USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 389 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: B 27 THR OG1 : rot 31:sc= 0.191 USER MOD Set 1.2: B 29 LYS NZ :NH3+ -149:sc= 0.7 (180deg=0.0926) USER MOD Set 2.1: B 4 GLN : amide:sc= 0.236 K(o=0.49,f=-0.63) USER MOD Set 2.2: B 10 HIS : no HE2:sc= 0.25 K(o=0.49,f=-2.3) USER MOD Single : A 1 GLY N :NH3+ -158:sc= 0.402 (180deg=0.176) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.4) 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 12 SER OG : rot -170:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 18 ASN : amide:sc= 0.531 K(o=0.53,f=0) USER MOD Single : A 19 TYR OH : rot 3:sc= -0.125 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : B 1 PHE N :NH3+ -114:sc= 0.0851 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 5 HIS : no HD1:sc= -2.15 K(o=-2.1,f=-6.3!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.146 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 30 THR OG1 : rot 52:sc= 0.162 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.491 -0.269 -0.466 1.00 25.00 N ATOM 2 CA GLY A 1 1.782 1.040 -1.098 1.00 25.00 C ATOM 3 C GLY A 1 1.397 1.047 -2.553 1.00 25.00 C ATOM 4 O GLY A 1 1.516 0.027 -3.216 1.00 25.00 O ATOM 0 H1 GLY A 1 1.407 -0.146 0.563 1.00 25.00 H new ATOM 0 H2 GLY A 1 0.599 -0.646 -0.844 1.00 25.00 H new ATOM 0 H3 GLY A 1 2.263 -0.934 -0.673 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.240 1.827 -0.573 1.00 25.00 H new ATOM 0 HA3 GLY A 1 2.844 1.264 -1.000 1.00 25.00 H new ATOM 10 N ILE A 2 0.899 2.173 -3.046 1.00 25.00 N ATOM 11 CA ILE A 2 0.367 2.247 -4.408 1.00 25.00 C ATOM 12 C ILE A 2 1.436 2.117 -5.507 1.00 25.00 C ATOM 13 O ILE A 2 1.165 1.576 -6.568 1.00 25.00 O ATOM 14 CB ILE A 2 -0.475 3.555 -4.575 1.00 25.00 C ATOM 15 CG1 ILE A 2 -1.366 3.445 -5.823 1.00 25.00 C ATOM 16 CG2 ILE A 2 0.432 4.822 -4.589 1.00 25.00 C ATOM 17 CD1 ILE A 2 -2.395 4.566 -5.964 1.00 25.00 C ATOM 0 H ILE A 2 0.850 3.050 -2.527 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.277 1.378 -4.543 1.00 25.00 H new ATOM 0 HB ILE A 2 -1.129 3.669 -3.711 1.00 25.00 H new ATOM 0 HG12 ILE A 2 -0.731 3.438 -6.709 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -1.889 2.489 -5.798 1.00 25.00 H new ATOM 0 HG21 ILE A 2 -0.187 5.711 -4.707 1.00 25.00 H new ATOM 0 HG22 ILE A 2 0.983 4.885 -3.651 1.00 25.00 H new ATOM 0 HG23 ILE A 2 1.135 4.757 -5.419 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -2.980 4.411 -6.870 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -3.058 4.562 -5.099 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -1.882 5.526 -6.024 1.00 25.00 H new ATOM 29 N VAL A 3 2.661 2.564 -5.257 1.00 25.00 N ATOM 30 CA VAL A 3 3.683 2.515 -6.307 1.00 25.00 C ATOM 31 C VAL A 3 4.029 1.085 -6.684 1.00 25.00 C ATOM 32 O VAL A 3 4.017 0.738 -7.854 1.00 25.00 O ATOM 33 CB VAL A 3 4.980 3.266 -5.910 1.00 25.00 C ATOM 34 CG1 VAL A 3 5.984 3.253 -7.086 1.00 25.00 C ATOM 35 CG2 VAL A 3 4.654 4.721 -5.516 1.00 25.00 C ATOM 0 H VAL A 3 2.970 2.954 -4.366 1.00 25.00 H new ATOM 0 HA VAL A 3 3.246 3.019 -7.169 1.00 25.00 H new ATOM 0 HB VAL A 3 5.428 2.760 -5.055 1.00 25.00 H new ATOM 0 HG11 VAL A 3 6.891 3.783 -6.796 1.00 25.00 H new ATOM 0 HG12 VAL A 3 6.232 2.223 -7.341 1.00 25.00 H new ATOM 0 HG13 VAL A 3 5.538 3.744 -7.951 1.00 25.00 H new ATOM 0 HG21 VAL A 3 5.573 5.238 -5.239 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.191 5.232 -6.360 1.00 25.00 H new ATOM 0 HG23 VAL A 3 3.967 4.724 -4.669 1.00 25.00 H new ATOM 45 N GLU A 4 4.310 0.238 -5.706 1.00 25.00 N ATOM 46 CA GLU A 4 4.668 -1.142 -6.015 1.00 25.00 C ATOM 47 C GLU A 4 3.438 -1.893 -6.519 1.00 25.00 C ATOM 48 O GLU A 4 3.553 -2.792 -7.337 1.00 25.00 O ATOM 49 CB GLU A 4 5.343 -1.854 -4.824 1.00 25.00 C ATOM 50 CG GLU A 4 4.454 -2.220 -3.620 1.00 25.00 C ATOM 51 CD GLU A 4 4.338 -1.110 -2.609 1.00 25.00 C ATOM 52 OE1 GLU A 4 4.428 0.069 -2.872 1.00 25.00 O ATOM 53 OE2 GLU A 4 4.082 -1.537 -1.412 1.00 25.00 O ATOM 0 H GLU A 4 4.299 0.471 -4.713 1.00 25.00 H new ATOM 0 HA GLU A 4 5.414 -1.133 -6.810 1.00 25.00 H new ATOM 0 HB2 GLU A 4 5.801 -2.771 -5.195 1.00 25.00 H new ATOM 0 HB3 GLU A 4 6.151 -1.217 -4.465 1.00 25.00 H new ATOM 0 HG2 GLU A 4 3.458 -2.482 -3.978 1.00 25.00 H new ATOM 0 HG3 GLU A 4 4.861 -3.106 -3.132 1.00 25.00 H new ATOM 61 N GLN A 5 2.260 -1.475 -6.070 1.00 25.00 N ATOM 62 CA GLN A 5 1.002 -2.072 -6.514 1.00 25.00 C ATOM 63 C GLN A 5 0.824 -1.878 -8.020 1.00 25.00 C ATOM 64 O GLN A 5 0.465 -2.811 -8.729 1.00 25.00 O ATOM 65 CB GLN A 5 -0.152 -1.415 -5.751 1.00 25.00 C ATOM 66 CG GLN A 5 -1.521 -2.019 -5.967 1.00 25.00 C ATOM 67 CD GLN A 5 -2.577 -1.258 -5.186 1.00 25.00 C ATOM 68 OE1 GLN A 5 -2.366 -0.898 -4.035 1.00 25.00 O ATOM 69 NE2 GLN A 5 -3.688 -0.980 -5.813 1.00 25.00 N ATOM 0 H GLN A 5 2.148 -0.720 -5.394 1.00 25.00 H new ATOM 0 HA GLN A 5 1.012 -3.143 -6.311 1.00 25.00 H new ATOM 0 HB2 GLN A 5 0.075 -1.453 -4.686 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -0.193 -0.362 -6.031 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -1.766 -2.004 -7.029 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -1.515 -3.064 -5.656 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -3.826 -1.298 -6.772 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -4.418 -0.445 -5.344 1.00 25.00 H new ATOM 78 N CYS A 6 1.106 -0.682 -8.513 1.00 25.00 N ATOM 79 CA CYS A 6 0.974 -0.405 -9.945 1.00 25.00 C ATOM 80 C CYS A 6 2.200 -0.848 -10.727 1.00 25.00 C ATOM 81 O CYS A 6 2.145 -1.023 -11.938 1.00 25.00 O ATOM 82 CB CYS A 6 0.712 1.083 -10.171 1.00 25.00 C ATOM 83 SG CYS A 6 -0.816 1.668 -9.359 1.00 25.00 S ATOM 0 H CYS A 6 1.425 0.109 -7.954 1.00 25.00 H new ATOM 0 HA CYS A 6 0.126 -0.982 -10.314 1.00 25.00 H new ATOM 0 HB2 CYS A 6 1.559 1.657 -9.796 1.00 25.00 H new ATOM 0 HB3 CYS A 6 0.645 1.276 -11.242 1.00 25.00 H new ATOM 88 N CYS A 7 3.303 -1.060 -10.031 1.00 25.00 N ATOM 89 CA CYS A 7 4.510 -1.549 -10.674 1.00 25.00 C ATOM 90 C CYS A 7 4.348 -3.033 -11.015 1.00 25.00 C ATOM 91 O CYS A 7 4.707 -3.469 -12.102 1.00 25.00 O ATOM 92 CB CYS A 7 5.715 -1.355 -9.745 1.00 25.00 C ATOM 93 SG CYS A 7 7.336 -1.672 -10.517 1.00 25.00 S ATOM 0 H CYS A 7 3.388 -0.902 -9.027 1.00 25.00 H new ATOM 0 HA CYS A 7 4.678 -0.986 -11.592 1.00 25.00 H new ATOM 0 HB2 CYS A 7 5.703 -0.333 -9.366 1.00 25.00 H new ATOM 0 HB3 CYS A 7 5.603 -2.015 -8.885 1.00 25.00 H new ATOM 98 N THR A 8 3.815 -3.807 -10.075 1.00 25.00 N ATOM 99 CA THR A 8 3.651 -5.252 -10.273 1.00 25.00 C ATOM 100 C THR A 8 2.320 -5.622 -10.942 1.00 25.00 C ATOM 101 O THR A 8 2.234 -6.640 -11.628 1.00 25.00 O ATOM 102 CB THR A 8 3.821 -6.025 -8.925 1.00 25.00 C ATOM 103 OG1 THR A 8 4.049 -7.411 -9.190 1.00 25.00 O ATOM 104 CG2 THR A 8 2.596 -5.917 -8.031 1.00 25.00 C ATOM 0 H THR A 8 3.489 -3.465 -9.171 1.00 25.00 H new ATOM 0 HA THR A 8 4.441 -5.556 -10.959 1.00 25.00 H new ATOM 0 HB THR A 8 4.668 -5.572 -8.409 1.00 25.00 H new ATOM 0 HG1 THR A 8 4.157 -7.893 -8.343 1.00 25.00 H new ATOM 0 HG21 THR A 8 2.769 -6.472 -7.109 1.00 25.00 H new ATOM 0 HG22 THR A 8 2.409 -4.869 -7.795 1.00 25.00 H new ATOM 0 HG23 THR A 8 1.731 -6.332 -8.548 1.00 25.00 H new ATOM 112 N SER A 9 1.295 -4.792 -10.780 1.00 25.00 N ATOM 113 CA SER A 9 -0.021 -5.076 -11.355 1.00 25.00 C ATOM 114 C SER A 9 -0.503 -3.912 -12.206 1.00 25.00 C ATOM 115 O SER A 9 0.200 -2.951 -12.384 1.00 25.00 O ATOM 116 CB SER A 9 -1.032 -5.403 -10.254 1.00 25.00 C ATOM 117 OG SER A 9 -0.625 -6.553 -9.537 1.00 25.00 O ATOM 0 H SER A 9 1.347 -3.918 -10.257 1.00 25.00 H new ATOM 0 HA SER A 9 0.071 -5.949 -12.002 1.00 25.00 H new ATOM 0 HB2 SER A 9 -1.125 -4.556 -9.574 1.00 25.00 H new ATOM 0 HB3 SER A 9 -2.016 -5.569 -10.693 1.00 25.00 H new ATOM 0 HG SER A 9 -1.280 -6.750 -8.835 1.00 25.00 H new ATOM 123 N ILE A 10 -1.605 -4.103 -12.914 1.00 25.00 N ATOM 124 CA ILE A 10 -1.968 -3.200 -14.013 1.00 25.00 C ATOM 125 C ILE A 10 -2.354 -1.780 -13.585 1.00 25.00 C ATOM 126 O ILE A 10 -1.939 -0.834 -14.227 1.00 25.00 O ATOM 127 CB ILE A 10 -3.124 -3.827 -14.866 1.00 25.00 C ATOM 128 CG1 ILE A 10 -2.664 -5.166 -15.495 1.00 25.00 C ATOM 129 CG2 ILE A 10 -3.626 -2.845 -15.953 1.00 25.00 C ATOM 130 CD1 ILE A 10 -1.582 -5.050 -16.574 1.00 25.00 C ATOM 0 H ILE A 10 -2.263 -4.866 -12.755 1.00 25.00 H new ATOM 0 HA ILE A 10 -1.059 -3.092 -14.605 1.00 25.00 H new ATOM 0 HB ILE A 10 -3.963 -4.028 -14.200 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -2.292 -5.812 -14.700 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -3.533 -5.662 -15.928 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -4.427 -3.314 -16.525 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -4.001 -1.938 -15.479 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -2.804 -2.591 -16.622 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -1.333 -6.043 -16.948 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -1.951 -4.436 -17.395 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -0.691 -4.589 -16.148 1.00 25.00 H new ATOM 142 N CYS A 11 -3.150 -1.645 -12.527 1.00 25.00 N ATOM 143 CA CYS A 11 -3.698 -0.340 -12.099 1.00 25.00 C ATOM 144 C CYS A 11 -4.465 0.379 -13.217 1.00 25.00 C ATOM 145 O CYS A 11 -3.922 1.189 -13.961 1.00 25.00 O ATOM 146 CB CYS A 11 -2.614 0.588 -11.541 1.00 25.00 C ATOM 147 SG CYS A 11 -2.203 0.250 -9.802 1.00 25.00 S ATOM 0 H CYS A 11 -3.438 -2.427 -11.938 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.403 -0.574 -11.302 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -1.713 0.488 -12.146 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -2.947 1.622 -11.634 1.00 25.00 H new ATOM 152 N SER A 12 -5.758 0.107 -13.289 1.00 25.00 N ATOM 153 CA SER A 12 -6.634 0.788 -14.236 1.00 25.00 C ATOM 154 C SER A 12 -6.703 2.271 -13.868 1.00 25.00 C ATOM 155 O SER A 12 -6.285 2.666 -12.782 1.00 25.00 O ATOM 156 CB SER A 12 -8.027 0.163 -14.177 1.00 25.00 C ATOM 157 OG SER A 12 -8.521 0.194 -12.847 1.00 25.00 O ATOM 0 H SER A 12 -6.228 -0.582 -12.702 1.00 25.00 H new ATOM 0 HA SER A 12 -6.245 0.686 -15.249 1.00 25.00 H new ATOM 0 HB2 SER A 12 -8.705 0.704 -14.837 1.00 25.00 H new ATOM 0 HB3 SER A 12 -7.988 -0.866 -14.534 1.00 25.00 H new ATOM 0 HG SER A 12 -9.337 -0.345 -12.789 1.00 25.00 H new ATOM 163 N LEU A 13 -7.257 3.087 -14.756 1.00 25.00 N ATOM 164 CA LEU A 13 -7.331 4.536 -14.541 1.00 25.00 C ATOM 165 C LEU A 13 -7.980 4.936 -13.209 1.00 25.00 C ATOM 166 O LEU A 13 -7.644 5.960 -12.644 1.00 25.00 O ATOM 167 CB LEU A 13 -8.056 5.204 -15.718 1.00 25.00 C ATOM 168 CG LEU A 13 -9.554 4.894 -15.892 1.00 25.00 C