USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 376 hydrogens (7 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 NoAdj-H: B 12 ABA HN2 : B 12 ABA N : B 11 LEU C :(H bumps) USER MOD NoAdj-H: B 12 ABA H : B 12 ABA N : B 11 LEU C :(H bumps) USER MOD Set 1.1: A 5 GLN : amide:sc= -1.73 K(o=-3.1,f=-0.52) USER MOD Set 1.2: A 12 SER OG : rot 180:sc= 0.142 USER MOD Set 1.3: A 15 GLN : amide:sc= -1.51 K(o=-3.1,f=-1.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.411 K(o=-0.41,f=-3.4!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.328 K(o=-0.33,f=-1.5!) USER MOD Single : B 1 PHE N :NH3+ 161:sc= 0 (180deg=-0.296) USER MOD Single : B 3 ASN : amide:sc= -0.79 K(o=-0.79,f=0.71) USER MOD Single : B 4 GLN : amide:sc= -0.333 K(o=-0.33,f=-3.4!) USER MOD Single : B 5 HIS : no HD1:sc= -2.87! C(o=-2.9!,f=-5.1!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.228 5.894 0.978 1.00 0.00 N ATOM 2 CA GLY A 1 -6.008 6.815 1.009 1.00 0.00 C ATOM 3 C GLY A 1 -4.704 6.330 0.476 1.00 0.00 C ATOM 4 O GLY A 1 -3.653 6.646 0.997 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.047 6.389 1.386 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.438 5.629 -0.006 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.030 5.037 1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.269 7.719 0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.847 7.108 2.047 1.00 0.00 H new ATOM 10 N ILE A 2 -4.730 5.559 -0.576 1.00 0.00 N ATOM 11 CA ILE A 2 -3.452 5.053 -1.157 1.00 0.00 C ATOM 12 C ILE A 2 -3.144 5.827 -2.445 1.00 0.00 C ATOM 13 O ILE A 2 -2.000 6.021 -2.807 1.00 0.00 O ATOM 14 CB ILE A 2 -3.568 3.543 -1.446 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.174 2.912 -1.412 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.193 3.306 -2.826 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.818 2.528 0.023 1.00 0.00 C ATOM 0 H ILE A 2 -5.577 5.258 -1.058 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.639 5.204 -0.447 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.204 3.089 -0.686 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.148 2.030 -2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.437 3.613 -1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.267 2.235 -3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.188 3.749 -2.856 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.568 3.766 -3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.825 2.079 0.044 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.827 3.419 0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.548 1.812 0.400 1.00 0.00 H new ATOM 29 N VAL A 3 -4.161 6.277 -3.132 1.00 0.00 N ATOM 30 CA VAL A 3 -3.938 7.047 -4.391 1.00 0.00 C ATOM 31 C VAL A 3 -3.608 8.498 -4.051 1.00 0.00 C ATOM 32 O VAL A 3 -3.269 9.286 -4.910 1.00 0.00 O ATOM 33 CB VAL A 3 -5.202 7.017 -5.246 1.00 0.00 C ATOM 34 CG1 VAL A 3 -4.813 7.126 -6.716 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.952 5.706 -5.009 1.00 0.00 C ATOM 0 H VAL A 3 -5.139 6.144 -2.875 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.111 6.596 -4.940 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.848 7.852 -4.975 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.712 7.105 -7.333 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.280 8.062 -6.883 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.169 6.289 -6.985 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.854 5.687 -5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.312 4.866 -5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.225 5.628 -3.957 1.00 0.00 H new ATOM 45 N GLU A 4 -3.706 8.854 -2.805 1.00 0.00 N ATOM 46 CA GLU A 4 -3.393 10.255 -2.402 1.00 0.00 C ATOM 47 C GLU A 4 -2.040 10.279 -1.695 1.00 0.00 C ATOM 48 O GLU A 4 -1.361 11.285 -1.664 1.00 0.00 O ATOM 49 CB GLU A 4 -4.479 10.781 -1.455 1.00 0.00 C ATOM 50 CG GLU A 4 -3.994 12.074 -0.793 1.00 0.00 C ATOM 51 CD GLU A 4 -5.182 13.007 -0.552 1.00 0.00 C ATOM 52 OE1 GLU A 4 -6.069 13.034 -1.389 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.185 13.679 0.467 1.00 0.00 O ATOM 0 H GLU A 4 -3.990 8.237 -2.044 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.358 10.890 -3.287 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.400 10.966 -2.007 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.707 10.034 -0.695 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.500 11.847 0.152 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.257 12.565 -1.428 1.00 0.00 H new ATOM 60 N GLN A 5 -1.638 9.176 -1.133 1.00 0.00 N ATOM 61 CA GLN A 5 -0.322 9.137 -0.440 1.00 0.00 C ATOM 62 C GLN A 5 0.718 8.557 -1.397 1.00 0.00 C ATOM 63 O GLN A 5 1.631 9.235 -1.813 1.00 0.00 O ATOM 64 CB GLN A 5 -0.427 8.262 0.810 1.00 0.00 C ATOM 65 CG GLN A 5 0.970 8.025 1.390 1.00 0.00 C ATOM 66 CD GLN A 5 0.950 8.300 2.896 1.00 0.00 C ATOM 67 OE1 GLN A 5 1.483 9.292 3.352 1.00 0.00 O ATOM 68 NE2 GLN A 5 0.351 7.457 3.693 1.00 0.00 N ATOM 0 H GLN A 5 -2.162 8.301 -1.123 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.026 10.143 -0.141 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.063 8.745 1.552 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.895 7.309 0.561 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.285 6.999 1.201 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.694 8.676 0.900 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.097 6.624 3.311 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.331 7.631 4.698 1.00 0.00 H new ATOM 77 N CYS A 6 0.572 7.313 -1.763 1.00 0.00 N ATOM 78 CA CYS A 6 1.543 6.689 -2.711 1.00 0.00 C ATOM 79 C CYS A 6 1.744 7.611 -3.908 1.00 0.00 C ATOM 80 O CYS A 6 2.819 7.704 -4.463 1.00 0.00 O ATOM 81 CB CYS A 6 0.966 5.378 -3.221 1.00 0.00 C ATOM 82 SG CYS A 6 1.096 4.104 -1.953 1.00 0.00 S ATOM 0 H CYS A 6 -0.179 6.699 -1.447 1.00 0.00 H new ATOM 0 HA