USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 382 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 8 THR OG1 : rot -32:sc= 0.751 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0788 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc=-0.00423 X(o=-0.0042,f=-0.014) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.418 K(o=-0.42,f=-2.8) USER MOD Single : B 33 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : B 34 GLN : amide:sc= -0.412! C(o=-0.41!,f=-5.9!) USER MOD Single : B 35 HIS : no HE2:sc= 0.153! C(o=0.15!,f=-5.5!) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : B 46 TYR OH : rot 111:sc= 1.1 USER MOD Single : B 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 56 TYR OH : rot 180:sc= 0 USER MOD Single : B 57 THR OG1 : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 173:sc=-0.00594 (180deg=-0.0998) USER MOD Single : B 60 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.576 0.727 0.230 1.00 25.00 N ATOM 2 CA GLY A 1 2.959 0.617 -1.268 1.00 25.00 C ATOM 3 C GLY A 1 3.847 -0.603 -1.609 1.00 25.00 C ATOM 4 O GLY A 1 3.434 -1.486 -2.305 1.00 25.00 O ATOM 0 H1 GLY A 1 1.982 1.568 0.376 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.049 -0.123 0.517 1.00 25.00 H new ATOM 0 H3 GLY A 1 3.439 0.809 0.804 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.046 0.565 -1.862 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.481 1.526 -1.565 1.00 25.00 H new ATOM 9 N ILE A 2 5.075 -0.674 -1.088 1.00 25.00 N ATOM 10 CA ILE A 2 5.925 -1.844 -1.336 1.00 25.00 C ATOM 11 C ILE A 2 5.262 -3.133 -0.897 1.00 25.00 C ATOM 12 O ILE A 2 5.404 -4.185 -1.501 1.00 25.00 O ATOM 13 CB ILE A 2 7.399 -1.665 -0.713 1.00 25.00 C ATOM 14 CG1 ILE A 2 8.391 -2.756 -1.141 1.00 25.00 C ATOM 15 CG2 ILE A 2 7.322 -1.602 0.842 1.00 25.00 C ATOM 16 CD1 ILE A 2 9.806 -2.728 -0.554 1.00 25.00 C ATOM 0 H ILE A 2 5.497 0.048 -0.504 1.00 25.00 H new ATOM 0 HA ILE A 2 6.055 -1.917 -2.416 1.00 25.00 H new ATOM 0 HB ILE A 2 7.782 -0.726 -1.112 1.00 25.00 H new ATOM 0 HG12 ILE A 2 7.949 -3.721 -0.895 1.00 25.00 H new ATOM 0 HG13 ILE A 2 8.481 -2.715 -2.226 1.00 25.00 H new ATOM 0 HG21 ILE A 2 8.325 -1.481 1.251 1.00 25.00 H new ATOM 0 HG22 ILE A 2 6.703 -0.756 1.142 1.00 25.00 H new ATOM 0 HG23 ILE A 2 6.884 -2.525 1.222 1.00 25.00 H new ATOM 0 HD11 ILE A 2 10.382 -3.562 -0.954 1.00 25.00 H new ATOM 0 HD12 ILE A 2 10.292 -1.790 -0.821 1.00 25.00 H new ATOM 0 HD13 ILE A 2 9.751 -2.812 0.531 1.00 25.00 H new ATOM 28 N VAL A 3 4.512 -3.072 0.213 1.00 25.00 N ATOM 29 CA VAL A 3 3.825 -4.255 0.724 1.00 25.00 C ATOM 30 C VAL A 3 2.768 -4.762 -0.233 1.00 25.00 C ATOM 31 O VAL A 3 2.755 -5.918 -0.622 1.00 25.00 O ATOM 32 CB VAL A 3 3.184 -3.897 2.136 1.00 25.00 C ATOM 33 CG1 VAL A 3 2.617 -5.120 2.826 1.00 25.00 C ATOM 34 CG2 VAL A 3 4.228 -3.243 3.089 1.00 25.00 C ATOM 0 H VAL A 3 4.370 -2.226 0.764 1.00 25.00 H new ATOM 0 HA VAL A 3 4.551 -5.061 0.833 1.00 25.00 H new ATOM 0 HB VAL A 3 2.379 -3.192 1.928 1.00 25.00 H new ATOM 0 HG11 VAL A 3 2.190 -4.831 3.786 1.00 25.00 H new ATOM 0 HG12 VAL A 3 1.841 -5.563 2.202 1.00 25.00 H new ATOM 0 HG13 VAL A 3 3.412 -5.848 2.987 1.00 25.00 H new ATOM 0 HG21 VAL A 3 3.755 -3.012 4.043 1.00 25.00 H new ATOM 0 HG22 VAL A 3 5.055 -3.934 3.252 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.606 -2.325 2.640 1.00 25.00 H new ATOM 44 N GLU A 4 1.808 -3.921 -0.610 1.00 25.00 N ATOM 45 CA GLU A 4 0.702 -4.371 -1.528 1.00 25.00 C ATOM 46 C GLU A 4 1.184 -4.753 -2.887 1.00 25.00 C ATOM 47 O GLU A 4 0.617 -5.640 -3.479 1.00 25.00 O ATOM 48 CB GLU A 4 -0.359 -3.278 -1.668 1.00 25.00 C ATOM 49 CG GLU A 4 0.153 -1.879 -2.064 1.00 25.00 C ATOM 50 CD GLU A 4 -0.893 -0.818 -1.894 1.00 25.00 C ATOM 51 OE1 GLU A 4 -1.437 -0.292 -2.824 1.00 25.00 O ATOM 52 OE2 GLU A 4 -1.155 -0.504 -0.674 1.00 25.00 O ATOM 0 H GLU A 4 1.750 -2.946 -0.317 1.00 25.00 H new ATOM 0 HA GLU A 4 0.274 -5.261 -1.066 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.086 -3.600 -2.413 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.890 -3.193 -0.720 1.00 25.00 H new ATOM 0 HG2 GLU A 4 1.023 -1.628 -1.457 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.483 -1.897 -3.103 1.00 25.00 H new ATOM 60 N GLN A 5 2.327 -4.198 -3.321 1.00 25.00 N ATOM 61 CA GLN A 5 2.880 -4.609 -4.591 1.00 25.00 C ATOM 62 C GLN A 5 3.606 -5.958 -4.541 1.00 25.00 C ATOM 63 O GLN A 5 3.452 -6.793 -5.447 1.00 25.00 O ATOM 64 CB GLN A 5 3.816 -3.509 -5.081 1.00 25.00 C ATOM 65 CG GLN A 5 3.103 -2.237 -5.527 1.00 25.00 C ATOM 66 CD GLN A 5 4.121 -1.150 -5.860 1.00 25.00 C ATOM 67 OE1 GLN A 5 5.312 -1.412 -5.898 1.00 25.00 O ATOM 68 NE2 GLN A 5 3.680 0.047 -6.017 1.00 25.00 N ATOM 0 H GLN A 5 2.861 -3.488 -2.820 1.00 25.00 H new ATOM 0 HA GLN A 5 2.052 -4.757 -5.285 1.00 25.00 H new ATOM 0 HB2 GLN A 5 4.515 -3.260 -4.283 1.00 25.00 H new ATOM 0 HB3 GLN A 5 4.406 -3.893 -5.913 1.00 25.00 H new ATOM 0 HG2 GLN A 5 2.484 -2.445 -6.400 1.00 25.00 H new ATOM 0 HG3 GLN A 5 2.435 -1.890 -4.738 1.00 25.00 H new ATOM 0 HE21 GLN A 5 2.677 0.230 -5.979 1.00 25.00 H new ATOM 0 HE22 GLN A 5 4.333 0.814 -6.179 1.00 25.00 H new ATOM 77 N CYS A 6 4.399 -6.166 -3.531 1.00 25.00 N ATOM 78 CA CYS A 6 5.248 -7.364 -3.422 1.00 25.00 C ATOM 79 C CYS A 6 4.498 -8.592 -2.945 1.00 25.00 C ATOM 80 O CYS A 6 4.757 -9.711 -3.361 1.00 25.00 O ATOM 81 CB CYS A 6 6.430 -7.064 -2.465 1.00 25.00 C ATOM 82 SG CYS A 6 7.801 -8.276 -2.556 1.00 25.00 S ATOM 0 H CYS A 6 4.491 -5.521 -2.746 1.00 25.00 H new ATOM 0 HA CYS A 6 5.609 -7.594 -4.424 1.00 25.00 H new ATOM 0 