ATOM 169 CD1 LEU A 13 -10.418 6.007 -15.299 1.00 25.00 C ATOM 170 CD2 LEU A 13 -9.879 4.723 -17.373 1.00 25.00 C ATOM 0 H LEU A 13 -7.665 2.773 -15.637 1.00 25.00 H new ATOM 0 HA LEU A 13 -6.302 4.892 -14.486 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -7.945 6.283 -15.614 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -7.543 4.918 -16.636 1.00 25.00 H new ATOM 0 HG LEU A 13 -9.775 3.968 -15.360 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -11.471 5.762 -15.436 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -10.204 6.106 -14.235 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -10.196 6.948 -15.803 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -10.940 4.504 -17.490 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -9.637 5.642 -17.907 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -9.292 3.901 -17.782 1.00 25.00 H new ATOM 182 N TYR A 14 -8.871 4.106 -12.691 1.00 25.00 N ATOM 183 CA TYR A 14 -9.531 4.388 -11.418 1.00 25.00 C ATOM 184 C TYR A 14 -8.548 4.330 -10.250 1.00 25.00 C ATOM 185 O TYR A 14 -8.624 5.115 -9.320 1.00 25.00 O ATOM 186 CB TYR A 14 -10.644 3.370 -11.197 1.00 25.00 C ATOM 187 CG TYR A 14 -11.525 3.207 -12.412 1.00 25.00 C ATOM 188 CD1 TYR A 14 -12.453 4.204 -12.774 1.00 25.00 C ATOM 189 CD2 TYR A 14 -11.427 2.053 -13.218 1.00 25.00 C ATOM 190 CE1 TYR A 14 -13.265 4.056 -13.932 1.00 25.00 C ATOM 191 CE2 TYR A 14 -12.237 1.903 -14.377 1.00 25.00 C ATOM 192 CZ TYR A 14 -13.144 2.912 -14.724 1.00 25.00 C ATOM 193 OH TYR A 14 -13.923 2.784 -15.845 1.00 25.00 O ATOM 0 H TYR A 14 -9.157 3.230 -13.129 1.00 25.00 H new ATOM 0 HA TYR A 14 -9.941 5.397 -11.461 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -10.205 2.406 -10.938 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -11.254 3.681 -10.349 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.549 5.091 -12.165 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -10.728 1.274 -12.951 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.974 4.826 -14.198 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -12.153 1.015 -14.987 1.00 25.00 H new ATOM 0 HH TYR A 14 -13.720 1.934 -16.289 1.00 25.00 H new ATOM 203 N GLN A 15 -7.600 3.410 -10.332 1.00 25.00 N ATOM 204 CA GLN A 15 -6.553 3.278 -9.321 1.00 25.00 C ATOM 205 C GLN A 15 -5.564 4.424 -9.489 1.00 25.00 C ATOM 206 O GLN A 15 -5.091 5.001 -8.518 1.00 25.00 O ATOM 207 CB GLN A 15 -5.822 1.943 -9.503 1.00 25.00 C ATOM 208 CG GLN A 15 -6.712 0.710 -9.314 1.00 25.00 C ATOM 209 CD GLN A 15 -7.123 0.512 -7.868 1.00 25.00 C ATOM 210 OE1 GLN A 15 -6.288 0.505 -6.979 1.00 25.00 O ATOM 211 NE2 GLN A 15 -8.395 0.330 -7.632 1.00 25.00 N ATOM 0 H GLN A 15 -7.531 2.736 -11.094 1.00 25.00 H new ATOM 0 HA GLN A 15 -6.996 3.308 -8.326 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -5.386 1.913 -10.502 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -4.996 1.894 -8.793 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -7.604 0.811 -9.932 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -6.181 -0.176 -9.663 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -9.064 0.343 -8.402 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -8.720 0.175 -6.677 1.00 25.00 H new ATOM 220 N LEU A 16 -5.284 4.764 -10.736 1.00 25.00 N ATOM 221 CA LEU A 16 -4.364 5.850 -11.064 1.00 25.00 C ATOM 222 C LEU A 16 -4.865 7.211 -10.566 1.00 25.00 C ATOM 223 O LEU A 16 -4.066 8.057 -10.202 1.00 25.00 O ATOM 224 CB LEU A 16 -4.079 5.876 -12.568 1.00 25.00 C ATOM 225 CG LEU A 16 -3.291 4.657 -13.094 1.00 25.00 C ATOM 226 CD1 LEU A 16 -3.189 4.706 -14.614 1.00 25.00 C ATOM 227 CD2 LEU A 16 -1.878 4.588 -12.499 1.00 25.00 C ATOM 0 H LEU A 16 -5.685 4.299 -11.550 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.429 5.655 -10.539 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -5.027 5.938 -13.103 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -3.521 6.782 -12.803 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.838 3.766 -12.786 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.631 3.840 -14.969 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.190 4.695 -15.046 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -2.674 5.618 -14.915 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.358 3.716 -12.896 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -1.327 5.490 -12.764 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -1.944 4.509 -11.414 1.00 25.00 H new ATOM 239 N GLU A 17 -6.178 7.412 -10.533 1.00 25.00 N ATOM 240 CA GLU A 17 -6.766 8.661 -10.015 1.00 25.00 C ATOM 241 C GLU A 17 -6.286 9.015 -8.599 1.00 25.00 C ATOM 242 O GLU A 17 -6.256 10.179 -8.235 1.00 25.00 O ATOM 243 CB GLU A 17 -8.297 8.552 -9.975 1.00 25.00 C ATOM 244 CG GLU A 17 -8.985 8.685 -11.324 1.00 25.00 C ATOM 245 CD GLU A 17 -9.344 10.107 -11.646 1.00 25.00 C ATOM 246 OE1 GLU A 17 -8.540 10.977 -11.812 1.00 25.00 O ATOM 247 OE2 GLU A 17 -10.620 10.315 -11.718 1.00 25.00 O ATOM 0 H GLU A 17 -6.864 6.730 -10.857 1.00 25.00 H new ATOM 0 HA GLU A 17 -6.439 9.447 -10.696 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -8.567 7.590 -9.540 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -8.684 9.323 -9.309 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -8.331 8.293 -12.103 