CYS A 6 2.490 6.520 -2.198 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.078 5.517 -3.501 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.498 5.063 -4.119 1.00 0.00 H new ATOM 87 N CYS A 7 0.704 8.275 -4.322 1.00 0.00 N ATOM 88 CA CYS A 7 0.814 9.180 -5.492 1.00 0.00 C ATOM 89 C CYS A 7 1.514 10.470 -5.063 1.00 0.00 C ATOM 90 O CYS A 7 2.712 10.623 -5.197 1.00 0.00 O ATOM 91 CB CYS A 7 -0.587 9.536 -5.984 1.00 0.00 C ATOM 92 SG CYS A 7 -1.191 8.264 -7.102 1.00 0.00 S ATOM 0 H CYS A 7 -0.222 8.228 -3.897 1.00 0.00 H new ATOM 0 HA CYS A 7 1.379 8.686 -6.283 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.264 9.637 -5.136 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.568 10.500 -6.493 1.00 0.00 H new ATOM 97 N THR A 8 0.756 11.399 -4.544 1.00 0.00 N ATOM 98 CA THR A 8 1.336 12.689 -4.093 1.00 0.00 C ATOM 99 C THR A 8 2.587 12.418 -3.247 1.00 0.00 C ATOM 100 O THR A 8 3.561 13.142 -3.316 1.00 0.00 O ATOM 101 CB THR A 8 0.267 13.441 -3.274 1.00 0.00 C ATOM 102 OG1 THR A 8 -0.477 14.282 -4.143 1.00 0.00 O ATOM 103 CG2 THR A 8 0.918 14.298 -2.182 1.00 0.00 C ATOM 0 H THR A 8 -0.252 11.314 -4.414 1.00 0.00 H new ATOM 0 HA THR A 8 1.630 13.300 -4.946 1.00 0.00 H new ATOM 0 HB THR A 8 -0.387 12.710 -2.799 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.160 14.762 -3.629 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.144 14.818 -1.618 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.489 13.658 -1.509 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.585 15.028 -2.641 1.00 0.00 H new ATOM 111 N SER A 9 2.569 11.383 -2.452 1.00 0.00 N ATOM 112 CA SER A 9 3.757 11.073 -1.605 1.00 0.00 C ATOM 113 C SER A 9 4.167 9.612 -1.805 1.00 0.00 C ATOM 114 O SER A 9 3.716 8.948 -2.717 1.00 0.00 O ATOM 115 CB SER A 9 3.408 11.305 -0.135 1.00 0.00 C ATOM 116 OG SER A 9 3.794 12.622 0.237 1.00 0.00 O ATOM 0 H SER A 9 1.784 10.739 -2.352 1.00 0.00 H new ATOM 0 HA SER A 9 4.584 11.723 -1.892 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.338 11.169 0.023 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.918 10.573 0.492 1.00 0.00 H new ATOM 0 HG SER A 9 3.570 12.775 1.179 1.00 0.00 H new ATOM 122 N ILE A 10 5.029 9.110 -0.967 1.00 0.00 N ATOM 123 CA ILE A 10 5.470 7.697 -1.111 1.00 0.00 C ATOM 124 C ILE A 10 4.753 6.812 -0.076 1.00 0.00 C ATOM 125 O ILE A 10 4.028 7.294 0.773 1.00 0.00 O ATOM 126 CB ILE A 10 6.993 7.635 -0.922 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.565 6.541 -1.822 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.350 7.330 0.535 1.00 0.00 C ATOM 129 CD1 ILE A 10 8.690 7.118 -2.683 1.00 0.00 C ATOM 0 H ILE A 10 5.447 9.618 -0.188 1.00 0.00 H new ATOM 0 HA ILE A 10 5.215 7.325 -2.103 1.00 0.00 H new ATOM 0 HB ILE A 10 7.418 8.603 -1.187 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.944 5.718 -1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.780 6.133 -2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.434 7.291 0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.949 8.112 1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.922 6.369 0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.096 6.335 -3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.298 7.926 -3.301 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.479 7.505 -2.039 1.00 0.00 H new ATOM 141 N CYS A 11 4.973 5.525 -0.132 1.00 0.00 N ATOM 142 CA CYS A 11 4.333 4.603 0.855 1.00 0.00 C ATOM 143 C CYS A 11 5.326 3.509 1.231 1.00 0.00 C ATOM 144 O CYS A 11 5.854 2.820 0.381 1.00 0.00 O ATOM 145 CB CYS A 11 3.087 3.922 0.271 1.00 0.00 C ATOM 146 SG CYS A 11 3.065 4.057 -1.529 1.00 0.00 S ATOM 0 H CYS A 11 5.571 5.070 -0.822 1.00 0.00 H new ATOM 0 HA CYS A 11 4.041 5.197 1.721 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.072 2.871 0.561 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.189 4.380 0.685 1.00 0.00 H new ATOM 151 N SER A 12 5.570 3.325 2.494 1.00 0.00 N ATOM 152 CA SER A 12 6.507 2.254 2.911 1.00 0.00 C ATOM 153 C SER A 12 5.753 0.928 2.877 1.00 0.00 C ATOM 154 O SER A 12 4.605 0.858 3.267 1.00 0.00 O ATOM 155 CB SER A 12 7.003 2.532 4.330 1.00 0.00 C ATOM 156 OG SER A 12 6.165 3.508 4.934 1.00 0.00 O ATOM 0 H SER A 12 5.162 3.869 3.254 1.00 0.00 H new ATOM 0 HA SER A 12 7.366 2.216 2.241 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.995 1.614 4.918 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.034 2.885 4.305 1.00 0.00 H new ATOM 0 HG SER A 12 6.478 3.689 5.845 1.00 0.00 H new ATOM 162 N LEU A 13 6.375 -0.117 2.395 1.00 0.00 N ATOM 163 CA LEU A 13 5.670 -1.438 2.326 1.00 0.00 C ATOM 164 C LEU A 13 4.820 -1.625 3.585 1.00 0.00 C ATOM 165 O LEU A 13 3.814 -2.305 3.567 1.00 0.00 O ATOM 166 CB LEU A 13 6.628 -2.646 2.192 1.00 0.00 C ATOM 167 CG LEU A 13 8.105 -2.250 2.245 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.480 -1.483 0.977 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.370 -1.402 3.491 1.00 0.00 C ATOM 0 H LEU A 13 7.334 -0.116 2.048 1.00 0.00 H new ATOM 0 HA LEU A 13 5.055 -1.413 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.420 -3.357 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.429 -3.157 1.250 1.00 0.00 H new ATOM 0 HG LEU A 13 8.721 -3.148 2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.533 -1.203 1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.307 -2.114 0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.868 -0.584 0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.423 -1.123 3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.757 -0.502 3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.119 -1.977 4.382 1.00 0.00 H new ATOM 181 N TYR A 14 5.205 -1.018 4.677 1.00 0.00 N ATOM 182 CA TYR A 14 4.404 -1.156 5.920 1.00 0.00 C ATOM 183 C TYR A 14 3.027 -0.565 5.685 1.00 0.00 C ATOM 184 O TYR A 14 2.019 -1.126 6.068 1.00 0.00 O ATOM 185 CB TYR A 14 5.098 -0.420 