HB2 CYS A 6 6.822 -6.072 -2.691 1.00 25.00 H new ATOM 0 HB3 CYS A 6 6.055 -7.033 -1.442 1.00 25.00 H new ATOM 87 N CYS A 7 3.490 -8.391 -2.080 1.00 25.00 N ATOM 88 CA CYS A 7 2.759 -9.530 -1.553 1.00 25.00 C ATOM 89 C CYS A 7 1.971 -10.363 -2.547 1.00 25.00 C ATOM 90 O CYS A 7 1.536 -11.455 -2.243 1.00 25.00 O ATOM 91 CB CYS A 7 1.799 -9.100 -0.471 1.00 25.00 C ATOM 92 SG CYS A 7 2.543 -8.466 1.085 1.00 25.00 S ATOM 0 H CYS A 7 3.178 -7.479 -1.746 1.00 25.00 H new ATOM 0 HA CYS A 7 3.561 -10.169 -1.183 1.00 25.00 H new ATOM 0 HB2 CYS A 7 1.151 -8.325 -0.879 1.00 25.00 H new ATOM 0 HB3 CYS A 7 1.163 -9.949 -0.223 1.00 25.00 H new ATOM 97 N THR A 8 1.781 -9.824 -3.755 1.00 25.00 N ATOM 98 CA THR A 8 1.026 -10.492 -4.806 1.00 25.00 C ATOM 99 C THR A 8 1.863 -10.774 -6.067 1.00 25.00 C ATOM 100 O THR A 8 1.374 -11.344 -7.059 1.00 25.00 O ATOM 101 CB THR A 8 -0.241 -9.643 -5.226 1.00 25.00 C ATOM 102 OG1 THR A 8 -0.992 -10.316 -6.238 1.00 25.00 O ATOM 103 CG2 THR A 8 0.152 -8.283 -5.781 1.00 25.00 C ATOM 0 H THR A 8 2.148 -8.912 -4.027 1.00 25.00 H new ATOM 0 HA THR A 8 0.719 -11.447 -4.379 1.00 25.00 H new ATOM 0 HB THR A 8 -0.838 -9.516 -4.323 1.00 25.00 H new ATOM 0 HG1 THR A 8 -0.385 -10.836 -6.804 1.00 25.00 H new ATOM 0 HG21 THR A 8 -0.745 -7.730 -6.058 1.00 25.00 H new ATOM 0 HG22 THR A 8 0.702 -7.726 -5.023 1.00 25.00 H new ATOM 0 HG23 THR A 8 0.782 -8.417 -6.661 1.00 25.00 H new ATOM 111 N SER A 9 3.169 -10.400 -6.008 1.00 25.00 N ATOM 112 CA SER A 9 4.037 -10.545 -7.191 1.00 25.00 C ATOM 113 C SER A 9 5.447 -11.071 -6.794 1.00 25.00 C ATOM 114 O SER A 9 5.830 -11.068 -5.638 1.00 25.00 O ATOM 115 CB SER A 9 4.205 -9.198 -7.889 1.00 25.00 C ATOM 116 OG SER A 9 2.950 -8.623 -8.181 1.00 25.00 O ATOM 0 H SER A 9 3.624 -10.010 -5.183 1.00 25.00 H new ATOM 0 HA SER A 9 3.561 -11.262 -7.860 1.00 25.00 H new ATOM 0 HB2 SER A 9 4.780 -8.524 -7.254 1.00 25.00 H new ATOM 0 HB3 SER A 9 4.773 -9.329 -8.810 1.00 25.00 H new ATOM 0 HG SER A 9 3.081 -7.760 -8.627 1.00 25.00 H new ATOM 122 N ILE A 10 6.186 -11.626 -7.757 1.00 25.00 N ATOM 123 CA ILE A 10 7.542 -12.046 -7.424 1.00 25.00 C ATOM 124 C ILE A 10 8.399 -10.808 -7.383 1.00 25.00 C ATOM 125 O ILE A 10 8.450 -10.059 -8.365 1.00 25.00 O ATOM 126 CB ILE A 10 8.106 -13.055 -8.406 1.00 25.00 C ATOM 127 CG1 ILE A 10 7.220 -14.339 -8.424 1.00 25.00 C ATOM 128 CG2 ILE A 10 9.570 -13.357 -8.019 1.00 25.00 C ATOM 129 CD1 ILE A 10 7.392 -15.322 -7.178 1.00 25.00 C ATOM 0 H ILE A 10 5.889 -11.787 -8.719 1.00 25.00 H new ATOM 0 HA ILE A 10 7.530 -12.552 -6.459 1.00 25.00 H new ATOM 0 HB ILE A 10 8.096 -12.651 -9.418 1.00 25.00 H new ATOM 0 HG12 ILE A 10 6.175 -14.035 -8.481 1.00 25.00 H new ATOM 0 HG13 ILE A 10 7.440 -14.896 -9.335 1.00 25.00 H new ATOM 0 HG21 ILE A 10 9.989 -14.082 -8.717 1.00 25.00 H new ATOM 0 HG22 ILE A 10 10.154 -12.437 -8.057 1.00 25.00 H new ATOM 0 HG23 ILE A 10 9.602 -13.766 -7.009 1.00 25.00 H new ATOM 0 HD11 ILE A 10 6.729 -16.179 -7.296 1.00 25.00 H new ATOM 0 HD12 ILE A 10 8.425 -15.667 -7.126 1.00 25.00 H new ATOM 0 HD13 ILE A 10 7.140 -14.792 -6.259 1.00 25.00 H new ATOM 141 N CYS A 11 9.073 -10.601 -6.273 1.00 25.00 N ATOM 142 CA CYS A 11 10.025 -9.509 -6.162 1.00 25.00 C ATOM 143 C CYS A 11 11.483 -9.893 -6.398 1.00 25.00 C ATOM 144 O CYS A 11 12.025 -10.698 -5.715 1.00 25.00 O ATOM 145 CB CYS A 11 9.917 -8.875 -4.755 1.00 25.00 C ATOM 146 SG CYS A 11 8.236 -8.231 -4.544 1.00 25.00 S ATOM 0 H CYS A 11 8.982 -11.172 -5.433 1.00 25.00 H new ATOM 0 HA CYS A 11 9.755 -8.814 -6.957 1.00 25.00 H new ATOM 0 HB2 CYS A 11 10.138 -9.616 -3.987 1.00 25.00 H new ATOM 0 HB3 CYS A 11 10.647 -8.073 -4.643 1.00 25.00 H new ATOM 151 N SER A 12 12.094 -9.286 -7.391 1.00 25.00 N ATOM 152 CA SER A 12 13.481 -9.549 -7.718 1.00 25.00 C ATOM 153 C SER A 12 14.388 -8.726 -6.801 1.00 25.00 C ATOM 154 O SER A 12 13.992 -7.674 -6.337 1.00 25.00 O ATOM 155 CB SER A 12 13.750 -9.238 -9.164 1.00 25.00 C ATOM 156 OG SER A 12 13.653 -7.843 -9.411 1.00 25.00 O ATOM 0 H SER A 12 11.646 -8.597 -7.995 1.00 25.00 H new ATOM 0 HA SER A 12 13.693 -10.607 -7.562 1.00 25.00 H new ATOM 0 HB2 SER A 12 14.745 -9.591 -9.437 1.00 25.00 H new ATOM 0 HB3 SER A 12 13.038 -9.773 -9.793 1.00 25.00 H new ATOM 0 HG SER A 12 13.834 -7.665 -10.358 1.00 25.00 H new ATOM 162 N LEU A 13 15.609 -9.159 -6.621 1.00 25.00 N ATOM 163 CA LEU A 13 16.568 -8.380 -5.826 1.00 25.00 C ATOM 164 C LEU A 13 16.926 -7.082 -6.543 1.00 25.00 C ATOM 165 O LEU A 13 17.080 -6.026 -5.925 1.00 25.00 O ATOM 166 CB LEU A 13 17.867 -9.181 -5.567 1.00 25.00 C ATOM 167 CG LEU A 13 17.826 -10.277 -4.515 1.00 25.00 C ATOM 168 CD1 LEU A 13 19.201 -10.911 -4.404 1.00 25.00 C ATOM 169 CD2 LEU A 13 17.378 -9.772 -3.176 1.00 25.00 C ATOM 0 H LEU A 13 15.975 -10.032 -7.001 1.00 25.00 H new ATOM 0 HA LEU A 13 16.092 -8.157 -4.871 1.00 25.00 H new ATOM 0 HB2 LEU A 13 18.175 -9.633 -6.510 1.00 25.00 H new ATOM 0 HB3 LEU A 13 18.646 -8.473 -5.283 1.00 25.00 H new ATOM 0 HG LEU A 13 17.092 -11.018 -4.832 1.00 25.00 H new ATOM 0 HD11 LEU A 13 19.179 -11.698 -3.651 1.00 25.00 H new ATOM 0 HD12 LEU A 13 19.484 -11.337 -5.366 1.00 25.00 H new ATOM 0 HD13 LEU A 13 19.929 -10.153 -4.115 1.00 25.00 H new ATOM 0 HD21 LEU A 13 17.367 -10.595 -2.462 1.00 25.00 H new ATOM 0 HD22 LEU A 13 18.066 -9.000 -2.829 1.00 25.00 H new ATOM 0 HD23 LEU A 13 16.376 -9.353 -3.262 1.00 25.00 H new ATOM 181 N TYR A 14 16.967 -7.162 -7.883 1.00 25.00 N ATOM 182 CA TYR A 14 17.222 -5.970 -8.715 1.00 25.00 C ATOM 183 C TYR A 14 16.247 -4.884 -8.301 1.00 25.00 C ATOM 184 O TYR A 14 