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -9.888 8.075 -11.330 1.00 25.00 H new ATOM 255 N ASN A 18 -5.882 8.022 -7.821 1.00 25.00 N ATOM 256 CA ASN A 18 -5.377 8.256 -6.461 1.00 25.00 C ATOM 257 C ASN A 18 -4.083 9.089 -6.443 1.00 25.00 C ATOM 258 O ASN A 18 -3.778 9.736 -5.454 1.00 25.00 O ATOM 259 CB ASN A 18 -5.155 6.926 -5.741 1.00 25.00 C ATOM 260 CG ASN A 18 -6.446 6.249 -5.370 1.00 25.00 C ATOM 261 OD1 ASN A 18 -7.120 6.646 -4.440 1.00 25.00 O ATOM 262 ND2 ASN A 18 -6.791 5.218 -6.087 1.00 25.00 N ATOM 0 H ASN A 18 -5.891 7.041 -8.102 1.00 25.00 H new ATOM 0 HA ASN A 18 -6.138 8.834 -5.937 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.572 6.263 -6.380 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -4.567 7.098 -4.840 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.653 4.715 -5.875 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -6.200 4.914 -6.860 1.00 25.00 H new ATOM 269 N TYR A 19 -3.304 9.027 -7.515 1.00 25.00 N ATOM 270 CA TYR A 19 -2.053 9.793 -7.623 1.00 25.00 C ATOM 271 C TYR A 19 -2.302 11.266 -7.984 1.00 25.00 C ATOM 272 O TYR A 19 -1.369 12.071 -8.022 1.00 25.00 O ATOM 273 CB TYR A 19 -1.210 9.236 -8.760 1.00 25.00 C ATOM 274 CG TYR A 19 -0.557 7.904 -8.521 1.00 25.00 C ATOM 275 CD1 TYR A 19 -1.206 6.703 -8.865 1.00 25.00 C ATOM 276 CD2 TYR A 19 0.747 7.835 -7.998 1.00 25.00 C ATOM 277 CE1 TYR A 19 -0.558 5.459 -8.707 1.00 25.00 C ATOM 278 CE2 TYR A 19 1.395 6.595 -7.833 1.00 25.00 C ATOM 279 CZ TYR A 19 0.738 5.418 -8.203 1.00 25.00 C ATOM 280 OH TYR A 19 1.370 4.214 -8.076 1.00 25.00 O ATOM 0 H TYR A 19 -3.512 8.452 -8.331 1.00 25.00 H new ATOM 0 HA TYR A 19 -1.563 9.717 -6.652 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.842 9.152 -9.644 1.00 25.00 H new ATOM 0 HB3 TYR A 19 -0.430 9.961 -8.993 1.00 25.00 H new ATOM 0 HD1 TYR A 19 -2.213 6.734 -9.255 1.00 25.00 H new ATOM 0 HD2 TYR A 19 1.258 8.745 -7.719 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -1.065 4.544 -8.976 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.393 6.554 -7.423 1.00 25.00 H new ATOM 0 HH TYR A 19 0.790 3.502 -8.420 1.00 25.00 H new ATOM 290 N CYS A 20 -3.525 11.580 -8.391 1.00 25.00 N ATOM 291 CA CYS A 20 -3.822 12.892 -8.962 1.00 25.00 C ATOM 292 C CYS A 20 -3.746 14.002 -7.917 1.00 25.00 C ATOM 293 O CYS A 20 -4.029 13.798 -6.742 1.00 25.00 O ATOM 294 CB CYS A 20 -5.204 12.875 -9.618 1.00 25.00 C ATOM 295 SG CYS A 20 -5.300 13.867 -11.143 1.00 25.00 S ATOM 0 H CYS A 20 -4.325 10.950 -8.338 1.00 25.00 H new ATOM 0 HA CYS A 20 -3.064 13.104 -9.716 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -5.475 11.845 -9.847 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -5.940 13.247 -8.905 1.00 25.00 H new ATOM 300 N ASN A 21 -3.344 15.200 -8.359 1.00 25.00 N ATOM 301 CA ASN A 21 -3.180 16.349 -7.452 1.00 25.00 C ATOM 302 C ASN A 21 -4.490 16.800 -6.802 1.00 25.00 C ATOM 303 O ASN A 21 -4.577 17.250 -5.685 1.00 25.00 O ATOM 304 CB ASN A 21 -2.507 17.538 -8.163 1.00 25.00 C ATOM 305 CG ASN A 21 -2.025 18.527 -7.144 1.00 25.00 C ATOM 306 OD1 ASN A 21 -1.268 18.244 -6.252 1.00 25.00 O ATOM 307 ND2 ASN A 21 -2.462 19.769 -7.286 1.00 25.00 N ATOM 308 OXT ASN A 21 -5.535 16.723 -7.568 1.00 25.00 O ATOM 0 H ASN A 21 -3.126 15.401 -9.335 1.00 25.00 H new ATOM 0 HA ASN A 21 -2.529 15.997 -6.651 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -1.671 17.187 -8.768 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -3.213 18.016 -8.842 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -2.157 20.494 -6.637 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -3.103 20.000 -8.045 1.00 25.00 H new TER 316 ASN A 21 ATOM 317 N PHE B 1 -7.867 2.941 -23.213 1.00 25.00 N ATOM 318 CA PHE B 1 -6.738 2.604 -22.300 1.00 25.00 C ATOM 319 C PHE B 1 -6.107 1.294 -22.727 1.00 25.00 C ATOM 320 O PHE B 1 -6.794 0.463 -23.294 1.00 25.00 O ATOM 321 CB PHE B 1 -7.260 2.491 -20.859 1.00 25.00 C ATOM 322 CG PHE B 1 -6.179 2.570 -19.810 1.00 25.00 C ATOM 323 CD1 PHE B 1 -5.722 3.824 -19.353 1.00 25.00 C ATOM 324 CD2 PHE B 1 -5.620 1.398 -19.261 1.00 25.00 C ATOM 325 CE1 PHE B 1 -4.708 3.910 -18.365 1.00 25.00 C ATOM 326 CE2 PHE B 1 -4.605 1.473 -18.271 1.00 25.00 C ATOM 327 CZ PHE B 1 -4.146 2.734 -17.831 1.00 25.00 C ATOM 0 H1 PHE B 1 -7.633 3.799 -23.752 1.00 25.00 H new ATOM 0 H2 PHE B 1 -8.029 2.152 -23.871 1.00 25.00 H new ATOM 0 H3 PHE B 1 -8.728 3.107 -22.654 1.00 25.00 H new ATOM 0 HA PHE B 1 -5.985 3.391 -22.348 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -7.984 3.287 -20.682 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -7.792 1.546 -20.749 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -6.149 4.729 -19.760 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -5.968 0.432 -19.597 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -4.367 4.876 -18.023 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.185 0.569 -17.856 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.366 2.796 -17.087 1.00 25.00 H new ATOM 339 N VAL B 2 -4.816 1.110 -22.480 1.00 25.00 N ATOM 340 CA VAL B 2 -4.126 -0.133 -22.840 1.00 25.00 C ATOM 341 C VAL B 2 -3.518 -0.676 -21.560 1.00 25.00 C ATOM 342 O VAL B 2 -2.776 0.036 -20.884 1.00 25.00 O ATOM 343 CB VAL B 2 -3.001 0.111 -23.895 1.00 25.00 C ATOM 344 CG1 VAL B 2 -2.277 -1.202 -24.239 1.00 25.00 C ATOM 345 CG2 VAL B 2 -3.593 0.727 -25.174 1.00 25.00 C ATOM 0 H VAL B 2 -4.220 1.805 -22.031 1.00 25.00 H new ATOM 0 HA VAL B 2 -4.831 -0.833 -23.288 1.00 25.00 H new ATOM 0 HB VAL B 2 -2.279 0.804 -23.463 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -1.498 -1.006 -24.976 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -1.827 -1.617 -23.337 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -2.992 -1.915 -24.648 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -2.797 0.892 -25.901 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -4.334 0.048 -25.595 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -4.067 1.678 -24.934 1.00 25.00 H new ATOM 355 N ASN B 3 -3.869 -1.901 -21.196 1.00 25.00 N ATOM 356 CA ASN B 3 -3.380 -2.479 -19.948 1.00 25.00 C ATOM 357 C ASN B 3 -1.898 -2.740 -20.015 1.00 25.00 C ATOM 358 O ASN B 3 -1.417 -3.429 -20.906 1.00 25.00 O ATOM 359 CB ASN B 3 -4.051 -3.810 -19.637 1.00 25.00 C ATOM 360 CG ASN B 3 -5.501 -3.654 -19.259 1.00 25.00 C ATOM 361 OD1 ASN B 3 -5.905 -2.637 -18.719 1.00 25.00 O ATOM 362 ND2 ASN B 3 -6.291 -4.651 -19.547 1.00 25.00 N ATOM 0 H ASN B 3 -4.483 -2.509 -21.738 1.00 25.00 H new ATOM 0 HA ASN B 3 -3.613 -1.751 -19.171 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -3.974 -4.463 -20.506 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -3.518 -4.300 -18.822 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -7.284 -4.597 -19.320 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -5.916 -5.485 -19.999 1.00 25.00 H new ATOM 369 N GLN B 4 -1.187 -2.208 -19.040 1.00 25.00 N ATOM 370 CA GLN B 4 0.236 -2.426 -18.905 1.00 25.00 C ATOM 371 C GLN B 4 0.537 -2.098 -17.461 1.00 25.00 C ATOM 372 O GLN B 4 -0.120 -1.253 -16.877 1.00 25.00 O ATOM 373 CB GLN B 4 1.005 -1.500 -19.864 1.00 25.00 C ATOM 374 CG GLN B 4 0.668 -0.017 -19.698 1.00 25.00 C ATOM 375 CD GLN B 4 1.154 0.822 -20.845 1.00 25.00 C ATOM 376 OE1 GLN B 4 2.302 1.244 -20.885 1.00 25.00 O ATOM 377 NE2 GLN B 4 0.280 1.091 -21.778 1.00 25.00 N ATOM 0 H GLN B 4 -1.585 -1.609 -18.316 1.00 25.00 H new ATOM 0 HA GLN B 4 0.535 -3.444 -19.156 1.00 25.00 H new ATOM 0 HB2 GLN B 4 2.075 -1.639 -19.708 1.00 25.00 H new ATOM 0 HB3 GLN B 4 0.791 -1.798 -20.890 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -0.412 0.097 -19.602 1.00 25.00 H new ATOM 0 HG3 GLN B 4 1.111 0.350 -18.772 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -0.668 0.721 -21.710 1.00 25.00 H new ATOM 0 HE22 GLN B 4 0.546 1.671 -22.574 1.00 25.00 H new ATOM 386 N HIS B 5 1.514 -2.769 -16.883 1.00 25.00 N ATOM 387 CA HIS B 5 2.004 -2.402 -15.549 1.00 25.00 C ATOM 388 C HIS B 5 2.675 -1.035 -15.649 1.00 25.00 C ATOM 389 O HIS B 5 3.296 -0.719 -16.669 1.00 25.00 O ATOM 390 CB HIS B 5 2.975 -3.458 -15.042 1.00 25.00 C ATOM 391 CG HIS B 5 2.364 -4.820 -14.945 1.00 25.00 C ATOM 392 ND1 HIS B 5 1.150 -5.063 -14.330 1.00 25.00 N ATOM 393 CD2 HIS B 5 2.772 -6.033 -15.383 1.00 25.00 C ATOM 394 CE1 HIS B 5 0.878 -6.361 -14.406 1.00 25.00 C ATOM 395 NE2 HIS B 5 1.844 -6.959 -15.032 1.00 25.00 N ATOM 0 H HIS B 5 1.988 -3.568 -17.305 1.00 25.00 H new ATOM 0 HA HIS B 5 1.179 -2.348 -14.838 1.00 25.00 H new ATOM 0 HB2 HIS B 5 3.837 -3.500 -15.708 1.00 25.00 H new ATOM 0 HB3 HIS B 5 3.345 -3.162 -14.060 1.00 25.00 H new ATOM 0 HD2 HIS B 5 3.686 -6.232 -15.923 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -0.005 -6.841 -14.010 1.00 25.00 H new ATOM 0 HE2 HIS B 5 1.897 -7.959 -15.228 1.00 25.00 H new ATOM 404 N LEU B 6 2.514 -0.218 -14.623 1.00 25.00 N ATOM 405 CA LEU B 6 3.020 1.153 -14.627 1.00 25.00 C ATOM 406 C LEU B 6 4.082 1.344 -13.561 1.00 25.00 C ATOM 407 O LEU B 6 3.785 1.464 -12.376 1.00 25.00 O ATOM 408 CB LEU B 6 1.877 2.143 -14.370 1.00 25.00 C ATOM 409 CG LEU B 6 0.944 2.594 -15.512 1.00 25.00 C ATOM 410 CD1 LEU B 6 1.555 2.438 -16.911 1.00 25.00 C ATOM 411 CD2 LEU B 6 -0.375 1.859 -15.448 1.00 25.00 C ATOM 0 H LEU B 6 2.031 -0.480 -13.764 1.00 25.00 H new ATOM 0 HA LEU B 6 3.459 1.340 -15.607 1.00 25.00 H new ATOM 0 HB2 LEU B 6 1.246 1.707 -13.595 1.00 25.00 H new ATOM 0 HB3 LEU B 6 2.324 3.043 -13.948 1.00 25.00 H new ATOM 0 HG LEU B 6 0.786 3.661 -15.356 1.00 25.00 H new ATOM 0 HD11 LEU B 6 0.839 2.776 -17.660 1.00 25.00 H new ATOM 0 HD12 LEU B 6 2.463 3.037 -16.980 1.00 25.00 H new ATOM 0 HD13 LEU B 6 1.798 1.390 -17.087 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -1.017 2.193 -16.263 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -0.199 0.787 -15.540 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -0.861 2.066 -14.495 1.00 25.00 H new ATOM 423 N CYS B 7 5.326 1.414 -14.001 1.00 25.00 N ATOM 424 CA CYS B 7 6.451 1.607 -13.101 1.00 25.00 C ATOM 425 C CYS B 7 7.433 2.567 -13.751 1.00 25.00 C ATOM 426 O CYS B 7 7.479 2.668 -14.980 1.00 25.00 O ATOM 427 CB CYS B 7 7.119 0.257 -12.833 1.00 25.00 C ATOM 428 SG CYS B 7 7.916 0.149 -11.202 1.00 25.00 S ATOM 0 H CYS B 7 5.585 1.339 -14.985 1.00 25.00 H new ATOM 0 HA CYS B 7 6.115 2.024 -12.152 1.00 25.00 H new ATOM 0 HB2 CYS B 7 6.371 -0.532 -12.915 1.00 25.00 H new ATOM 0 HB3 CYS B 7 7.865 0.071 -13.606 1.00 25.00 H new ATOM 433 N GLY B 8 8.202 3.290 -12.948 1.00 25.00 N ATOM 434 CA GLY B 8 9.158 4.241 -13.496 1.00 25.00 C ATOM 435 C GLY B 8 8.468 5.313 -14.320 1.00 25.00 