7.066 1.00 0.00 C ATOM 186 CG TYR A 14 4.407 -0.749 8.367 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.430 -2.061 8.861 1.00 0.00 C ATOM 188 CD2 TYR A 14 3.741 0.257 9.078 1.00 0.00 C ATOM 189 CE1 TYR A 14 3.786 -2.364 10.068 1.00 0.00 C ATOM 190 CE2 TYR A 14 3.097 -0.047 10.284 1.00 0.00 C ATOM 191 CZ TYR A 14 3.119 -1.358 10.779 1.00 0.00 C ATOM 192 OH TYR A 14 2.483 -1.657 11.967 1.00 0.00 O ATOM 0 H TYR A 14 6.038 -0.435 4.758 1.00 0.00 H new ATOM 0 HA TYR A 14 4.311 -2.209 6.185 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.148 -0.710 7.116 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.072 0.655 6.890 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.943 -2.837 8.312 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.724 1.267 8.696 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.804 -3.374 10.450 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.583 0.729 10.832 1.00 0.00 H new ATOM 0 HH TYR A 14 2.071 -0.846 12.331 1.00 0.00 H new ATOM 202 N GLN A 15 2.971 0.558 5.041 1.00 0.00 N ATOM 203 CA GLN A 15 1.655 1.174 4.765 1.00 0.00 C ATOM 204 C GLN A 15 0.956 0.360 3.670 1.00 0.00 C ATOM 205 O GLN A 15 -0.251 0.197 3.689 1.00 0.00 O ATOM 206 CB GLN A 15 1.841 2.632 4.331 1.00 0.00 C ATOM 207 CG GLN A 15 2.420 3.438 5.495 1.00 0.00 C ATOM 208 CD GLN A 15 2.769 4.848 5.017 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.822 5.069 4.451 1.00 0.00 O ATOM 210 NE2 GLN A 15 1.923 5.822 5.221 1.00 0.00 N ATOM 0 H GLN A 15 3.779 1.076 4.694 1.00 0.00 H new ATOM 0 HA GLN A 15 1.039 1.170 5.664 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.508 2.685 3.470 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.886 3.055 4.020 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.699 3.487 6.311 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.310 2.944 5.886 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.039 5.639 5.696 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.146 6.766 4.906 1.00 0.00 H new ATOM 219 N LEU A 16 1.694 -0.204 2.739 1.00 0.00 N ATOM 220 CA LEU A 16 1.031 -1.037 1.703 1.00 0.00 C ATOM 221 C LEU A 16 0.829 -2.440 2.258 1.00 0.00 C ATOM 222 O LEU A 16 0.195 -3.278 1.647 1.00 0.00 O ATOM 223 CB LEU A 16 1.854 -1.095 0.425 1.00 0.00 C ATOM 224 CG LEU A 16 0.924 -1.097 -0.780 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.050 0.205 -1.565 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.319 -2.273 -1.672 1.00 0.00 C ATOM 0 H LEU A 16 2.707 -0.121 2.659 1.00 0.00 H new ATOM 0 HA LEU A 16 0.070 -0.588 1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.528 -0.240 0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.474 -1.991 0.420 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.110 -1.189 -0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.376 0.180 -2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.788 1.045 -0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.076 0.322 -1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.669 -2.301 -2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.354 -2.155 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.217 -3.204 -1.114 1.00 0.00 H new ATOM 238 N GLU A 17 1.326 -2.690 3.441 1.00 0.00 N ATOM 239 CA GLU A 17 1.121 -4.019 4.066 1.00 0.00 C ATOM 240 C GLU A 17 -0.289 -4.046 4.652 1.00 0.00 C ATOM 241 O GLU A 17 -0.679 -4.983 5.321 1.00 0.00 O ATOM 242 CB GLU A 17 2.147 -4.235 5.180 1.00 0.00 C ATOM 243 CG GLU A 17 2.503 -5.719 5.262 1.00 0.00 C ATOM 244 CD GLU A 17 3.571 -5.931 6.337 1.00 0.00 C ATOM 245 OE1 GLU A 17 3.510 -5.250 7.347 1.00 0.00 O ATOM 246 OE2 GLU A 17 4.431 -6.772 6.131 1.00 0.00 O ATOM 0 H GLU A 17 1.865 -2.027 3.998 1.00 0.00 H new ATOM 0 HA GLU A 17 1.244 -4.810 3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.042 -3.645 4.984 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.743 -3.894 6.133 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.614 -6.304 5.498 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.869 -6.070 4.297 1.00 0.00 H new ATOM 253 N ASN A 18 -1.064 -3.018 4.401 1.00 0.00 N ATOM 254 CA ASN A 18 -2.452 -2.987 4.939 1.00 0.00 C ATOM 255 C ASN A 18 -3.446 -3.154 3.787 1.00 0.00 C ATOM 256 O ASN A 18 -4.645 -3.127 3.981 1.00 0.00 O ATOM 257 CB ASN A 18 -2.700 -1.650 5.643 1.00 0.00 C ATOM 258 CG ASN A 18 -3.308 -1.906 7.025 1.00 0.00 C ATOM 259 OD1 ASN A 18 -3.252 -3.008 7.533 1.00 0.00 O ATOM 260 ND2 ASN A 18 -3.892 -0.925 7.659 1.00 0.00 N ATOM 0 H ASN A 18 -0.793 -2.204 3.849 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.584 -3.799 5.654 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.764 -1.100 5.742 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.372 -1.032 5.047 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.301 -1.084 8.580 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.940 0.001 7.233 1.00 0.00 H new ATOM 267 N TYR A 19 -2.958 -3.327 2.589 1.00 0.00 N ATOM 268 CA TYR A 19 -3.876 -3.497 1.428 1.00 0.00 C ATOM 269 C TYR A 19 -3.759 -4.923 0.887 1.00 0.00 C ATOM 270 O TYR A 19 -3.981 -5.174 -0.282 1.00 0.00 O ATOM 271 CB TYR A 19 -3.508 -2.490 0.338 1.00 0.00 C ATOM 272 CG TYR A 19 -3.954 -1.111 0.772 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.329 -0.480 1.857 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.995 -0.465 0.091 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.746 0.796 2.260 1.00 0.00 C ATOM 276 CE2 TYR A 19 -5.409 0.811 0.494 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.785 1.442 1.578 1.00 0.00 C ATOM 278 OH TYR A 19 -5.195 2.699 1.974 1.00 0.00 O ATOM 0 H TYR A 19 -1.964 -3.358 2.364 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.904 -3.321 1.744 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.432 -2.500 0.163 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.986 -2.762 -0.603 