16.642 -3.771 -8.086 1.00 25.00 O ATOM 185 CB TYR A 14 17.070 -6.329 -10.218 1.00 25.00 C ATOM 186 CG TYR A 14 17.630 -5.291 -11.199 1.00 25.00 C ATOM 187 CD1 TYR A 14 19.029 -5.178 -11.436 1.00 25.00 C ATOM 188 CD2 TYR A 14 16.768 -4.409 -11.917 1.00 25.00 C ATOM 189 CE1 TYR A 14 19.515 -4.193 -12.352 1.00 25.00 C ATOM 190 CE2 TYR A 14 17.253 -3.430 -12.831 1.00 25.00 C ATOM 191 CZ TYR A 14 18.617 -3.325 -13.035 1.00 25.00 C ATOM 192 OH TYR A 14 19.105 -2.408 -13.911 1.00 25.00 O ATOM 0 H TYR A 14 16.829 -8.025 -8.409 1.00 25.00 H new ATOM 0 HA TYR A 14 18.240 -5.610 -8.569 1.00 25.00 H new ATOM 0 HB2 TYR A 14 17.568 -7.282 -10.399 1.00 25.00 H new ATOM 0 HB3 TYR A 14 16.012 -6.476 -10.435 1.00 25.00 H new ATOM 0 HD1 TYR A 14 19.720 -5.833 -10.927 1.00 25.00 H new ATOM 0 HD2 TYR A 14 15.702 -4.487 -11.761 1.00 25.00 H new ATOM 0 HE1 TYR A 14 20.577 -4.107 -12.528 1.00 25.00 H new ATOM 0 HE2 TYR A 14 16.568 -2.781 -13.356 1.00 25.00 H new ATOM 0 HH TYR A 14 18.363 -1.895 -14.294 1.00 25.00 H new ATOM 202 N GLN A 15 14.962 -5.214 -8.132 1.00 25.00 N ATOM 203 CA GLN A 15 13.944 -4.223 -7.730 1.00 25.00 C ATOM 204 C GLN A 15 13.991 -3.947 -6.203 1.00 25.00 C ATOM 205 O GLN A 15 14.008 -2.803 -5.798 1.00 25.00 O ATOM 206 CB GLN A 15 12.523 -4.702 -8.099 1.00 25.00 C ATOM 207 CG GLN A 15 11.638 -3.666 -8.757 1.00 25.00 C ATOM 208 CD GLN A 15 11.989 -3.411 -10.219 1.00 25.00 C ATOM 209 OE1 GLN A 15 12.014 -4.322 -11.041 1.00 25.00 O ATOM 210 NE2 GLN A 15 12.262 -2.176 -10.540 1.00 25.00 N ATOM 0 H GLN A 15 14.597 -6.157 -8.266 1.00 25.00 H new ATOM 0 HA GLN A 15 14.173 -3.304 -8.270 1.00 25.00 H new ATOM 0 HB2 GLN A 15 12.609 -5.559 -8.767 1.00 25.00 H new ATOM 0 HB3 GLN A 15 12.030 -5.053 -7.193 1.00 25.00 H new ATOM 0 HG2 GLN A 15 10.600 -3.991 -8.692 1.00 25.00 H new ATOM 0 HG3 GLN A 15 11.714 -2.730 -8.204 1.00 25.00 H new ATOM 0 HE21 GLN A 15 12.231 -1.445 -9.829 1.00 25.00 H new ATOM 0 HE22 GLN A 15 12.507 -1.941 -11.502 1.00 25.00 H new ATOM 219 N LEU A 16 14.022 -4.977 -5.381 1.00 25.00 N ATOM 220 CA LEU A 16 14.037 -4.821 -3.929 1.00 25.00 C ATOM 221 C LEU A 16 15.175 -3.954 -3.412 1.00 25.00 C ATOM 222 O LEU A 16 14.978 -3.123 -2.512 1.00 25.00 O ATOM 223 CB LEU A 16 14.137 -6.214 -3.301 1.00 25.00 C ATOM 224 CG LEU A 16 13.753 -6.349 -1.844 1.00 25.00 C ATOM 225 CD1 LEU A 16 12.226 -6.415 -1.733 1.00 25.00 C ATOM 226 CD2 LEU A 16 14.378 -7.548 -1.145 1.00 25.00 C ATOM 0 H LEU A 16 14.038 -5.948 -5.694 1.00 25.00 H new ATOM 0 HA LEU A 16 13.116 -4.309 -3.649 1.00 25.00 H new ATOM 0 HB2 LEU A 16 13.508 -6.890 -3.879 1.00 25.00 H new ATOM 0 HB3 LEU A 16 15.164 -6.561 -3.412 1.00 25.00 H new ATOM 0 HG LEU A 16 14.146 -5.470 -1.333 1.00 25.00 H new ATOM 0 HD11 LEU A 16 11.941 -6.512 -0.685 1.00 25.00 H new ATOM 0 HD12 LEU A 16 11.792 -5.504 -2.144 1.00 25.00 H new ATOM 0 HD13 LEU A 16 11.858 -7.276 -2.291 1.00 25.00 H new ATOM 0 HD21 LEU A 16 14.053 -7.573 -0.105 1.00 25.00 H new ATOM 0 HD22 LEU A 16 14.065 -8.465 -1.645 1.00 25.00 H new ATOM 0 HD23 LEU A 16 15.464 -7.466 -1.184 1.00 25.00 H new ATOM 238 N GLU A 17 16.363 -4.082 -4.009 1.00 25.00 N ATOM 239 CA GLU A 17 17.469 -3.280 -3.566 1.00 25.00 C ATOM 240 C GLU A 17 17.270 -1.799 -3.785 1.00 25.00 C ATOM 241 O GLU A 17 17.934 -1.004 -3.150 1.00 25.00 O ATOM 242 CB GLU A 17 18.747 -3.766 -4.244 1.00 25.00 C ATOM 243 CG GLU A 17 19.304 -4.984 -3.475 1.00 25.00 C ATOM 244 CD GLU A 17 20.470 -5.616 -4.168 1.00 25.00 C ATOM 245 OE1 GLU A 17 20.541 -6.779 -4.399 1.00 25.00 O ATOM 246 OE2 GLU A 17 21.395 -4.766 -4.523 1.00 25.00 O ATOM 0 H GLU A 17 16.566 -4.720 -4.779 1.00 25.00 H new ATOM 0 HA GLU A 17 17.547 -3.405 -2.486 1.00 25.00 H new ATOM 0 HB2 GLU A 17 18.542 -4.038 -5.279 1.00 25.00 H new ATOM 0 HB3 GLU A 17 19.487 -2.966 -4.266 1.00 25.00 H new ATOM 0 HG2 GLU A 17 19.606 -4.671 -2.475 1.00 25.00 H new ATOM 0 HG3 GLU A 17 18.514 -5.724 -3.352 1.00 25.00 H new ATOM 254 N ASN A 18 16.351 -1.414 -4.682 1.00 25.00 N ATOM 255 CA ASN A 18 16.101 -0.011 -4.945 1.00 25.00 C ATOM 256 C ASN A 18 15.491 0.676 -3.767 1.00 25.00 C ATOM 257 O ASN A 18 15.631 1.871 -3.600 1.00 25.00 O ATOM 258 CB ASN A 18 15.165 0.166 -6.128 1.00 25.00 C ATOM 259 CG ASN A 18 15.271 1.552 -6.759 1.00 25.00 C ATOM 260 OD1 ASN A 18 14.583 2.500 -6.399 1.00 25.00 O ATOM 261 ND2 ASN A 18 16.141 1.670 -7.698 1.00 25.00 N ATOM 0 H ASN A 18 15.778 -2.058 -5.228 1.00 25.00 H new ATOM 0 HA ASN A 18 17.071 0.435 -5.163 1.00 25.00 H new ATOM 0 HB2 ASN A 18 15.390 -0.590 -6.881 1.00 25.00 H new ATOM 0 HB3 ASN A 18 14.139 -0.003 -5.803 1.00 25.00 H new ATOM 0 HD21 ASN A 18 16.271 2.569 -8.162 1.00 25.00 H new ATOM 0 HD22 ASN A 18 16.701 0.865 -7.979 1.00 25.00 H new ATOM 268 N TYR A 19 14.867 -0.127 -2.896 1.00 25.00 N ATOM 269 CA TYR A 19 14.282 0.427 -1.689 1.00 25.00 C ATOM 270 C TYR A 19 15.315 0.562 -0.576 1.00 25.00 C ATOM 271 O TYR A 19 15.009 1.096 0.477 1.00 25.00 O ATOM 272 CB TYR A 19 13.171 -0.464 -1.165 1.00 25.00 C ATOM 273 CG TYR A 19 12.019 -0.563 -2.126 1.00 25.00 C ATOM 274 CD1 TYR A 19 10.991 0.424 -2.140 1.00 25.00 C ATOM 275 CD2 TYR A 19 11.965 -1.619 -3.068 1.00 25.00 C ATOM 276 CE1 TYR A 19 9.955 0.359 -3.041 1.00 25.00 C ATOM 277 CE2 TYR A 19 10.934 -1.671 -4.007 1.00 25.00 C ATOM 278 CZ TYR A 19 9.927 -0.682 -3.981 1.00 25.00 C ATOM 279 OH TYR A 19 8.925 -0.715 -4.894 1.00 25.00 O ATOM 0 H TYR A 19 14.760 -1.135 -3.007 1.00 25.00 H new ATOM 0 HA TYR A 19 13.893 1.408 -1.961 1.00 25.00 H new ATOM 0 HB2 TYR A 19 13.568 -1.461 -0.973 1.00 25.00 H new ATOM 0 HB3 TYR A 19 12.814 -0.074 -0.212 1.00 25.00 H new ATOM 0 HD1 TYR A 19 11.027 1.237 -1.430 1.00 25.00 H new ATOM 0 HD2 TYR A 19 12.724 -2.387 -3.060 1.00 25.00 H new ATOM 0 HE1 TYR A 19 9.171 1.101 -3.025 1.00 25.00 H new ATOM 0 HE2 TYR A 19 10.907 -2.459 -4.745 1.00 25.00 H new ATOM 0 HH TYR A 19 9.040 -1.493 -5.478 1.00 25.00 H new ATOM 289 N CYS A 20 16.512 0.063 -0.784 1.00 25.00 N ATOM 290 CA CYS A 20 17.590 0.198 0.203 1.00 25.00 C ATOM 291 C CYS A 20 18.375 1.477 -0.031 1.00 25.00 C ATOM 292 O CYS A 20 18.436 2.355 0.811 1.00 25.00 O ATOM 293 CB CYS A 20 18.557 -1.001 0.161 1.00 25.00 C ATOM 294 SG CYS A 20 20.159 -0.668 1.014 1.00 25.00 S ATOM 0 H CYS A 20 16.777 -0.445 -1.628 1.00 25.00 H new ATOM 0 HA CYS A 20 17.118 0.230 1.185 1.00 25.00 H new ATOM 0 HB2 CYS A 20 18.078 -1.863 0.624 1.00 25.00 H new ATOM 0 HB3 CYS A 20 18.753 -1.266 -0.878 1.00 25.00 H new ATOM 299 N ASN A 21 18.888 1.638 -1.274 1.00 25.00 N ATOM 300 CA ASN A 21 19.567 2.903 -1.678 1.00 25.00 C ATOM 301 C ASN A 21 18.636 4.108 -1.900 1.00 25.00 C ATOM 302 O ASN A 21 18.847 5.165 -1.395 1.00 25.00 O ATOM 303 CB ASN A 21 20.513 2.670 -2.899 1.00 25.00 C ATOM 304 CG ASN A 21 19.786 2.486 -4.209 1.00 25.00 C ATOM 305 OD1 ASN A 21 18.798 1.840 -4.310 1.00 25.00 O ATOM 306 ND2 ASN A 21 20.278 3.089 -5.277 1.00 25.00 N ATOM 307 OXT ASN A 21 17.656 3.922 -2.712 1.00 25.00 O ATOM 0 H ASN A 21 18.849 0.927 -2.004 1.00 25.00 H new ATOM 0 HA ASN A 21 20.167 3.186 -0.813 1.00 25.00 H new ATOM 0 HB2 ASN A 21 21.192 3.518 -2.987 1.00 25.00 H new ATOM 0 HB3 ASN A 21 21.126 1.789 -2.708 1.00 25.00 H new ATOM 0 HD21 ASN A 21 19.808 2.996 -6.177 1.00 25.00 H new ATOM 0 HD22 ASN A 21 21.128 3.648 -5.201 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 31 19.214 -16.783 -3.656 1.00 25.00 N ATOM 317 CA PHE B 31 18.048 -16.017 -3.128 1.00 25.00 C ATOM 318 C PHE B 31 16.752 -16.729 -3.326 1.00 25.00 C ATOM 319 O PHE B 31 16.600 -17.625 -4.150 1.00 25.00 O ATOM 320 CB PHE B 31 17.941 -14.697 -3.905 1.00 25.00 C ATOM 321 CG PHE B 31 16.878 -13.737 -3.388 1.00 25.00 C ATOM 322 CD1 PHE B 31 16.949 -13.277 -2.054 1.00 25.00 C ATOM 323 CD2 PHE B 31 15.785 -13.400 -4.214 1.00 25.00 C ATOM 324 CE1 PHE B 31 15.922 -12.418 -1.610 1.00 25.00 C ATOM 325 CE2 PHE B 31 14.740 -12.584 -3.708 1.00 25.00 C ATOM 326 CZ PHE B 31 14.837 -12.099 -2.411 1.00 25.00 C ATOM 0 HA PHE B 31 18.217 -15.876 -2.060 1.00 25.00 H new ATOM 0 HB2 PHE B 31 18.908 -14.195 -3.877 1.00 25.00 H new ATOM 0 HB3 PHE B 31 17.729 -14.923 -4.950 1.00 25.00 H new ATOM 0 HD1 PHE B 31 17.757 -13.571 -1.401 1.00 25.00 H new ATOM 0 HD2 PHE B 31 15.744 -13.763 -5.230 1.00 25.00 H new ATOM 0 HE1 PHE B 31 15.983 -11.997 -0.617 1.00 25.00 H new ATOM 0 HE2 PHE B 31 13.884 -12.344 -4.321 1.00 25.00 H new ATOM 0 HZ PHE B 31 14.056 -11.464 -2.020 1.00 25.00 H new ATOM 337 N VAL B 32 15.777 -16.363 -2.510 1.00 25.00 N ATOM 338 CA VAL B 32 14.425 -16.936 -2.600 1.00 25.00 C ATOM 339 C VAL B 32 13.512 -15.936 -3.377 1.00 25.00 C ATOM 340 O VAL B 32 13.178 -14.887 -2.901 1.00 25.00 O ATOM 341 CB VAL B 32 13.855 -17.211 -1.166 1.00 25.00 C ATOM 342 CG1 VAL B 32 12.498 -17.878 -1.315 1.00 25.00 C ATOM 343 CG2 VAL B 32 14.827 -18.048 -0.303 1.00 25.00 C ATOM 0 H VAL B 32 15.888 -15.669 -1.771 1.00 25.00 H new ATOM 0 HA VAL B 32 14.458 -17.887 -3.132 1.00 25.00 H new ATOM 0 HB VAL B 32 13.739 -16.267 -0.633 1.00 25.00 H new ATOM 0 HG11 VAL B 32 12.081 -18.079 -0.328 1.00 25.00 H new ATOM 0 HG12 VAL B 32 11.827 -17.218 -1.865 1.00 25.00 H new ATOM 0 HG13 VAL B 32 12.611 -18.816 -1.859 1.00 25.00 H new ATOM 0 HG21 VAL B 32 14.389 -18.213 0.682 1.00 25.00 H new ATOM 0 HG22 VAL B 32 15.007 -19.009 -0.786 1.00 25.00 H new ATOM 0 HG23 VAL B 32 15.771 -17.513 -0.195 1.00 25.00 H new ATOM 353 N ASN B 33 13.110 -16.313 -4.582 1.00 25.00 N ATOM 354 CA ASN B 33 12.152 -15.516 -5.339 1.00 25.00 C ATOM 355 C ASN B 33 10.753 -15.727 -4.778 1.00 25.00 C ATOM 356 O ASN B 33 10.090 -16.732 -5.013 1.00 25.00 O ATOM 357 CB ASN B 33 12.196 -15.932 -6.807 1.00 25.00 C ATOM 358 CG ASN B 33 13.532 -15.633 -7.408 1.00 25.00 C ATOM 359 OD1 ASN B 33 14.157 -14.638 -7.069 1.00 25.00 O ATOM 360 ND2 ASN B 33 14.015 -16.519 -8.246 1.00 25.00 N ATOM 0 H ASN B 33 13.428 -17.159 -5.055 1.00 25.00 H new ATOM 0 HA ASN B 33 12.409 -14.460 -5.257 1.00 25.00 H new ATOM 0 HB2 ASN B 33 11.985 -16.998 -6.893 1.00 25.00 H new ATOM 0 HB3 ASN B 33 11.418 -15.407 -7.361 1.00 25.00 H new ATOM 0 HD21 ASN B 33 14.946 -16.392 -8.642 1.00 25.00 H new ATOM 0 HD22 ASN B 33 13.459 -17.335 -8.502 1.00 25.00 H new ATOM 367 N GLN B 34 10.373 -14.802 -3.910 1.00 25.00 N ATOM 368 CA GLN B 34 9.164 -14.931 -3.125 1.00 25.00 C ATOM 369 C GLN B 34 8.372 -13.633 -3.092 1.00 25.00 C ATOM 370 O GLN B 34 8.779 -12.637 -3.658 1.00 25.00 O ATOM 371 CB GLN B 34 9.557 -15.269 -1.670 1.00 25.00 C ATOM 372 CG GLN B 34 8.980 -16.531 -1.161 1.00 25.00 C ATOM 373 CD GLN B 34 7.501 -16.376 -0.828 1.00 25.00 C ATOM 374 OE1 GLN B 34 7.100 -15.431 -0.135 1.00 25.00 O ATOM 375 NE2 GLN B 34 6.675 -17.292 -1.341 1.00 25.00 N ATOM 0 H GLN B 34 10.896 -13.944 -3.733 1.00 25.00 H new ATOM 0 HA GLN B 34 8.551 -15.710 -3.579 1.00 25.00 H new ATOM 0 HB2 GLN B 34 10.643 -15.327 -1.604 1.00 25.00 H new ATOM 0 HB3 GLN B 34 9.242 -14.452 -1.022 1.00 25.00 H new ATOM 0 HG2 GLN B 34 9.106 -17.316 -1.907 1.00 25.00 H new ATOM 0 HG3 GLN B 34 9.523 -16.847 -0.270 1.00 25.00 H new ATOM 0 HE21 GLN B 34 7.047 -18.055 -1.907 1.00 25.00 H new ATOM 0 HE22 GLN B 34 5.672 -17.229 -1.167 1.00 25.00 H new ATOM 384 N HIS B 35 7.220 -13.693 -2.453 1.00 25.00 N