C ATOM 436 O GLY B 8 7.355 5.736 -14.006 1.00 25.00 O ATOM 0 H GLY B 8 8.184 3.238 -11.930 1.00 25.00 H new ATOM 0 HA2 GLY B 8 9.715 4.708 -12.683 1.00 25.00 H new ATOM 0 HA3 GLY B 8 9.882 3.713 -14.117 1.00 25.00 H new ATOM 440 N SER B 9 9.102 5.719 -15.410 1.00 25.00 N ATOM 441 CA SER B 9 8.549 6.735 -16.301 1.00 25.00 C ATOM 442 C SER B 9 7.196 6.349 -16.898 1.00 25.00 C ATOM 443 O SER B 9 6.384 7.213 -17.189 1.00 25.00 O ATOM 444 CB SER B 9 9.541 6.986 -17.430 1.00 25.00 C ATOM 445 OG SER B 9 10.851 6.664 -16.988 1.00 25.00 O ATOM 0 H SER B 9 10.010 5.357 -15.703 1.00 25.00 H new ATOM 0 HA SER B 9 8.384 7.632 -15.704 1.00 25.00 H new ATOM 0 HB2 SER B 9 9.280 6.382 -18.299 1.00 25.00 H new ATOM 0 HB3 SER B 9 9.497 8.029 -17.742 1.00 25.00 H new ATOM 0 HG SER B 9 11.490 6.823 -17.714 1.00 25.00 H new ATOM 451 N HIS B 10 6.932 5.055 -17.051 1.00 25.00 N ATOM 452 CA HIS B 10 5.649 4.609 -17.606 1.00 25.00 C ATOM 453 C HIS B 10 4.488 5.041 -16.721 1.00 25.00 C ATOM 454 O HIS B 10 3.424 5.382 -17.221 1.00 25.00 O ATOM 455 CB HIS B 10 5.627 3.088 -17.778 1.00 25.00 C ATOM 456 CG HIS B 10 5.864 2.644 -19.184 1.00 25.00 C ATOM 457 ND1 HIS B 10 4.846 2.236 -20.048 1.00 25.00 N ATOM 458 CD2 HIS B 10 7.004 2.524 -19.918 1.00 25.00 C ATOM 459 CE1 HIS B 10 5.379 1.907 -21.214 1.00 25.00 C ATOM 460 NE2 HIS B 10 6.673 2.074 -21.159 1.00 25.00 N ATOM 0 H HIS B 10 7.576 4.303 -16.804 1.00 25.00 H new ATOM 0 HA HIS B 10 5.537 5.077 -18.584 1.00 25.00 H new ATOM 0 HB2 HIS B 10 6.387 2.646 -17.133 1.00 25.00 H new ATOM 0 HB3 HIS B 10 4.663 2.706 -17.442 1.00 25.00 H new ATOM 0 HD1 HIS B 10 3.853 2.198 -19.818 1.00 25.00 H new ATOM 0 HD2 HIS B 10 8.003 2.748 -19.574 1.00 25.00 H new ATOM 0 HE1 HIS B 10 4.830 1.556 -22.075 1.00 25.00 H new ATOM 469 N LEU B 11 4.700 5.054 -15.412 1.00 25.00 N ATOM 470 CA LEU B 11 3.661 5.492 -14.482 1.00 25.00 C ATOM 471 C LEU B 11 3.372 6.967 -14.698 1.00 25.00 C ATOM 472 O LEU B 11 2.227 7.375 -14.782 1.00 25.00 O ATOM 473 CB LEU B 11 4.117 5.246 -13.035 1.00 25.00 C ATOM 474 CG LEU B 11 3.180 5.697 -11.899 1.00 25.00 C ATOM 475 CD1 LEU B 11 1.803 5.045 -11.957 1.00 25.00 C ATOM 476 CD2 LEU B 11 3.846 5.359 -10.570 1.00 25.00 C ATOM 0 H LEU B 11 5.574 4.769 -14.970 1.00 25.00 H new ATOM 0 HA LEU B 11 2.750 4.922 -14.664 1.00 25.00 H new ATOM 0 HB2 LEU B 11 4.295 4.177 -12.917 1.00 25.00 H new ATOM 0 HB3 LEU B 11 5.076 5.746 -12.897 1.00 25.00 H new ATOM 0 HG LEU B 11 3.018 6.769 -12.008 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.194 5.407 -11.129 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.320 5.299 -12.900 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.910 3.963 -11.884 1.00 25.00 H new ATOM 0 HD21 LEU B 11 3.199 5.670 -9.749 1.00 25.00 H new ATOM 0 HD22 LEU B 11 4.015 4.284 -10.511 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.800 5.881 -10.498 1.00 25.00 H new ATOM 488 N VAL B 12 4.425 7.752 -14.837 1.00 25.00 N ATOM 489 CA VAL B 12 4.294 9.193 -15.037 1.00 25.00 C ATOM 490 C VAL B 12 3.565 9.488 -16.352 1.00 25.00 C ATOM 491 O VAL B 12 2.670 10.325 -16.407 1.00 25.00 O ATOM 492 CB VAL B 12 5.703 9.854 -15.044 1.00 25.00 C ATOM 493 CG1 VAL B 12 5.605 11.359 -15.213 1.00 25.00 C ATOM 494 CG2 VAL B 12 6.449 9.520 -13.738 1.00 25.00 C ATOM 0 H VAL B 12 5.388 7.418 -14.816 1.00 25.00 H new ATOM 0 HA VAL B 12 3.708 9.610 -14.218 1.00 25.00 H new ATOM 0 HB VAL B 12 6.259 9.453 -15.892 1.00 25.00 H new ATOM 0 HG11 VAL B 12 6.606 11.791 -15.214 1.00 25.00 H new ATOM 0 HG12 VAL B 12 5.110 11.588 -16.157 1.00 25.00 H new ATOM 0 HG13 VAL B 12 5.028 11.781 -14.390 1.00 25.00 H new ATOM 0 HG21 VAL B 12 7.434 9.987 -13.752 1.00 25.00 H new ATOM 0 HG22 VAL B 12 5.881 9.897 -12.888 1.00 25.00 H new ATOM 0 HG23 VAL B 12 6.561 8.439 -13.649 1.00 25.00 H new ATOM 504 N GLU B 13 3.918 8.759 -17.401 1.00 25.00 N ATOM 505 CA GLU B 13 3.296 8.945 -18.714 1.00 25.00 C ATOM 506 C GLU B 13 1.807 8.621 -18.662 1.00 25.00 C ATOM 507 O GLU B 13 0.996 9.267 -19.317 1.00 25.00 O ATOM 508 CB GLU B 13 3.971 8.035 -19.744 1.00 25.00 C ATOM 509 CG GLU B 13 5.385 8.464 -20.117 1.00 25.00 C ATOM 510 CD GLU B 13 6.083 7.451 -20.980 1.00 25.00 C ATOM 511 OE1 GLU B 13 6.342 6.326 -20.626 1.00 25.00 O ATOM 512 OE2 GLU B 13 6.378 7.891 -22.150 1.00 25.00 O ATOM 0 H GLU B 13 4.632 8.031 -17.373 1.00 25.00 H new ATOM 0 HA GLU B 13 3.420 9.989 -19.002 1.00 25.00 H new ATOM 0 HB2 GLU B 13 4.002 7.019 -19.351 1.00 25.00 H new ATOM 0 HB3 GLU B 13 3.360 8.009 -20.646 1.00 25.00 H new ATOM 0 HG2 GLU B 13 5.345 9.419 -20.642 1.00 25.00 H new ATOM 0 HG3 GLU B 13 5.965 8.624 -19.208 1.00 25.00 H new ATOM 520 N ALA B 14 1.447 7.620 -17.875 1.00 25.00 N ATOM 521 CA ALA B 14 0.056 7.208 -17.769 1.00 25.00 C ATOM 522 C ALA B 14 -0.742 8.240 -16.978 1.00 25.00 C ATOM 523 O ALA B 14 -1.896 8.517 -17.288 1.00 25.00 O ATOM 524 CB ALA B 14 -0.023 5.853 -17.094 1.00 25.00 C ATOM 0 H ALA B 14 2.095 7.079 -17.302 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.372 7.134 -18.769 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.066 5.546 -17.015 1.00 25.00 H new ATOM 0 HB2 ALA B 14 0.528 5.120 -17.684 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.412 5.917 -16.097 1.00 25.00 H new ATOM 530 N LEU B 15 -0.125 8.799 -15.952 1.00 25.00 N ATOM 531 CA LEU