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.527 -0.977 2.382 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.478 -0.951 -0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.266 1.281 3.097 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.210 1.309 -0.032 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.924 3.003 1.394 1.00 0.00 H new ATOM 288 N CYS A 20 -3.416 -5.864 1.730 1.00 0.00 N ATOM 289 CA CYS A 20 -3.294 -7.272 1.262 1.00 0.00 C ATOM 290 C CYS A 20 -4.474 -8.090 1.789 1.00 0.00 C ATOM 291 O CYS A 20 -4.977 -7.848 2.868 1.00 0.00 O ATOM 292 CB CYS A 20 -1.985 -7.877 1.775 1.00 0.00 C ATOM 293 SG CYS A 20 -0.586 -6.885 1.195 1.00 0.00 S ATOM 0 H CYS A 20 -3.216 -5.716 2.719 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.296 -7.289 0.172 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.992 -7.912 2.864 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -1.885 -8.904 1.424 1.00 0.00 H new ATOM 298 N ASN A 21 -4.924 -9.056 1.033 1.00 0.00 N ATOM 299 CA ASN A 21 -6.071 -9.887 1.489 1.00 0.00 C ATOM 300 C ASN A 21 -5.549 -11.109 2.246 1.00 0.00 C ATOM 301 O ASN A 21 -4.351 -11.180 2.461 1.00 0.00 O ATOM 302 CB ASN A 21 -6.878 -10.344 0.273 1.00 0.00 C ATOM 303 CG ASN A 21 -8.134 -9.482 0.139 1.00 0.00 C ATOM 304 OD1 ASN A 21 -8.715 -9.077 1.127 1.00 0.00 O ATOM 305 ND2 ASN A 21 -8.583 -9.182 -1.049 1.00 0.00 N ATOM 306 OXT ASN A 21 -6.357 -11.954 2.597 1.00 0.00 O ATOM 0 H ASN A 21 -4.545 -9.304 0.119 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.708 -9.299 2.150 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.272 -10.264 -0.629 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.154 -11.393 0.380 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.421 -8.608 -1.148 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.096 -9.521 -1.879 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 11.377 0.859 4.499 1.00 0.00 N ATOM 315 CA PHE B 1 12.601 0.349 3.824 1.00 0.00 C ATOM 316 C PHE B 1 12.539 0.685 2.331 1.00 0.00 C ATOM 317 O PHE B 1 13.283 1.509 1.838 1.00 0.00 O ATOM 318 CB PHE B 1 12.682 -1.167 4.008 1.00 0.00 C ATOM 319 CG PHE B 1 13.915 -1.700 3.319 1.00 0.00 C ATOM 320 CD1 PHE B 1 15.036 -0.876 3.140 1.00 0.00 C ATOM 321 CD2 PHE B 1 13.939 -3.023 2.861 1.00 0.00 C ATOM 322 CE1 PHE B 1 16.178 -1.376 2.502 1.00 0.00 C ATOM 323 CE2 PHE B 1 15.082 -3.523 2.223 1.00 0.00 C ATOM 324 CZ PHE B 1 16.201 -2.700 2.043 1.00 0.00 C ATOM 0 H1 PHE B 1 11.254 0.372 5.410 1.00 0.00 H new ATOM 0 H2 PHE B 1 11.472 1.882 4.663 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.548 0.680 3.897 1.00 0.00 H new ATOM 0 HA PHE B 1 13.484 0.817 4.261 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.712 -1.413 5.070 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.791 -1.641 3.597 1.00 0.00 H new ATOM 0 HD1 PHE B 1 15.018 0.144 3.494 1.00 0.00 H new ATOM 0 HD2 PHE B 1 13.077 -3.658 2.999 1.00 0.00 H new ATOM 0 HE1 PHE B 1 17.041 -0.741 2.364 1.00 0.00 H new ATOM 0 HE2 PHE B 1 15.100 -4.543 1.870 1.00 0.00 H new ATOM 0 HZ PHE B 1 17.081 -3.086 1.551 1.00 0.00 H new ATOM 336 N VAL B 2 11.653 0.054 1.608 1.00 0.00 N ATOM 337 CA VAL B 2 11.539 0.338 0.147 1.00 0.00 C ATOM 338 C VAL B 2 10.359 1.282 -0.099 1.00 0.00 C ATOM 339 O VAL B 2 9.484 1.004 -0.895 1.00 0.00 O ATOM 340 CB VAL B 2 11.307 -0.970 -0.612 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.864 -0.846 -2.031 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.020 -2.115 0.111 1.00 0.00 C ATOM 0 H VAL B 2 11.003 -0.646 1.965 1.00 0.00 H new ATOM 0 HA VAL B 2 12.460 0.804 -0.203 1.00 0.00 H new ATOM 0 HB VAL B 2 10.237 -1.175 -0.656 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.698 -1.779 -2.570 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.359 -0.032 -2.550 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.933 -0.639 -1.985 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.854 -3.046 -0.430 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.089 -1.907 0.156 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.625 -2.208 1.123 1.00 0.00 H new ATOM 352 N ASN B 3 10.326 2.393 0.582 1.00 0.00 N ATOM 353 CA ASN B 3 9.201 3.354 0.394 1.00 0.00 C ATOM 354 C ASN B 3 9.046 3.694 -1.092 1.00 0.00 C ATOM 355 O ASN B 3 9.669 4.607 -1.597 1.00 0.00 O ATOM 356 CB ASN B 3 9.488 4.635 1.180 1.00 0.00 C ATOM 357 CG ASN B 3 10.990 4.925 1.160 1.00 0.00 C ATOM 358 OD1 ASN B 3 11.569 5.115 0.108 1.00 0.00 O ATOM 359 ND2 ASN B 3 11.649 4.968 2.285 1.00 0.00 N ATOM 0 H ASN B 3 11.030 2.679 1.262 1.00 0.00 H new ATOM 0 HA ASN B 3 8.279 2.899 0.756 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.940 5.471 0.745 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.142 4.528 2.208 1.00 0.00 H new ATOM 0 HD21 ASN B 3 12.651 5.161 2.282 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.163 4.809 3.167 1.00 0.00 H new ATOM 366 N GLN B 4 8.216 2.969 -1.795 1.00 0.00 N ATOM 367 CA GLN B 4 8.015 3.261 -3.245 1.00 0.00 C ATOM 368 C GLN B 4 6.703 4.034 -3.437 1.00 0.00 C ATOM 369 O GLN B 4 5.708 3.752 -2.800 1.00 0.00 O ATOM 370 CB GLN B 4 7.962 1.945 -4.029 1.00 0.00 C ATOM 371 CG GLN B 4 8.853 2.059 -5.270 1.00 0.00 C ATOM 372 CD GLN B 4 9.536 0.717 -5.540 1.00 0.00 C ATOM 373 OE1 GLN B 4 9.464 -0.189 -4.734 1.00 0.00 O ATOM 374 NE2 GLN B 4 10.204 0.552 -6.650 1.00 0.00 N ATOM 0 H GLN B 4 7.670 2.189 -1.429 1.00 0.00 H new ATOM 0 HA GLN B 4 8.844 3.866 -3.613 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.298 1.120 -3.401 1.00 0.00 H new ATOM 0 HB3 GLN B 4 6.936 1.724 -4.323 1.00 0.00 H new ATOM 0 HG2 GLN B 4 8.255 2.354 -6.133 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.603 2.836 -5.121 1.00 0.00 H new ATOM 0 HE21 GLN B 4 10.264 1.313 -7.327 1.00 0.00 H new ATOM 0 HE22 GLN B 4 10.665 -0.338 -6.840 1.00 0.00 H new ATOM 383 N HIS B 5 6.692 5.007 -4.314 1.00 0.00 N ATOM 384 CA HIS B 5 5.442 5.795 -4.548 