ATOM 385 CA HIS B 35 6.318 -12.564 -2.280 1.00 25.00 C ATOM 386 C HIS B 35 6.557 -11.822 -0.986 1.00 25.00 C ATOM 387 O HIS B 35 6.309 -10.658 -0.944 1.00 25.00 O ATOM 388 CB HIS B 35 4.854 -13.087 -2.310 1.00 25.00 C ATOM 389 CG HIS B 35 4.531 -13.870 -3.561 1.00 25.00 C ATOM 390 ND1 HIS B 35 4.747 -13.403 -4.835 1.00 25.00 N ATOM 391 CD2 HIS B 35 4.046 -15.139 -3.737 1.00 25.00 C ATOM 392 CE1 HIS B 35 4.379 -14.310 -5.723 1.00 25.00 C ATOM 393 NE2 HIS B 35 3.980 -15.383 -5.090 1.00 25.00 N ATOM 0 H HIS B 35 6.873 -14.552 -2.026 1.00 25.00 H new ATOM 0 HA HIS B 35 6.503 -11.862 -3.093 1.00 25.00 H new ATOM 0 HB2 HIS B 35 4.682 -13.719 -1.438 1.00 25.00 H new ATOM 0 HB3 HIS B 35 4.171 -12.242 -2.231 1.00 25.00 H new ATOM 0 HD1 HIS B 35 5.136 -12.488 -5.063 1.00 25.00 H new ATOM 0 HD2 HIS B 35 3.765 -15.826 -2.953 1.00 25.00 H new ATOM 0 HE1 HIS B 35 4.404 -14.186 -6.796 1.00 25.00 H new ATOM 402 N LEU B 36 7.033 -12.511 0.053 1.00 25.00 N ATOM 403 CA LEU B 36 7.377 -11.866 1.339 1.00 25.00 C ATOM 404 C LEU B 36 6.327 -10.871 1.867 1.00 25.00 C ATOM 405 O LEU B 36 6.439 -9.676 1.625 1.00 25.00 O ATOM 406 CB LEU B 36 8.789 -11.172 1.198 1.00 25.00 C ATOM 407 CG LEU B 36 9.994 -11.969 0.681 1.00 25.00 C ATOM 408 CD1 LEU B 36 11.138 -11.051 0.270 1.00 25.00 C ATOM 409 CD2 LEU B 36 10.444 -12.959 1.833 1.00 25.00 C ATOM 0 H LEU B 36 7.192 -13.518 0.037 1.00 25.00 H new ATOM 0 HA LEU B 36 7.402 -12.657 2.089 1.00 25.00 H new ATOM 0 HB2 LEU B 36 8.662 -10.314 0.538 1.00 25.00 H new ATOM 0 HB3 LEU B 36 9.057 -10.782 2.180 1.00 25.00 H new ATOM 0 HG LEU B 36 9.713 -12.528 -0.212 1.00 25.00 H new ATOM 0 HD11 LEU B 36 11.974 -11.650 -0.091 1.00 25.00 H new ATOM 0 HD12 LEU B 36 10.802 -10.383 -0.523 1.00 25.00 H new ATOM 0 HD13 LEU B 36 11.458 -10.462 1.129 1.00 25.00 H new ATOM 0 HD21 LEU B 36 11.301 -13.542 1.497 1.00 25.00 H new ATOM 0 HD22 LEU B 36 10.720 -12.386 2.718 1.00 25.00 H new ATOM 0 HD23 LEU B 36 9.621 -13.631 2.077 1.00 25.00 H new ATOM 421 N CYS B 37 5.392 -11.347 2.673 1.00 25.00 N ATOM 422 CA CYS B 37 4.286 -10.504 3.174 1.00 25.00 C ATOM 423 C CYS B 37 4.198 -10.496 4.704 1.00 25.00 C ATOM 424 O CYS B 37 3.997 -11.531 5.305 1.00 25.00 O ATOM 425 CB CYS B 37 2.953 -10.966 2.586 1.00 25.00 C ATOM 426 SG CYS B 37 1.712 -9.644 2.434 1.00 25.00 S ATOM 0 H CYS B 37 5.365 -12.312 3.002 1.00 25.00 H new ATOM 0 HA CYS B 37 4.499 -9.485 2.851 1.00 25.00 H new ATOM 0 HB2 CYS B 37 3.132 -11.397 1.601 1.00 25.00 H new ATOM 0 HB3 CYS B 37 2.547 -11.761 3.212 1.00 25.00 H new ATOM 431 N GLY B 38 4.499 -9.323 5.303 1.00 25.00 N ATOM 432 CA GLY B 38 4.476 -9.174 6.753 1.00 25.00 C ATOM 433 C GLY B 38 5.659 -9.775 7.482 1.00 25.00 C ATOM 434 O GLY B 38 6.014 -10.920 7.223 1.00 25.00 O ATOM 0 H GLY B 38 4.758 -8.476 4.797 1.00 25.00 H new ATOM 0 HA2 GLY B 38 4.424 -8.112 6.992 1.00 25.00 H new ATOM 0 HA3 GLY B 38 3.564 -9.632 7.135 1.00 25.00 H new ATOM 438 N SER B 39 6.280 -8.986 8.334 1.00 25.00 N ATOM 439 CA SER B 39 7.562 -9.333 9.079 1.00 25.00 C ATOM 440 C SER B 39 8.778 -9.688 8.191 1.00 25.00 C ATOM 441 O SER B 39 9.749 -8.923 8.080 1.00 25.00 O ATOM 442 CB SER B 39 7.259 -10.442 10.077 1.00 25.00 C ATOM 443 OG SER B 39 6.214 -10.153 10.975 1.00 25.00 O ATOM 0 H SER B 39 5.933 -8.054 8.562 1.00 25.00 H new ATOM 0 HA SER B 39 7.880 -8.423 9.587 1.00 25.00 H new ATOM 0 HB2 SER B 39 7.007 -11.349 9.527 1.00 25.00 H new ATOM 0 HB3 SER B 39 8.162 -10.656 10.648 1.00 25.00 H new ATOM 0 HG SER B 39 6.082 -10.914 11.579 1.00 25.00 H new ATOM 449 N HIS B 40 8.648 -10.762 7.400 1.00 25.00 N ATOM 450 CA HIS B 40 9.666 -11.283 6.457 1.00 25.00 C ATOM 451 C HIS B 40 10.045 -10.318 5.335 1.00 25.00 C ATOM 452 O HIS B 40 11.185 -10.268 4.941 1.00 25.00 O ATOM 453 CB HIS B 40 9.165 -12.649 5.913 1.00 25.00 C ATOM 454 CG HIS B 40 9.697 -13.829 6.685 1.00 25.00 C ATOM 455 ND1 HIS B 40 10.262 -14.954 6.070 1.00 25.00 N ATOM 456 CD2 HIS B 40 9.751 -14.100 8.007 1.00 25.00 C ATOM 457 CE1 HIS B 40 10.665 -15.806 6.998 1.00 25.00 C ATOM 458 NE2 HIS B 40 10.347 -15.328 8.178 1.00 25.00 N ATOM 0 H HIS B 40 7.795 -11.321 7.394 1.00 25.00 H new ATOM 0 HA HIS B 40 10.599 -11.410 7.006 1.00 25.00 H new ATOM 0 HB2 HIS B 40 8.076 -12.666 5.942 1.00 25.00 H new ATOM 0 HB3 HIS B 40 9.458 -12.746 4.868 1.00 25.00 H new ATOM 0 HD2 HIS B 40 9.387 -13.460 8.797 1.00 25.00 H new ATOM 0 HE1 HIS B 40 11.172 -16.742 6.815 1.00 25.00 H new ATOM 0 HE2 HIS B 40 10.514 -15.790 9.072 1.00 25.00 H new ATOM 467 N LEU B 41 9.102 -9.468 4.876 1.00 25.00 N ATOM 468 CA LEU B 41 9.468 -8.438 3.845 1.00 25.00 C ATOM 469 C LEU B 41 10.571 -7.537 4.320 1.00 25.00 C ATOM 470 O LEU B 41 11.660 -7.505 3.775 1.00 25.00 O ATOM 471 CB LEU B 41 8.245 -7.589 3.416 1.00 25.00 C ATOM 472 CG LEU B 41 8.456 -6.479 2.333 1.00 25.00 C ATOM 473 CD1 LEU B 41 9.052 -7.097 1.056 1.00 25.00 C ATOM 474 CD2 LEU B 41 7.102 -5.831 1.988 1.00 25.00 C ATOM 0 H LEU B 41 8.127 -9.459 5.175 1.00 25.00 H new ATOM 0 HA LEU B 41 9.825 -8.992 2.977 1.00 25.00 H new ATOM 0 HB2 LEU B 41 7.479 -8.272 3.048 1.00 25.00 H new ATOM 0 HB3 LEU B 41 7.843 -7.110 4.309 1.00 25.00 H new ATOM 0 HG LEU B 41 9.139 -5.727 2.727 1.00 25.00 H new ATOM 0 HD11 LEU B 41 9.196 -6.318 0.307 1.00 25.00 H new ATOM 0 HD12 LEU B 41 10.012 -7.558 1.289 1.00 25.00 H new ATOM 0 HD13 LEU B 41 8.371 -7.854 0.666 1.00 25.00 H new ATOM 0 HD21 LEU B 41 7.250 -5.058 1.234 1.00 25.00 H new ATOM 0 HD22 LEU B 41 6.423 -6.591 1.601 1.00 25.00 H new ATOM 0 HD23 LEU B 41 6.673 -5.385 2.885 1.00 25.00 H new ATOM 486 N VAL B 42 10.327 -6.875 5.452 1.00 