B 15 -0.799 9.765 -15.094 1.00 25.00 C ATOM 532 C LEU B 15 -1.121 11.063 -15.817 1.00 25.00 C ATOM 533 O LEU B 15 -2.145 11.679 -15.536 1.00 25.00 O ATOM 534 CB LEU B 15 0.050 10.043 -13.855 1.00 25.00 C ATOM 535 CG LEU B 15 0.069 8.909 -12.820 1.00 25.00 C ATOM 536 CD1 LEU B 15 1.082 9.202 -11.721 1.00 25.00 C ATOM 537 CD2 LEU B 15 -1.308 8.726 -12.231 1.00 25.00 C ATOM 0 H LEU B 15 0.841 8.603 -15.690 1.00 25.00 H new ATOM 0 HA LEU B 15 -1.750 9.325 -14.795 1.00 25.00 H new ATOM 0 HB2 LEU B 15 1.074 10.245 -14.171 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.320 10.949 -13.374 1.00 25.00 H new ATOM 0 HG LEU B 15 0.365 7.986 -13.319 1.00 25.00 H new ATOM 0 HD11 LEU B 15 1.080 8.387 -10.998 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.076 9.297 -12.158 1.00 25.00 H new ATOM 0 HD13 LEU B 15 0.816 10.132 -11.220 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.286 7.920 -11.498 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -1.622 9.650 -11.745 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -2.013 8.476 -13.024 1.00 25.00 H new ATOM 549 N TYR B 16 -0.317 11.434 -16.806 1.00 25.00 N ATOM 550 CA TYR B 16 -0.632 12.608 -17.623 1.00 25.00 C ATOM 551 C TYR B 16 -1.963 12.410 -18.334 1.00 25.00 C ATOM 552 O TYR B 16 -2.743 13.341 -18.467 1.00 25.00 O ATOM 553 CB TYR B 16 0.454 12.871 -18.672 1.00 25.00 C ATOM 554 CG TYR B 16 1.639 13.647 -18.145 1.00 25.00 C ATOM 555 CD1 TYR B 16 1.502 14.999 -17.764 1.00 25.00 C ATOM 556 CD2 TYR B 16 2.908 13.048 -18.037 1.00 25.00 C ATOM 557 CE1 TYR B 16 2.614 15.735 -17.270 1.00 25.00 C ATOM 558 CE2 TYR B 16 4.024 13.785 -17.555 1.00 25.00 C ATOM 559 CZ TYR B 16 3.862 15.117 -17.172 1.00 25.00 C ATOM 560 OH TYR B 16 4.941 15.816 -16.696 1.00 25.00 O ATOM 0 H TYR B 16 0.544 10.951 -17.062 1.00 25.00 H new ATOM 0 HA TYR B 16 -0.687 13.466 -16.953 1.00 25.00 H new ATOM 0 HB2 TYR B 16 0.803 11.917 -19.066 1.00 25.00 H new ATOM 0 HB3 TYR B 16 0.015 13.419 -19.506 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.539 15.481 -17.849 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.036 12.015 -18.324 1.00 25.00 H new ATOM 0 HE1 TYR B 16 2.494 16.766 -16.972 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.994 13.315 -17.485 1.00 25.00 H new ATOM 0 HH TYR B 16 5.731 15.236 -16.693 1.00 25.00 H new ATOM 570 N LEU B 17 -2.236 11.192 -18.776 1.00 25.00 N ATOM 571 CA LEU B 17 -3.492 10.909 -19.462 1.00 25.00 C ATOM 572 C LEU B 17 -4.684 10.920 -18.513 1.00 25.00 C ATOM 573 O LEU B 17 -5.751 11.410 -18.852 1.00 25.00 O ATOM 574 CB LEU B 17 -3.447 9.535 -20.119 1.00 25.00 C ATOM 575 CG LEU B 17 -2.342 9.270 -21.153 1.00 25.00 C ATOM 576 CD1 LEU B 17 -2.347 7.782 -21.518 1.00 25.00 C ATOM 577 CD2 LEU B 17 -2.529 10.118 -22.410 1.00 25.00 C ATOM 0 H LEU B 17 -1.614 10.390 -18.675 1.00 25.00 H new ATOM 0 HA LEU B 17 -3.614 11.696 -20.206 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -3.352 8.789 -19.330 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -4.408 9.365 -20.605 1.00 25.00 H new ATOM 0 HG LEU B 17 -1.384 9.546 -20.713 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.565 7.585 -22.252 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -2.163 7.187 -20.623 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -3.316 7.514 -21.939 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -1.728 9.902 -23.117 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -3.490 9.883 -22.868 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -2.503 11.175 -22.143 1.00 25.00 H new ATOM 589 N VAL B 18 -4.512 10.317 -17.345 1.00 25.00 N ATOM 590 CA VAL B 18 -5.619 10.158 -16.400 1.00 25.00 C ATOM 591 C VAL B 18 -5.983 11.495 -15.772 1.00 25.00 C ATOM 592 O VAL B 18 -7.159 11.841 -15.656 1.00 25.00 O ATOM 593 CB VAL B 18 -5.258 9.125 -15.290 1.00 25.00 C ATOM 594 CG1 VAL B 18 -6.391 8.993 -14.256 1.00 25.00 C ATOM 595 CG2 VAL B 18 -4.991 7.757 -15.927 1.00 25.00 C ATOM 0 H VAL B 18 -3.624 9.930 -17.026 1.00 25.00 H new ATOM 0 HA VAL B 18 -6.481 9.784 -16.952 1.00 25.00 H new ATOM 0 HB VAL B 18 -4.365 9.480 -14.776 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -6.107 8.265 -13.496 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -6.568 9.960 -13.784 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -7.302 8.661 -14.754 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -4.739 7.036 -15.149 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -5.883 7.422 -16.457 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -4.161 7.838 -16.629 1.00 25.00 H new ATOM 605 N CYS B 19 -4.983 12.260 -15.377 1.00 25.00 N ATOM 606 CA CYS B 19 -5.238 13.554 -14.766 1.00 25.00 C ATOM 607 C CYS B 19 -5.535 14.619 -15.806 1.00 25.00 C ATOM 608 O CYS B 19 -6.208 15.613 -15.501 1.00 25.00 O ATOM 609 CB CYS B 19 -4.060 13.970 -13.898 1.00 25.00 C ATOM 610 SG CYS B 19 -3.975 12.960 -12.391 1.00 25.00 S ATOM 0 H CYS B 19 -3.997 12.014 -15.466 1.00 25.00 H new ATOM 0 HA CYS B 19 -6.123 13.454 -14.138 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.133 13.867 -14.462 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -4.154 15.022 -13.630 1.00 25.00 H new ATOM 615 N GLY B 20 -5.058 14.431 -17.027 1.00 25.00 N ATOM 616 CA GLY B 20 -5.240 15.451 -18.040 1.00 25.00 C ATOM 617 C GLY B 20 -4.593 