1.00 0.00 C ATOM 385 C HIS B 5 4.794 5.326 -5.854 1.00 0.00 C ATOM 386 O HIS B 5 5.451 5.200 -6.869 1.00 0.00 O ATOM 387 CB HIS B 5 5.793 7.285 -4.632 1.00 0.00 C ATOM 388 CG HIS B 5 6.427 7.586 -5.964 1.00 0.00 C ATOM 389 ND1 HIS B 5 5.675 7.673 -7.117 1.00 0.00 N ATOM 390 CD2 HIS B 5 7.731 7.817 -6.308 1.00 0.00 C ATOM 391 CE1 HIS B 5 6.530 7.950 -8.113 1.00 0.00 C ATOM 392 NE2 HIS B 5 7.799 8.048 -7.665 1.00 0.00 N ATOM 0 H HIS B 5 7.494 5.290 -4.878 1.00 0.00 H new ATOM 0 HA HIS B 5 4.741 5.643 -3.727 1.00 0.00 H new ATOM 0 HB2 HIS B 5 4.894 7.888 -4.503 1.00 0.00 H new ATOM 0 HB3 HIS B 5 6.475 7.553 -3.825 1.00 0.00 H new ATOM 0 HD2 HIS B 5 8.570 7.818 -5.628 1.00 0.00 H new ATOM 0 HE1 HIS B 5 6.239 8.079 -9.145 1.00 0.00 H new ATOM 0 HE2 HIS B 5 8.634 8.251 -8.215 1.00 0.00 H new ATOM 400 N LEU B 6 3.516 5.029 -5.835 1.00 0.00 N ATOM 401 CA LEU B 6 2.867 4.525 -7.080 1.00 0.00 C ATOM 402 C LEU B 6 1.425 5.045 -7.250 1.00 0.00 C ATOM 403 O LEU B 6 0.747 5.351 -6.289 1.00 0.00 O ATOM 404 CB LEU B 6 2.853 3.005 -7.036 1.00 0.00 C ATOM 405 CG LEU B 6 4.225 2.499 -6.626 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.275 2.422 -5.117 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.453 1.104 -7.206 1.00 0.00 C ATOM 0 H LEU B 6 2.905 5.113 -5.023 1.00 0.00 H new ATOM 0 HA LEU B 6 3.442 4.891 -7.931 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.099 2.658 -6.329 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.583 2.604 -8.013 1.00 0.00 H new ATOM 0 HG LEU B 6 4.996 3.173 -6.999 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.254 2.060 -4.803 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.102 3.413 -4.696 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.504 1.738 -4.762 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.438 0.744 -6.910 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.689 0.424 -6.829 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.394 1.148 -8.294 1.00 0.00 H new ATOM 419 N CYS B 7 0.960 5.157 -8.484 1.00 0.00 N ATOM 420 CA CYS B 7 -0.427 5.666 -8.735 1.00 0.00 C ATOM 421 C CYS B 7 -1.316 4.609 -9.423 1.00 0.00 C ATOM 422 O CYS B 7 -1.886 3.769 -8.777 1.00 0.00 O ATOM 423 CB CYS B 7 -0.345 6.901 -9.634 1.00 0.00 C ATOM 424 SG CYS B 7 0.100 8.340 -8.644 1.00 0.00 S ATOM 0 H CYS B 7 1.487 4.916 -9.323 1.00 0.00 H new ATOM 0 HA CYS B 7 -0.875 5.908 -7.771 1.00 0.00 H new ATOM 0 HB2 CYS B 7 0.395 6.744 -10.419 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.302 7.068 -10.128 1.00 0.00 H new ATOM 429 N GLY B 8 -1.478 4.682 -10.726 1.00 0.00 N ATOM 430 CA GLY B 8 -2.376 3.711 -11.442 1.00 0.00 C ATOM 431 C GLY B 8 -1.926 2.264 -11.211 1.00 0.00 C ATOM 432 O GLY B 8 -1.731 1.835 -10.089 1.00 0.00 O ATOM 0 H GLY B 8 -1.027 5.373 -11.326 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.401 3.835 -11.094 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -2.373 3.929 -12.510 1.00 0.00 H new ATOM 436 N SER B 9 -1.759 1.501 -12.267 1.00 0.00 N ATOM 437 CA SER B 9 -1.309 0.089 -12.095 1.00 0.00 C ATOM 438 C SER B 9 -0.151 0.102 -11.108 1.00 0.00 C ATOM 439 O SER B 9 0.069 -0.831 -10.362 1.00 0.00 O ATOM 440 CB SER B 9 -0.837 -0.476 -13.436 1.00 0.00 C ATOM 441 OG SER B 9 -0.123 -1.685 -13.212 1.00 0.00 O ATOM 0 H SER B 9 -1.914 1.795 -13.231 1.00 0.00 H new ATOM 0 HA SER B 9 -2.126 -0.534 -11.730 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.692 -0.660 -14.087 1.00 0.00 H new ATOM 0 HB3 SER B 9 -0.199 0.247 -13.944 1.00 0.00 H new ATOM 0 HG SER B 9 0.179 -2.050 -14.070 1.00 0.00 H new ATOM 447 N ASP B 10 0.565 1.190 -11.080 1.00 0.00 N ATOM 448 CA ASP B 10 1.688 1.326 -10.126 1.00 0.00 C ATOM 449 C ASP B 10 1.155 0.968 -8.735 1.00 0.00 C ATOM 450 O ASP B 10 1.834 0.351 -7.938 1.00 0.00 O ATOM 451 CB ASP B 10 2.188 2.768 -10.185 1.00 0.00 C ATOM 452 CG ASP B 10 3.718 2.786 -10.209 1.00 0.00 C ATOM 453 OD1 ASP B 10 4.306 1.720 -10.110 1.00 0.00 O ATOM 454 OD2 ASP B 10 4.277 3.864 -10.330 1.00 0.00 O ATOM 0 H ASP B 10 0.415 1.997 -11.686 1.00 0.00 H new ATOM 0 HA ASP B 10 2.521 0.665 -10.366 1.00 0.00 H new ATOM 0 HB2 ASP B 10 1.795 3.263 -11.074 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.822 3.325 -9.322 1.00 0.00 H new ATOM 459 N LEU B 11 -0.087 1.293 -8.466 1.00 0.00 N ATOM 460 CA LEU B 11 -0.697 0.910 -7.165 1.00 0.00 C ATOM 461 C LEU B 11 -0.837 -0.599 -7.201 1.00 0.00 C ATOM 462 O LEU B 11 -0.413 -1.315 -6.317 1.00 0.00 O ATOM 463 CB LEU B 11 -2.116 1.500 -7.054 1.00 0.00 C ATOM 464 CG LEU B 11 -2.315 2.367 -5.801 1.00 0.00 C ATOM 465 CD1 LEU B 11 -1.349 1.969 -4.676 1.00 0.00 C ATOM 466 CD2 LEU B 11 -2.126 3.832 -6.193 1.00 0.00 C ATOM 0 H LEU B 11 -0.701 1.808 -9.096 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.090 1.267 -6.333 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.323 2.100 -7.940 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.841 0.686 -7.044 1.00 0.00 H new ATOM 0 HG LEU B 11 -3.322 2.213 -5.414 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.521 2.605 -3.807 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.518 0.927 -4.403 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.321 2.092 -5.018 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -2.264 4.464 -5.316 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.121 3.976 -6.590 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.858 4.103 -6.953 1.00 0.00 H new HETATM 478 N ABA B 12 -1.437 -1.071 -8.257 1.00 0.00 N HETATM 479 CA ABA B 12 -1.640 -2.534 -8.432 1.00 0.00 C HETATM 480 C ABA B 12 -0.286 -3.243 -8.371 1.00 0.00 C HETATM 481 O ABA B 12 -0.210 -4.441 -8.192 1.00 0.00 O HETATM 482 CB ABA B 12 -2.287 -2.790 -9.799 1.00 0.00 C HETATM 483 CG ABA B 12 -3.133 -4.057 -9.745 1.00 0.00 C HETATM 0 HG3 ABA B 12 -3.915 -3.941 -8.994 1.00 0.00 H new HETATM 0 HG2 ABA B 12 -2.501 -4.906 -9.483 1.00 0.00 H new HETATM 0 HG1 ABA