25.00 N ATOM 487 CA VAL B 42 11.308 -5.954 5.993 1.00 25.00 C ATOM 488 C VAL B 42 12.557 -6.659 6.569 1.00 25.00 C ATOM 489 O VAL B 42 13.636 -6.095 6.601 1.00 25.00 O ATOM 490 CB VAL B 42 10.663 -5.016 7.052 1.00 25.00 C ATOM 491 CG1 VAL B 42 9.544 -4.181 6.368 1.00 25.00 C ATOM 492 CG2 VAL B 42 10.064 -5.838 8.252 1.00 25.00 C ATOM 0 H VAL B 42 9.471 -6.962 5.999 1.00 25.00 H new ATOM 0 HA VAL B 42 11.657 -5.352 5.154 1.00 25.00 H new ATOM 0 HB VAL B 42 11.432 -4.356 7.454 1.00 25.00 H new ATOM 0 HG11 VAL B 42 9.084 -3.519 7.102 1.00 25.00 H new ATOM 0 HG12 VAL B 42 9.975 -3.586 5.562 1.00 25.00 H new ATOM 0 HG13 VAL B 42 8.788 -4.851 5.960 1.00 25.00 H new ATOM 0 HG21 VAL B 42 9.620 -5.154 8.976 1.00 25.00 H new ATOM 0 HG22 VAL B 42 9.299 -6.520 7.880 1.00 25.00 H new ATOM 0 HG23 VAL B 42 10.857 -6.410 8.733 1.00 25.00 H new ATOM 502 N GLU B 43 12.404 -7.928 6.959 1.00 25.00 N ATOM 503 CA GLU B 43 13.550 -8.706 7.448 1.00 25.00 C ATOM 504 C GLU B 43 14.546 -9.055 6.303 1.00 25.00 C ATOM 505 O GLU B 43 15.765 -8.844 6.413 1.00 25.00 O ATOM 506 CB GLU B 43 13.074 -9.976 8.140 1.00 25.00 C ATOM 507 CG GLU B 43 14.185 -10.859 8.656 1.00 25.00 C ATOM 508 CD GLU B 43 13.654 -12.211 9.104 1.00 25.00 C ATOM 509 OE1 GLU B 43 12.646 -12.685 8.663 1.00 25.00 O ATOM 510 OE2 GLU B 43 14.324 -12.763 10.079 1.00 25.00 O ATOM 0 H GLU B 43 11.517 -8.432 6.947 1.00 25.00 H new ATOM 0 HA GLU B 43 14.082 -8.085 8.169 1.00 25.00 H new ATOM 0 HB2 GLU B 43 12.428 -9.701 8.974 1.00 25.00 H new ATOM 0 HB3 GLU B 43 12.465 -10.550 7.441 1.00 25.00 H new ATOM 0 HG2 GLU B 43 14.932 -11.000 7.875 1.00 25.00 H new ATOM 0 HG3 GLU B 43 14.685 -10.368 9.491 1.00 25.00 H new ATOM 518 N ALA B 44 14.025 -9.495 5.193 1.00 25.00 N ATOM 519 CA ALA B 44 14.819 -9.723 3.973 1.00 25.00 C ATOM 520 C ALA B 44 15.460 -8.386 3.462 1.00 25.00 C ATOM 521 O ALA B 44 16.636 -8.324 3.167 1.00 25.00 O ATOM 522 CB ALA B 44 13.907 -10.334 2.894 1.00 25.00 C ATOM 0 H ALA B 44 13.034 -9.713 5.087 1.00 25.00 H new ATOM 0 HA ALA B 44 15.634 -10.411 4.197 1.00 25.00 H new ATOM 0 HB1 ALA B 44 14.484 -10.507 1.986 1.00 25.00 H new ATOM 0 HB2 ALA B 44 13.502 -11.280 3.253 1.00 25.00 H new ATOM 0 HB3 ALA B 44 13.088 -9.648 2.678 1.00 25.00 H new ATOM 528 N LEU B 45 14.673 -7.324 3.335 1.00 25.00 N ATOM 529 CA LEU B 45 15.222 -6.015 2.918 1.00 25.00 C ATOM 530 C LEU B 45 16.341 -5.554 3.865 1.00 25.00 C ATOM 531 O LEU B 45 17.376 -5.110 3.386 1.00 25.00 O ATOM 532 CB LEU B 45 14.105 -4.981 2.866 1.00 25.00 C ATOM 533 CG LEU B 45 14.099 -4.047 1.631 1.00 25.00 C ATOM 534 CD1 LEU B 45 12.759 -3.370 1.509 1.00 25.00 C ATOM 535 CD2 LEU B 45 15.196 -2.996 1.686 1.00 25.00 C ATOM 0 H LEU B 45 13.668 -7.329 3.509 1.00 25.00 H new ATOM 0 HA LEU B 45 15.655 -6.123 1.924 1.00 25.00 H new ATOM 0 HB2 LEU B 45 13.150 -5.505 2.904 1.00 25.00 H new ATOM 0 HB3 LEU B 45 14.166 -4.364 3.763 1.00 25.00 H new ATOM 0 HG LEU B 45 14.289 -4.671 0.758 1.00 25.00 H new ATOM 0 HD11 LEU B 45 12.761 -2.714 0.638 1.00 25.00 H new ATOM 0 HD12 LEU B 45 11.980 -4.123 1.394 1.00 25.00 H new ATOM 0 HD13 LEU B 45 12.566 -2.782 2.406 1.00 25.00 H new ATOM 0 HD21 LEU B 45 15.145 -2.369 0.796 1.00 25.00 H new ATOM 0 HD22 LEU B 45 15.063 -2.377 2.573 1.00 25.00 H new ATOM 0 HD23 LEU B 45 16.168 -3.487 1.729 1.00 25.00 H new ATOM 547 N TYR B 46 16.178 -5.690 5.177 1.00 25.00 N ATOM 548 CA TYR B 46 17.208 -5.295 6.151 1.00 25.00 C ATOM 549 C TYR B 46 18.498 -6.087 5.896 1.00 25.00 C ATOM 550 O TYR B 46 19.615 -5.543 5.909 1.00 25.00 O ATOM 551 CB TYR B 46 16.734 -5.594 7.600 1.00 25.00 C ATOM 552 CG TYR B 46 17.809 -5.459 8.630 1.00 25.00 C ATOM 553 CD1 TYR B 46 18.107 -4.212 9.174 1.00 25.00 C ATOM 554 CD2 TYR B 46 18.489 -6.581 9.075 1.00 25.00 C ATOM 555 CE1 TYR B 46 19.129 -4.074 10.155 1.00 25.00 C ATOM 556 CE2 TYR B 46 19.516 -6.470 10.069 1.00 25.00 C ATOM 557 CZ TYR B 46 19.795 -5.212 10.602 1.00 25.00 C ATOM 558 OH TYR B 46 20.747 -5.007 11.560 1.00 25.00 O ATOM 0 H TYR B 46 15.334 -6.075 5.601 1.00 25.00 H new ATOM 0 HA TYR B 46 17.388 -4.226 6.036 1.00 25.00 H new ATOM 0 HB2 TYR B 46 15.917 -4.918 7.851 1.00 25.00 H new ATOM 0 HB3 TYR B 46 16.333 -6.607 7.639 1.00 25.00 H new ATOM 0 HD1 TYR B 46 17.557 -3.341 8.848 1.00 25.00 H new ATOM 0 HD2 TYR B 46 18.243 -7.551 8.668 1.00 25.00 H new ATOM 0 HE1 TYR B 46 19.384 -3.101 10.547 1.00 25.00 H new ATOM 0 HE2 TYR B 46 20.062 -7.342 10.398 1.00 25.00 H new ATOM 0 HH TYR B 46 20.445 -5.393 12.409 1.00 25.00 H new ATOM 568 N LEU B 47 18.335 -7.394 5.730 1.00 25.00 N ATOM 569 CA LEU B 47 19.480 -8.277 5.592 1.00 25.00 C ATOM 570 C LEU B 47 20.253 -7.940 4.274 1.00 25.00 C ATOM 571 O LEU B 47 21.481 -7.891 4.272 1.00 25.00 O ATOM 572 CB LEU B 47 18.962 -9.737 5.549 1.00 25.00 C ATOM 573 CG LEU B 47 18.564 -10.365 6.885 1.00 25.00 C ATOM 574 CD1 LEU B 47 17.791 -11.639 6.529 1.00 25.00 C ATOM 575 CD2 LEU B 47 19.744 -10.722 7.784 1.00 25.00 C ATOM 0 H LEU B 47 17.429 -7.860 5.688 1.00 25.00 H new ATOM 0 HA LEU B 47 20.162 -8.148 6.433 1.00 25.00 H new ATOM 0 HB2 LEU B 47 18.098 -9.772 4.886 1.00 25.00 H new ATOM 0 HB3 LEU B 47 19.735 -10.359 5.098 1.00 25.00 H new ATOM 0 HG LEU B 47 17.980 -9.643 7.455 1.00 25.00 H new ATOM 0 HD11 LEU B 47 17.475 -12.140 7.444 1.00 25.00 H new ATOM 0 HD12 LEU B 47 16.914 -11.379 5.936 1.00 25.00 H new ATOM 0 HD13 LEU B 47 18.433 -12.305 5.953 1.00 25.00 H new ATOM 0 HD21 LEU B 47 19.375 -11.162 8.711 1.00 25.00 H new ATOM 0 HD22 LEU B 47 20.387 -11.439 7.273 1.00 25.00 H new ATOM 0 HD23 LEU B 47 20.314 -9.821 8.011 1.00 25.00 H new ATOM 587 