 0.00 H new ATOM 0 HG3 ARG B 131 10.024 13.223 -10.321 1.00 0.00 H new ATOM 0 HD2 ARG B 131 10.551 14.491 -12.330 1.00 0.00 H new ATOM 0 HD3 ARG B 131 11.207 12.875 -12.502 1.00 0.00 H new ATOM 0 HE ARG B 131 9.742 12.434 -14.257 1.00 0.00 H new ATOM 0 HH11 ARG B 131 8.714 15.480 -12.778 1.00 0.00 H new ATOM 0 HH12 ARG B 131 7.599 15.815 -14.107 1.00 0.00 H new ATOM 0 HH21 ARG B 131 8.310 12.942 -15.862 1.00 0.00 H new ATOM 0 HH22 ARG B 131 7.380 14.442 -15.775 1.00 0.00 H new TER 819 ARG B 131