B 12 -3.589 -4.232 -10.719 1.00 0.00 H new HETATM 0 HB3 ABA B 12 -1.516 -2.890 -10.563 1.00 0.00 H new HETATM 0 HB2 ABA B 12 -2.908 -1.940 -10.082 1.00 0.00 H new HETATM 0 HA ABA B 12 -2.287 -2.915 -7.641 1.00 0.00 H new ATOM 491 N GLU B 13 0.787 -2.510 -8.525 1.00 0.00 N ATOM 492 CA GLU B 13 2.130 -3.151 -8.480 1.00 0.00 C ATOM 493 C GLU B 13 2.628 -3.205 -7.040 1.00 0.00 C ATOM 494 O GLU B 13 2.948 -4.261 -6.532 1.00 0.00 O ATOM 495 CB GLU B 13 3.124 -2.358 -9.325 1.00 0.00 C ATOM 496 CG GLU B 13 3.485 -3.160 -10.577 1.00 0.00 C ATOM 497 CD GLU B 13 4.863 -2.731 -11.081 1.00 0.00 C ATOM 498 OE1 GLU B 13 5.555 -2.045 -10.346 1.00 0.00 O ATOM 499 OE2 GLU B 13 5.205 -3.096 -12.194 1.00 0.00 O ATOM 0 H GLU B 13 0.789 -1.502 -8.679 1.00 0.00 H new ATOM 0 HA GLU B 13 2.046 -4.162 -8.879 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.692 -1.398 -9.607 1.00 0.00 H new ATOM 0 HB3 GLU B 13 4.022 -2.146 -8.745 1.00 0.00 H new ATOM 0 HG2 GLU B 13 3.485 -4.226 -10.351 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.736 -2.999 -11.353 1.00 0.00 H new ATOM 506 N ALA B 14 2.686 -2.086 -6.365 1.00 0.00 N ATOM 507 CA ALA B 14 3.152 -2.111 -4.953 1.00 0.00 C ATOM 508 C ALA B 14 2.405 -3.238 -4.258 1.00 0.00 C ATOM 509 O ALA B 14 2.977 -4.059 -3.570 1.00 0.00 O ATOM 510 CB ALA B 14 2.828 -0.781 -4.274 1.00 0.00 C ATOM 0 H ALA B 14 2.433 -1.167 -6.728 1.00 0.00 H new ATOM 0 HA ALA B 14 4.230 -2.266 -4.902 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.172 -0.807 -3.240 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.329 0.029 -4.803 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.751 -0.615 -4.294 1.00 0.00 H new ATOM 516 N LEU B 15 1.123 -3.293 -4.477 1.00 0.00 N ATOM 517 CA LEU B 15 0.301 -4.378 -3.882 1.00 0.00 C ATOM 518 C LEU B 15 0.772 -5.717 -4.465 1.00 0.00 C ATOM 519 O LEU B 15 0.783 -6.732 -3.798 1.00 0.00 O ATOM 520 CB LEU B 15 -1.174 -4.177 -4.264 1.00 0.00 C ATOM 521 CG LEU B 15 -1.674 -2.762 -3.894 1.00 0.00 C ATOM 522 CD1 LEU B 15 -3.180 -2.708 -4.068 1.00 0.00 C ATOM 523 CD2 LEU B 15 -1.349 -2.388 -2.446 1.00 0.00 C ATOM 0 H LEU B 15 0.605 -2.626 -5.049 1.00 0.00 H new ATOM 0 HA LEU B 15 0.406 -4.366 -2.797 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.297 -4.338 -5.335 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -1.786 -4.923 -3.757 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.167 -2.056 -4.552 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.541 -1.713 -3.809 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.435 -2.928 -5.105 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -3.648 -3.445 -3.415 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.721 -1.385 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.824 -3.100 -1.771 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.269 -2.412 -2.297 1.00 0.00 H new ATOM 535 N TYR B 16 1.155 -5.719 -5.720 1.00 0.00 N ATOM 536 CA TYR B 16 1.616 -6.984 -6.371 1.00 0.00 C ATOM 537 C TYR B 16 3.031 -7.324 -5.900 1.00 0.00 C ATOM 538 O TYR B 16 3.400 -8.477 -5.793 1.00 0.00 O ATOM 539 CB TYR B 16 1.636 -6.786 -7.889 1.00 0.00 C ATOM 540 CG TYR B 16 0.493 -7.532 -8.531 1.00 0.00 C ATOM 541 CD1 TYR B 16 0.237 -8.864 -8.186 1.00 0.00 C ATOM 542 CD2 TYR B 16 -0.307 -6.889 -9.487 1.00 0.00 C ATOM 543 CE1 TYR B 16 -0.823 -9.554 -8.794 1.00 0.00 C ATOM 544 CE2 TYR B 16 -1.363 -7.578 -10.095 1.00 0.00 C ATOM 545 CZ TYR B 16 -1.621 -8.910 -9.748 1.00 0.00 C ATOM 546 OH TYR B 16 -2.662 -9.588 -10.348 1.00 0.00 O ATOM 0 H TYR B 16 1.168 -4.896 -6.322 1.00 0.00 H new ATOM 0 HA TYR B 16 0.938 -7.794 -6.104 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.564 -5.724 -8.125 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.584 -7.139 -8.296 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.855 -9.361 -7.452 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.108 -5.862 -9.754 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -1.023 -10.581 -8.526 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -1.978 -7.083 -10.831 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.115 -8.996 -10.984 1.00 0.00 H new ATOM 556 N LEU B 17 3.829 -6.331 -5.624 1.00 0.00 N ATOM 557 CA LEU B 17 5.221 -6.599 -5.171 1.00 0.00 C ATOM 558 C LEU B 17 5.236 -6.724 -3.657 1.00 0.00 C ATOM 559 O LEU B 17 6.164 -7.242 -3.069 1.00 0.00 O ATOM 560 CB LEU B 17 6.115 -5.437 -5.573 1.00 0.00 C ATOM 561 CG LEU B 17 7.060 -5.896 -6.681 1.00 0.00 C ATOM 562 CD1 LEU B 17 7.895 -7.077 -6.181 1.00 0.00 C ATOM 563 CD2 LEU B 17 6.242 -6.333 -7.899 1.00 0.00 C ATOM 0 H LEU B 17 3.577 -5.345 -5.693 1.00 0.00 H new ATOM 0 HA LEU B 17 5.582 -7.520 -5.628 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.510 -4.598 -5.918 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.686 -5.086 -4.713 1.00 0.00 H new ATOM 0 HG LEU B 17 7.720 -5.074 -6.960 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.570 -7.406 -6.971 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.476 -6.769 -5.312 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.234 -7.898 -5.904 1.00 0.00 H new ATOM 0 HD21 LEU B 17 6.915 -6.661 -8.691 1.00 0.00 H new ATOM 0 HD22 LEU B 17 5.583 -7.155 -7.619 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.644 -5.494 -8.256 1.00 0.00 H new ATOM 575 N VAL B 18 4.219 -6.233 -3.023 1.00 0.00 N ATOM 576 CA VAL B 18 4.168 -6.294 -1.548 1.00 0.00 C ATOM 577 C VAL B 18 3.575 -7.636 -1.101 1.00 0.00 C ATOM 578 O VAL B 18 4.096 -8.286 -0.218 1.00 0.00 O ATOM 579 CB VAL B 18 3.310 -5.129 -1.060 1.00 0.00 C ATOM 580 CG1 VAL B 18 2.737 -5.440 0.317 1.00 0.00 C ATOM 581 CG2 VAL B 18 4.176 -3.873 -0.968 1.00 0.00 C ATOM 0 H VAL B 18 3.415 -5.789 -3.467 1.00 0.00 H new ATOM 0 HA VAL B 18 5.169 -6.217 -1.124 1.00 0.00 H new ATOM 0 HB VAL B 18 2.491 -4.971 -1.762 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.127 -4.602 0.655 