N VAL B 48 19.570 -7.763 3.135 1.00 25.00 N ATOM 588 CA VAL B 48 20.272 -7.483 1.848 1.00 25.00 C ATOM 589 C VAL B 48 20.871 -6.083 1.883 1.00 25.00 C ATOM 590 O VAL B 48 21.923 -5.868 1.286 1.00 25.00 O ATOM 591 CB VAL B 48 19.293 -7.653 0.592 1.00 25.00 C ATOM 592 CG1 VAL B 48 18.266 -6.567 0.487 1.00 25.00 C ATOM 593 CG2 VAL B 48 20.059 -7.797 -0.748 1.00 25.00 C ATOM 0 H VAL B 48 18.553 -7.805 3.064 1.00 25.00 H new ATOM 0 HA VAL B 48 21.074 -8.212 1.730 1.00 25.00 H new ATOM 0 HB VAL B 48 18.762 -8.586 0.782 1.00 25.00 H new ATOM 0 HG11 VAL B 48 17.637 -6.744 -0.385 1.00 25.00 H new ATOM 0 HG12 VAL B 48 17.648 -6.562 1.385 1.00 25.00 H new ATOM 0 HG13 VAL B 48 18.765 -5.603 0.385 1.00 25.00 H new ATOM 0 HG21 VAL B 48 19.346 -7.909 -1.565 1.00 25.00 H new ATOM 0 HG22 VAL B 48 20.667 -6.908 -0.917 1.00 25.00 H new ATOM 0 HG23 VAL B 48 20.704 -8.675 -0.706 1.00 25.00 H new ATOM 603 N CYS B 49 20.236 -5.130 2.591 1.00 25.00 N ATOM 604 CA CYS B 49 20.728 -3.698 2.648 1.00 25.00 C ATOM 605 C CYS B 49 21.918 -3.537 3.565 1.00 25.00 C ATOM 606 O CYS B 49 22.770 -2.712 3.392 1.00 25.00 O ATOM 607 CB CYS B 49 19.540 -2.796 3.109 1.00 25.00 C ATOM 608 SG CYS B 49 19.667 -0.985 2.921 1.00 25.00 S ATOM 0 H CYS B 49 19.389 -5.300 3.133 1.00 25.00 H new ATOM 0 HA CYS B 49 21.070 -3.399 1.657 1.00 25.00 H new ATOM 0 HB2 CYS B 49 18.653 -3.120 2.565 1.00 25.00 H new ATOM 0 HB3 CYS B 49 19.361 -3.004 4.164 1.00 25.00 H new ATOM 613 N GLY B 50 21.955 -4.330 4.635 1.00 25.00 N ATOM 614 CA GLY B 50 23.034 -4.230 5.583 1.00 25.00 C ATOM 615 C GLY B 50 22.882 -3.031 6.496 1.00 25.00 C ATOM 616 O GLY B 50 23.636 -2.056 6.420 1.00 25.00 O ATOM 0 H GLY B 50 21.253 -5.037 4.855 1.00 25.00 H new ATOM 0 HA2 GLY B 50 23.074 -5.139 6.183 1.00 25.00 H new ATOM 0 HA3 GLY B 50 23.981 -4.160 5.048 1.00 25.00 H new ATOM 620 N GLU B 51 21.808 -3.114 7.300 1.00 25.00 N ATOM 621 CA GLU B 51 21.338 -2.014 8.138 1.00 25.00 C ATOM 622 C GLU B 51 20.828 -0.867 7.288 1.00 25.00 C ATOM 623 O GLU B 51 20.100 -1.060 6.307 1.00 25.00 O ATOM 624 CB GLU B 51 22.399 -1.589 9.166 1.00 25.00 C ATOM 625 CG GLU B 51 23.007 -2.793 9.890 1.00 25.00 C ATOM 626 CD GLU B 51 23.748 -2.432 11.125 1.00 25.00 C ATOM 627 OE1 GLU B 51 23.821 -1.324 11.528 1.00 25.00 O ATOM 628 OE2 GLU B 51 24.355 -3.409 11.713 1.00 25.00 O ATOM 0 H GLU B 51 21.241 -3.958 7.382 1.00 25.00 H new ATOM 0 HA GLU B 51 20.489 -2.366 8.724 1.00 25.00 H new ATOM 0 HB2 GLU B 51 23.189 -1.031 8.663 1.00 25.00 H new ATOM 0 HB3 GLU B 51 21.948 -0.916 9.896 1.00 25.00 H new ATOM 0 HG2 GLU B 51 22.211 -3.493 10.145 1.00 25.00 H new ATOM 0 HG3 GLU B 51 23.682 -3.312 9.210 1.00 25.00 H new ATOM 636 N GLN B 52 21.122 0.334 7.713 1.00 25.00 N ATOM 637 CA GLN B 52 20.692 1.541 6.961 1.00 25.00 C ATOM 638 C GLN B 52 19.145 1.673 6.883 1.00 25.00 C ATOM 639 O GLN B 52 18.617 2.430 6.098 1.00 25.00 O ATOM 640 CB GLN B 52 21.356 1.619 5.587 1.00 25.00 C ATOM 641 CG GLN B 52 22.893 1.500 5.634 1.00 25.00 C ATOM 642 CD GLN B 52 23.553 1.684 4.260 1.00 25.00 C ATOM 643 OE1 GLN B 52 23.409 0.910 3.355 1.00 25.00 O ATOM 644 NE2 GLN B 52 24.270 2.796 4.103 1.00 25.00 N ATOM 0 H GLN B 52 21.651 0.528 8.563 1.00 25.00 H new ATOM 0 HA GLN B 52 21.038 2.405 7.527 1.00 25.00 H new ATOM 0 HB2 GLN B 52 20.958 0.825 4.955 1.00 25.00 H new ATOM 0 HB3 GLN B 52 21.088 2.565 5.117 1.00 25.00 H new ATOM 0 HG2 GLN B 52 23.288 2.246 6.323 1.00 25.00 H new ATOM 0 HG3 GLN B 52 23.164 0.522 6.033 1.00 25.00 H new ATOM 0 HE21 GLN B 52 24.383 3.444 4.882 1.00 25.00 H new ATOM 0 HE22 GLN B 52 24.706 2.999 3.203 1.00 25.00 H new ATOM 653 N GLY B 53 18.467 0.952 7.752 1.00 25.00 N ATOM 654 CA GLY B 53 17.036 0.984 7.818 1.00 25.00 C ATOM 655 C GLY B 53 16.548 -0.053 8.748 1.00 25.00 C ATOM 656 O GLY B 53 17.349 -0.852 9.139 1.00 25.00 O ATOM 0 H GLY B 53 18.902 0.328 8.431 1.00 25.00 H new ATOM 0 HA2 GLY B 53 16.701 1.967 8.149 1.00 25.00 H new ATOM 0 HA3 GLY B 53 16.615 0.821 6.826 1.00 25.00 H new ATOM 660 N PHE B 54 15.288 0.025 9.139 1.00 25.00 N ATOM 661 CA PHE B 54 14.660 -0.922 10.056 1.00 25.00 C ATOM 662 C PHE B 54 15.304 -1.059 11.457 1.00 25.00 C ATOM 663 O PHE B 54 16.510 -1.317 11.594 1.00 25.00 O ATOM 664 CB PHE B 54 14.562 -2.247 9.353 1.00 25.00 C ATOM 665 CG PHE B 54 14.137 -2.143 7.970 1.00 25.00 C ATOM 666 CD1 PHE B 54 12.813 -1.782 7.679 1.00 25.00 C ATOM 667 CD2 PHE B 54 15.020 -2.387 6.903 1.00 25.00 C ATOM 668 CE1 PHE B 54 12.385 -1.650 6.352 1.00 25.00 C ATOM 669 CE2 PHE B 54 14.586 -2.224 5.567 1.00 25.00 C ATOM 670 CZ PHE B 54 13.269 -1.874 5.287 1.00 25.00 C ATOM 0 H PHE B 54 14.657 0.762 8.824 1.00 25.00 H new ATOM 0 HA PHE B 54 13.677 -0.517 10.296 1.00 25.00 H new ATOM 0 HB2 PHE B 54 15.533 -2.740 9.389 1.00 25.00 H new ATOM 0 HB3 PHE B 54 13.861 -2.884 9.893 1.00 25.00 H new ATOM 0 HD1 PHE B 54 12.117 -1.604 8.486 1.00 25.00 H new ATOM 0 HD2 PHE B 54 16.034 -2.700 7.105 1.00 25.00 H new ATOM 0 HE1 PHE B 54 11.362 -1.372 6.147 1.00 25.00 H new ATOM 0 HE2 PHE B 54 15.284 -2.373 4.756 1.00 25.00 H new ATOM 0 HZ PHE B 54 12.933 -1.776 4.265 1.00 25.00 H new ATOM 680 N PHE B 55 14.521 -0.809 12.490 1.00 25.00 N ATOM 681 CA PHE B 55 15.005 -0.904 13.877 1.00 25.00 C ATOM 682 C PHE B 55 15.291 -2.364 14.248 1.00 25.00 C ATOM 683 O PHE B 55 14.445 -3.238 14.049 1.00 25.00 O ATOM 684 CB PHE B 55 13.975 -0.260 14.811 1.00 25.00 C ATOM 685 CG PHE B 55 14.513 0.057 16.167 1.00 25.00 C ATOM 686 CD1 PHE B 55 15.138 1.297 16.397 1.00 25.00 C ATOM 687 CD2 PHE B 55 14.385 -0.848 17.216 1.00 25.00 C ATOM 688 CE1 PHE B 55 15.670 1.607 17.699 1.00 25.00 C ATOM 689 CE2 PHE B 55 14.925 -0.568 18.505 1.00 25.00 C ATOM 690 CZ PHE B 55 15.555 0.664 18.764 1.00 25.00 C ATOM 0 H PHE B 55 13.542 -0.537 12.406 1.00 25.00 H new ATOM 0 HA PHE B 55 15.946 -0.364 13.982 1.00 25.00 H new ATOM 0 HB2 PHE B 55 13.605 0.657 14.353 1.00 25.00 H new ATOM 0 HB3 PHE B 55 13.122 -0.931 14.915 1.00 25.00 H new ATOM 0 HD1 PHE B 55 15.219 2.017 15.596 1.00 25.00 H new ATOM 0 HD2 PHE B 55 13.866 -1.781 17.050 1.00 25.00 H new ATOM 0 HE1 PHE B 55 16.157 2.556 17.870 1.00 25.00 H new ATOM 0 HE2 PHE B 55 14.850 -1.307 19.289 1.00 25.00 H new ATOM 0 HZ PHE B 55 15.942 0.890 19.746 1.00 25.00 H new ATOM 700 N TYR B 56 16.460 -2.609 14.813 1.00 25.00 N ATOM 701 CA TYR B 56 16.849 -3.965 15.148 1.00 25.00 C ATOM 702 C TYR B 56 17.660 -3.944 16.497 1.00 25.00 C ATOM 703 O TYR B 56 18.636 -3.220 16.622 1.00 25.00 O ATOM 704 CB TYR B 56 17.729 -4.527 14.028 1.00 25.00 C ATOM 705 CG TYR B 56 18.330 -5.860 14.317 1.00 25.00 C ATOM 706 CD1 TYR B 56 17.506 -6.969 14.588 1.00 25.00 C ATOM 707 CD2 TYR B 56 19.706 -6.050 14.279 1.00 25.00 C ATOM 708 CE1 TYR B 56 18.067 -8.229 14.915 1.00 25.00 C ATOM 709 CE2 TYR B 56 20.289 -7.302 14.540 1.00 25.00 C ATOM 710 CZ TYR B 56 19.447 -8.380 14.859 1.00 25.00 C ATOM 711 OH TYR B 56 19.945 -9.627 15.133 1.00 25.00 O ATOM 0 H TYR B 56 17.149 -1.894 15.047 1.00 25.00 H new ATOM 0 HA TYR B 56 15.964 -4.591 15.262 1.00 25.00 H new ATOM 0 HB2 TYR B 56 17.132 -4.602 13.119 1.00 25.00 H new ATOM 0 HB3 TYR B 56 18.532 -3.818 13.825 1.00 25.00 H new ATOM 0 HD1 TYR B 56 16.433 -6.858 14.546 1.00 25.00 H new ATOM 0 HD2 TYR B 56 20.345 -5.212 14.042 1.00 25.00 H new ATOM 0 HE1 TYR B 56 17.434 -9.056 15.202 1.00 25.00 H new ATOM 0 HE2 TYR B 56 21.360 -7.432 14.496 1.00 25.00 H new ATOM 0 HH TYR B 56 20.922 -9.612 15.062 1.00 25.00 H new ATOM 721 N THR B 57 17.232 -4.756 17.483 1.00 25.00 N ATOM 722 CA THR B 57 17.835 -4.762 18.777 1.00 25.00 C ATOM 723 C THR B 57 17.902 -6.199 19.319 1.00 25.00 C ATOM 724 O THR B 57 16.978 -6.694 20.000 1.00 25.00 O ATOM 725 CB THR B 57 17.094 -3.804 19.763 1.00 25.00 C ATOM 726 OG1 THR B 57 17.431 -4.107 21.104 1.00 25.00 O ATOM 727 CG2 THR B 57 15.574 -3.926 19.645 1.00 25.00 C ATOM 0 H THR B 57 16.460 -5.414 17.379 1.00 25.00 H new ATOM 0 HA THR B 57 18.853 -4.384 18.685 1.00 25.00 H new ATOM 0 HB THR B 57 17.407 -2.794 19.497 1.00 25.00 H new ATOM 0 HG1 THR B 57 16.958 -3.495 21.706 1.00 25.00 H new ATOM 0 HG21 THR B 57 15.098 -3.242 20.348 1.00 25.00 H new ATOM 0 HG22 THR B 57 15.266 -3.674 18.630 1.00 25.00 H new ATOM 0 HG23 THR B 57 15.272 -4.948 19.872 1.00 25.00 H new ATOM 735 N PRO B 58 18.972 -6.940 18.943 1.00 25.00 N ATOM 736 CA PRO B 58 19.140 -8.297 19.529 1.00 25.00 C ATOM 737 C PRO B 58 19.417 -8.213 20.980 1.00 25.00 C ATOM 738 O PRO B 58 20.067 -7.300 21.451 1.00 25.00 O ATOM 739 CB PRO B 58 20.347 -8.860 18.788 1.00 25.00 C ATOM 740 CG PRO B 58 21.122 -7.640 18.391 1.00 25.00 C ATOM 741 CD PRO B 58 20.134 -6.565 18.115 1.00 25.00 C ATOM 0 HA PRO B 58 18.248 -8.915 19.425 1.00 25.00 H new ATOM 0 HB2 PRO B 58 20.937 -9.519 19.426 1.00 25.00 H new ATOM 0 HB3 PRO B 58 20.046 -9.444 17.918 1.00 25.00 H new ATOM 0 HG2 PRO B 58 21.804 -7.341 19.187 1.00 25.00 H new ATOM 0 HG3 PRO B 58 21.730 -7.840 17.509 1.00 25.00 H new ATOM 0 HD2 PRO B 58 20.522 -5.584 18.389 1.00 25.00 H new ATOM 0 HD3 PRO B 58 19.875 -6.521 17.057 1.00 25.00 H new ATOM 749 N LYS B 59 18.917 -9.207 21.718 1.00 25.00 N ATOM 750 CA LYS B 59 19.098 -9.291 23.208 1.00 25.00 C ATOM 751 C LYS B 59 19.226 -10.736 23.770 1.00 25.00 C ATOM 752 O LYS B 59 19.109 -10.961 24.982 1.00 25.00 O ATOM 753 CB LYS B 59 17.920 -8.652 23.895 1.00 25.00 C ATOM 754 CG LYS B 59 16.575 -9.349 23.713 1.00 25.00 C ATOM 755 CD LYS B 59 15.461 -8.595 24.464 1.00 25.00 C ATOM 756 CE LYS B 59 14.084 -9.163 24.244 1.00 25.00 C ATOM 757 NZ LYS B 59 14.034 -10.605 24.714 1.00 25.00 N ATOM 0 H LYS B 59 18.378 -9.979 21.325 1.00 25.00 H new ATOM 0 HA LYS B 59 20.038 -8.777 23.407 1.00 25.00 H new ATOM 0 HB2 LYS B 59 18.135 -8.595 24.962 1.00 25.00 H new ATOM 0 HB3 LYS B 59 17.827 -7.628 23.534 1.00 25.00 H new ATOM 0 HG2 LYS B 59 16.330 -9.406 22.652 1.00 25.00 H new ATOM 0 HG3 LYS B 59 16.639 -10.373 24.081 1.00 25.00 H new ATOM 0 HD2 LYS B 59 15.683 -8.608 25.531 1.00 25.00 H new ATOM 0 HD3 LYS B 59 15.467 -7.551 24.150 1.00 25.00 H new ATOM 0 HE2 LYS B 59 13.347 -8.570 24.785 1.00 25.00 H new ATOM 0 HE3 LYS B 59 13.824 -9.108 23.187 1.00 25.00 H new ATOM 0 HZ1 LYS B 59 13.054 -10.951 24.669 1.00 25.00 H new ATOM 0 HZ2 LYS B 59 14.637 -11.191 24.101 1.00 25.00 H new ATOM 0 HZ3 LYS B 59 14.377 -10.663 25.694 1.00 25.00 H new ATOM 771 N THR B 60 19.443 -11.713 22.891 1.00 25.00 N ATOM 772 CA THR B 60 19.551 -13.130 23.381 1.00 25.00 C ATOM 773 C THR B 60 20.995 -13.393 23.895 1.00 25.00 C ATOM 774 O THR B 60 21.288 -13.518 25.055 1.00 25.00 O ATOM 775 CB THR B 60 19.135 -14.201 22.338 1.00 25.00 C ATOM 776 OG1 THR B 60 17.883 -13.849 21.742 1.00 25.00 O ATOM 777 CG2 THR B 60 18.992 -15.573 22.940 1.00 25.00 C ATOM 778 OXT THR B 60 21.909 -13.467 22.962 1.00 25.00 O ATOM 0 H THR B 60 19.546 -11.586 21.884 1.00 25.00 H new ATOM 0 HA THR B 60 18.833 -13.232 24.195 1.00 25.00 H new ATOM 0 HB THR B 60 19.931 -14.229 21.594 1.00 25.00 H new ATOM 0 HG1 THR B 60 17.631 -14.530 21.084 1.00 25.00 H new ATOM 0 HG21 THR B 60 18.700 -16.282 22.165 1.00 25.00 H new ATOM 0 HG22 THR B 60 19.944 -15.881 23.373 1.00 25.00 H new ATOM 0 HG23 THR B 60 18.229 -15.551 23.718 1.00 25.00 H new TER 787 THR B 60