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.121 -6.338 0.261 1.00 0.00 H new ATOM 0 HG13 VAL B 18 3.552 -5.603 1.022 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.569 -3.037 -0.620 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.993 -4.045 -0.267 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.585 -3.640 -1.951 1.00 0.00 H new ATOM 591 N CYS B 19 2.491 -8.054 -1.693 1.00 0.00 N ATOM 592 CA CYS B 19 1.881 -9.350 -1.279 1.00 0.00 C ATOM 593 C CYS B 19 1.603 -10.215 -2.511 1.00 0.00 C ATOM 594 O CYS B 19 2.318 -11.158 -2.793 1.00 0.00 O ATOM 595 CB CYS B 19 0.571 -9.078 -0.537 1.00 0.00 C ATOM 596 SG CYS B 19 0.922 -8.218 1.016 1.00 0.00 S ATOM 0 H CYS B 19 2.004 -7.559 -2.440 1.00 0.00 H new ATOM 0 HA CYS B 19 2.572 -9.879 -0.623 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -0.092 -8.474 -1.157 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.053 -10.016 -0.336 1.00 0.00 H new ATOM 601 N GLY B 20 0.568 -9.910 -3.242 1.00 0.00 N ATOM 602 CA GLY B 20 0.242 -10.723 -4.448 1.00 0.00 C ATOM 603 C GLY B 20 -0.374 -12.051 -4.009 1.00 0.00 C ATOM 604 O GLY B 20 -1.498 -12.368 -4.347 1.00 0.00 O ATOM 0 H GLY B 20 -0.067 -9.133 -3.057 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -0.453 -10.181 -5.090 1.00 0.00 H new ATOM 0 HA3 GLY B 20 1.143 -10.903 -5.034 1.00 0.00 H new ATOM 608 N GLU B 21 0.349 -12.828 -3.251 1.00 0.00 N ATOM 609 CA GLU B 21 -0.196 -14.134 -2.786 1.00 0.00 C ATOM 610 C GLU B 21 -1.339 -13.887 -1.798 1.00 0.00 C ATOM 611 O GLU B 21 -2.398 -14.473 -1.903 1.00 0.00 O ATOM 612 CB GLU B 21 0.912 -14.931 -2.094 1.00 0.00 C ATOM 613 CG GLU B 21 1.480 -14.118 -0.930 1.00 0.00 C ATOM 614 CD GLU B 21 2.873 -14.641 -0.574 1.00 0.00 C ATOM 615 OE1 GLU B 21 3.226 -15.703 -1.060 1.00 0.00 O ATOM 616 OE2 GLU B 21 3.562 -13.971 0.176 1.00 0.00 O ATOM 0 H GLU B 21 1.294 -12.615 -2.933 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.570 -14.697 -3.641 1.00 0.00 H new ATOM 0 HB2 GLU B 21 0.518 -15.880 -1.730 1.00 0.00 H new ATOM 0 HB3 GLU B 21 1.703 -15.167 -2.806 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.534 -13.064 -1.201 1.00 0.00 H new ATOM 0 HG3 GLU B 21 0.820 -14.191 -0.065 1.00 0.00 H new ATOM 623 N ARG B 22 -1.135 -13.024 -0.840 1.00 0.00 N ATOM 624 CA ARG B 22 -2.214 -12.744 0.149 1.00 0.00 C ATOM 625 C ARG B 22 -3.405 -12.108 -0.567 1.00 0.00 C ATOM 626 O ARG B 22 -4.531 -12.191 -0.118 1.00 0.00 O ATOM 627 CB ARG B 22 -1.688 -11.787 1.222 1.00 0.00 C ATOM 628 CG ARG B 22 -1.928 -12.390 2.610 1.00 0.00 C ATOM 629 CD ARG B 22 -0.701 -13.200 3.035 1.00 0.00 C ATOM 630 NE ARG B 22 -0.709 -13.375 4.516 1.00 0.00 N ATOM 631 CZ ARG B 22 -0.887 -14.562 5.032 1.00 0.00 C ATOM 632 NH1 ARG B 22 -0.300 -15.598 4.499 1.00 0.00 N ATOM 633 NH2 ARG B 22 -1.652 -14.712 6.079 1.00 0.00 N ATOM 0 H ARG B 22 -0.270 -12.502 -0.700 1.00 0.00 H new ATOM 0 HA ARG B 22 -2.529 -13.675 0.620 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.624 -11.606 1.072 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -2.190 -10.823 1.141 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -2.122 -11.598 3.333 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -2.811 -13.029 2.593 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -0.706 -14.173 2.543 1.00 0.00 H new ATOM 0 HD3 ARG B 22 0.210 -12.690 2.723 1.00 0.00 H new ATOM 0 HE ARG B 22 -0.576 -12.568 5.126 1.00 0.00 H new ATOM 0 HH11 ARG B 22 0.297 -15.481 3.680 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -0.438 -16.525 4.901 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -2.112 -13.902 6.495 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -1.790 -15.639 6.481 1.00 0.00 H new ATOM 647 N GLY B 23 -3.167 -11.479 -1.682 1.00 0.00 N ATOM 648 CA GLY B 23 -4.286 -10.844 -2.433 1.00 0.00 C ATOM 649 C GLY B 23 -4.310 -9.335 -2.152 1.00 0.00 C ATOM 650 O GLY B 23 -3.865 -8.890 -1.113 1.00 0.00 O ATOM 0 H GLY B 23 -2.246 -11.376 -2.107 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -4.166 -11.022 -3.502 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -5.235 -11.293 -2.139 1.00 0.00 H new ATOM 654 N PHE B 24 -4.842 -8.539 -3.046 1.00 0.00 N ATOM 655 CA PHE B 24 -4.905 -7.071 -2.775 1.00 0.00 C ATOM 656 C PHE B 24 -6.083 -6.471 -3.545 1.00 0.00 C ATOM 657 O PHE B 24 -6.231 -6.685 -4.733 1.00 0.00 O ATOM 658 CB PHE B 24 -3.608 -6.372 -3.205 1.00 0.00 C ATOM 659 CG PHE B 24 -3.405 -6.475 -4.706 1.00 0.00 C ATOM 660 CD1 PHE B 24 -4.027 -5.553 -5.570 1.00 0.00 C ATOM 661 CD2 PHE B 24 -2.591 -7.484 -5.239 1.00 0.00 C ATOM 662 CE1 PHE B 24 -3.830 -5.649 -6.952 1.00 0.00 C ATOM 663 CE2 PHE B 24 -2.396 -7.575 -6.621 1.00 0.00 C ATOM 664 CZ PHE B 24 -3.018 -6.658 -7.477 1.00 0.00 C ATOM 0 H PHE B 24 -5.231 -8.838 -3.941 1.00 0.00 H new ATOM 0 HA PHE B 24 -5.035 -6.921 -1.703 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -3.641 -5.323 -2.910 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -2.760 -6.822 -2.688 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.655 -4.773 -5.166 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -2.113 -8.194 -4.580 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.307 -4.942 -7.615 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -1.766 -8.352 -7.028 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.870 -6.731 -8.544 1.00 0.00 H new ATOM 674 N PHE B 25 -6.929 -5.731 -2.880 1.00 0.00 N ATOM 675 CA PHE B 25 -8.100 -5.133 -3.583 1.00 0.00 C ATOM 676 C PHE B 25 -7.805 -3.678 -3.954 1.00 0.00 C ATOM 677 O PHE B 25 -7.394 -2.884 -3.132 1.00 0.00 O ATOM 678 CB PHE B 25 -9.329 -5.188 -2.669 1.00 0.00 C ATOM 679 CG PHE B 25 -8.992 -4.602 -1.317 1.00 0.00 C ATOM 680 CD1 PHE B 25 -8.979 -3.212 -1.138 1.00 0.00 C ATOM 681 CD2 PHE B 25 -8.700 -5.448 -0.240 1.00 0.00 C ATOM 682 CE1 PHE B 25 -8.672 -2.669 0.117 1.00 0.00 C ATOM 683 CE2 PHE B 25 -8.393 -4.906 1.016 1.00 0.00 C ATOM 684 CZ PHE B 25 -8.379 -3.517 1.194 1.00 0.00 C ATOM 0 H PHE B 25 -6.861 -5.516 -1.885 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.294 -5.700 -4.494 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -10.153 -4.635 -3.120 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -9.662 -6.220 -2.555 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -9.206 -2.559 -1.968 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.711 -6.519 -0.377 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -8.661 -1.598 0.254 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.167 -5.559 1.846 1.00 0.00 H new ATOM 0 HZ PHE B 25 -8.142 -3.099 2.161 1.00 0.00 H new ATOM 694 N TYR B 26 -8.023 -3.323 -5.190 1.00 0.00 N ATOM 695 CA TYR B 26 -7.768 -1.922 -5.626 1.00 0.00 C ATOM 696 C TYR B 26 -9.100 -1.270 -6.007 1.00 0.00 C ATOM 697 O TYR B 26 -9.390 -1.059 -7.166 1.00 0.00 O ATOM 698 CB TYR B 26 -6.829 -1.929 -6.838 1.00 0.00 C ATOM 699 CG TYR B 26 -6.884 -0.594 -7.539 1.00 0.00 C ATOM 700 CD1 TYR B 26 -6.430 0.559 -6.888 1.00 0.00 C ATOM 701 CD2 TYR B 26 -7.392 -0.511 -8.841 1.00 0.00 C ATOM 702 CE1 TYR B 26 -6.484 1.798 -7.540 1.00 0.00 C ATOM 703 CE2 TYR B 26 -7.447 0.727 -9.495 1.00 0.00 C ATOM 704 CZ TYR B 26 -6.993 1.883 -8.844 1.00 0.00 C ATOM 705 OH TYR B 26 -7.045 3.103 -9.486 1.00 0.00 O ATOM 0 H TYR B 26 -8.368 -3.946 -5.920 1.00 0.00 H new ATOM 0 HA TYR B 26 -7.303 -1.359 -4.817 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.809 -2.139 -6.517 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -7.116 -2.723 -7.527 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.038 0.494 -5.884 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.742 -1.402 -9.342 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.134 2.688 -7.038 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.839 0.791 -10.499 1.00 0.00 H new ATOM 0 HH TYR B 26 -7.423 2.985 -10.382 1.00 0.00 H new ATOM 715 N THR B 27 -9.916 -0.955 -5.038 1.00 0.00 N ATOM 716 CA THR B 27 -11.229 -0.325 -5.348 1.00 0.00 C ATOM 717 C THR B 27 -11.123 1.191 -5.169 1.00 0.00 C ATOM 718 O THR B 27 -10.372 1.680 -4.349 1.00 0.00 O ATOM 719 CB THR B 27 -12.296 -0.874 -4.398 1.00 0.00 C ATOM 720 OG1 THR B 27 -11.871 -0.694 -3.055 1.00 0.00 O ATOM 721 CG2 THR B 27 -12.508 -2.365 -4.672 1.00 0.00 C ATOM 0 H THR B 27 -9.730 -1.107 -4.047 1.00 0.00 H new ATOM 0 HA THR B 27 -11.505 -0.552 -6.378 1.00 0.00 H new ATOM 0 HB THR B 27 -13.233 -0.340 -4.557 1.00 0.00 H new ATOM 0 HG1 THR B 27 -12.554 -1.044 -2.446 1.00 0.00 H new ATOM 0 HG21 THR B 27 -13.268 -2.755 -3.995 1.00 0.00 H new ATOM 0 HG22 THR B 27 -12.835 -2.503 -5.703 1.00 0.00 H new ATOM 0 HG23 THR B 27 -11.572 -2.901 -4.514 1.00 0.00 H new ATOM 729 N LYS B 28 -11.880 1.938 -5.924 1.00 0.00 N ATOM 730 CA LYS B 28 -11.831 3.419 -5.789 1.00 0.00 C ATOM 731 C LYS B 28 -13.162 4.035 -6.244 1.00 0.00 C ATOM 732 O LYS B 28 -13.179 4.936 -7.057 1.00 0.00 O ATOM 733 CB LYS B 28 -10.670 3.976 -6.631 1.00 0.00 C ATOM 734 CG LYS B 28 -10.995 3.916 -8.133 1.00 0.00 C ATOM 735 CD LYS B 28 -11.691 2.598 -8.477 1.00 0.00 C ATOM 736 CE LYS B 28 -11.666 2.392 -9.993 1.00 0.00 C ATOM 737 NZ LYS B 28 -12.798 3.137 -10.615 1.00 0.00 N ATOM 0 H LYS B 28 -12.529 1.587 -6.628 1.00 0.00 H new ATOM 0 HA LYS B 28 -11.669 3.679 -4.743 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -10.468 5.007 -6.341 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -9.764 3.405 -6.429 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.635 4.755 -8.407 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -10.078 4.012 -8.714 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -11.191 1.768 -7.978 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.720 2.612 -8.118 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -10.718 2.741 -10.403 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -11.743 1.330 -10.228 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -12.781 2.997 -11.645 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -13.698 2.784 -10.232 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -12.705 4.151 -10.402 1.00 0.00 H new ATOM 751 N PRO B 29 -14.243 3.537 -5.690 1.00 0.00 N ATOM 752 CA PRO B 29 -15.593 4.031 -6.013 1.00 0.00 C ATOM 753 C PRO B 29 -15.855 5.361 -5.300 1.00 0.00 C ATOM 754 O PRO B 29 -16.345 6.307 -5.886 1.00 0.00 O ATOM 755 CB PRO B 29 -16.517 2.939 -5.469 1.00 0.00 C ATOM 756 CG PRO B 29 -15.709 2.190 -4.384 1.00 0.00 C ATOM 757 CD PRO B 29 -14.223 2.444 -4.694 1.00 0.00 C ATOM 0 HA PRO B 29 -15.738 4.216 -7.077 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -17.425 3.371 -5.049 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -16.826 2.259 -6.263 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -15.966 2.553 -3.389 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -15.932 1.123 -4.401 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -13.673 2.731 -3.798 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -13.741 1.551 -5.092 1.00 0.00 H new ATOM 765 N THR B 30 -15.532 5.436 -4.037 1.00 0.00 N ATOM 766 CA THR B 30 -15.762 6.699 -3.279 1.00 0.00 C ATOM 767 C THR B 30 -14.427 7.419 -3.072 1.00 0.00 C ATOM 768 O THR B 30 -14.359 8.598 -3.377 1.00 0.00 O ATOM 769 CB THR B 30 -16.380 6.367 -1.917 1.00 0.00 C ATOM 770 OG1 THR B 30 -17.472 5.477 -2.101 1.00 0.00 O ATOM 771 CG2 THR B 30 -16.874 7.651 -1.249 1.00 0.00 C ATOM 772 OXT THR B 30 -13.496 6.777 -2.613 1.00 0.00 O ATOM 0 H THR B 30 -15.118 4.676 -3.497 1.00 0.00 H new ATOM 0 HA THR B 30 -16.439 7.344 -3.839 1.00 0.00 H new ATOM 0 HB THR B 30 -15.629 5.898 -1.282 1.00 0.00 H new ATOM 0 HG1 THR B 30 -17.868 5.261 -1.231 1.00 0.00 H new ATOM 0 HG21 THR B 30 -17.313 7.412 -0.280 1.00 0.00 H new ATOM 0 HG22 THR B 30 -16.036 8.334 -1.109 1.00 0.00 H new ATOM 0 HG23 THR B 30 -17.626 8.124 -1.881 1.00 0.00 H new TER 780 THR B 30