16.747 -17.582 1.00 25.00 C ATOM 618 O GLY B 20 -3.513 16.754 -16.998 1.00 25.00 O ATOM 0 H GLY B 20 -4.553 13.599 -17.333 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -4.798 15.125 -18.982 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -6.303 15.609 -18.224 1.00 25.00 H new ATOM 622 N GLU B 21 -5.291 17.850 -17.801 1.00 25.00 N ATOM 623 CA GLU B 21 -4.792 19.177 -17.427 1.00 25.00 C ATOM 624 C GLU B 21 -4.748 19.438 -15.912 1.00 25.00 C ATOM 625 O GLU B 21 -4.210 20.449 -15.484 1.00 25.00 O ATOM 626 CB GLU B 21 -5.671 20.248 -18.085 1.00 25.00 C ATOM 627 CG GLU B 21 -5.620 20.231 -19.617 1.00 25.00 C ATOM 628 CD GLU B 21 -6.470 21.306 -20.233 1.00 25.00 C ATOM 629 OE1 GLU B 21 -7.338 21.881 -19.646 1.00 25.00 O ATOM 630 OE2 GLU B 21 -6.180 21.546 -21.474 1.00 25.00 O ATOM 0 H GLU B 21 -6.212 17.859 -18.239 1.00 25.00 H new ATOM 0 HA GLU B 21 -3.761 19.220 -17.778 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -6.703 20.107 -17.763 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -5.358 21.230 -17.731 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -4.588 20.356 -19.944 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -5.953 19.258 -19.978 1.00 25.00 H new ATOM 638 N ARG B 22 -5.315 18.548 -15.100 1.00 25.00 N ATOM 639 CA ARG B 22 -5.336 18.752 -13.640 1.00 25.00 C ATOM 640 C ARG B 22 -3.955 18.610 -13.012 1.00 25.00 C ATOM 641 O ARG B 22 -3.686 19.174 -11.957 1.00 25.00 O ATOM 642 CB ARG B 22 -6.267 17.748 -12.964 1.00 25.00 C ATOM 643 CG ARG B 22 -7.735 17.938 -13.313 1.00 25.00 C ATOM 644 CD ARG B 22 -8.575 16.858 -12.661 1.00 25.00 C ATOM 645 NE ARG B 22 -8.353 15.551 -13.302 1.00 25.00 N ATOM 646 CZ ARG B 22 -8.700 14.376 -12.787 1.00 25.00 C ATOM 647 NH1 ARG B 22 -9.255 14.258 -11.608 1.00 25.00 N ATOM 648 NH2 ARG B 22 -8.475 13.292 -13.463 1.00 25.00 N ATOM 0 H ARG B 22 -5.762 17.687 -15.416 1.00 25.00 H new ATOM 0 HA ARG B 22 -5.692 19.770 -13.485 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -5.964 16.740 -13.246 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -6.147 17.827 -11.883 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -8.071 18.920 -12.980 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -7.866 17.906 -14.395 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -8.329 16.793 -11.601 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -9.630 17.124 -12.728 1.00 25.00 H new ATOM 0 HE ARG B 22 -7.896 15.547 -14.214 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -9.438 15.089 -11.045 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -9.505 13.335 -11.252 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -8.035 13.346 -14.382 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -8.738 12.386 -13.076 1.00 25.00 H new ATOM 662 N GLY B 23 -3.096 17.834 -13.653 1.00 25.00 N ATOM 663 CA GLY B 23 -1.769 17.590 -13.114 1.00 25.00 C ATOM 664 C GLY B 23 -1.769 16.572 -11.985 1.00 25.00 C ATOM 665 O GLY B 23 -2.815 16.140 -11.500 1.00 25.00 O ATOM 0 H GLY B 23 -3.291 17.367 -14.538 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -1.116 17.239 -13.913 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -1.351 18.529 -12.750 1.00 25.00 H new ATOM 669 N PHE B 24 -0.575 16.168 -11.585 1.00 25.00 N ATOM 670 CA PHE B 24 -0.378 15.162 -10.547 1.00 25.00 C ATOM 671 C PHE B 24 1.044 15.350 -10.070 1.00 25.00 C ATOM 672 O PHE B 24 1.783 16.149 -10.645 1.00 25.00 O ATOM 673 CB PHE B 24 -0.550 13.751 -11.115 1.00 25.00 C ATOM 674 CG PHE B 24 0.443 13.408 -12.179 1.00 25.00 C ATOM 675 CD1 PHE B 24 0.209 13.780 -13.511 1.00 25.00 C ATOM 676 CD2 PHE B 24 1.625 12.721 -11.854 1.00 25.00 C ATOM 677 CE1 PHE B 24 1.147 13.481 -14.513 1.00 25.00 C ATOM 678 CE2 PHE B 24 2.570 12.408 -12.851 1.00 25.00 C ATOM 679 CZ PHE B 24 2.332 12.797 -14.189 1.00 25.00 C ATOM 0 H PHE B 24 0.295 16.531 -11.974 1.00 25.00 H new ATOM 0 HA PHE B 24 -1.105 15.275 -9.743 1.00 25.00 H new ATOM 0 HB2 PHE B 24 -0.464 13.029 -10.303 1.00 25.00 H new ATOM 0 HB3 PHE B 24 -1.556 13.653 -11.523 1.00 25.00 H new ATOM 0 HD1 PHE B 24 -0.701 14.301 -13.769 1.00 25.00 H new ATOM 0 HD2 PHE B 24 1.811 12.430 -10.831 1.00 25.00 H new ATOM 0 HE1 PHE B 24 0.958 13.777 -15.534 1.00 25.00 H new ATOM 0 HE2 PHE B 24 3.472 11.873 -12.594 1.00 25.00 H new ATOM 0 HZ PHE B 24 3.056 12.570 -14.958 1.00 25.00 H new ATOM 689 N PHE B 25 1.443 14.587 -9.070 1.00 25.00 N ATOM 690 CA PHE B 25 2.811 14.613 -8.583 1.00 25.00 C ATOM 691 C PHE B 25 3.221 13.170 -8.347 1.00 25.00 C ATOM 692 O PHE B 25 2.377 12.281 -8.282 1.00 25.00 O ATOM 693 CB PHE B 25 2.909 15.433 -7.291 1.00 25.00 C ATOM 694 CG PHE B 25 2.040 14.912 -6.177 1.00 25.00 C ATOM 695 CD1 PHE B 25 0.701 15.338 -6.054 1.00 25.00 C ATOM 696 CD2 PHE B 25 2.552 13.992 -5.241 1.00 25.00 C ATOM 697 CE1 PHE B 25 -0.125 14.843 -5.021 1.00 25.00 C ATOM 698 CE2 PHE B 25 1.735 13.489 -4.198 1.00 25.00 C ATOM 699 CZ PHE B 25 0.391 13.913 -4.094 1.00 25.00 C ATOM 0 H PHE B 25 0.834 13.936 -8.575 1.00 25.00 H new ATOM 0 HA PHE B 25 3.475 15.086 -9.307 1.00 25.00 H new ATOM 0 HB2 PHE B 25 3.946 15.444 -6.956 1.00 25.00 H new ATOM 0 HB3 PHE B 25 2.631 16.465 -7.504 1.00 25.00 H new ATOM 0 HD1 PHE B 25 0.302 16.052 -6.759 1.00 25.00 H new ATOM 0 HD2 PHE B 25 3.579 13.666 -5.319 1.00 25.00 H new ATOM 0 HE1 PHE B 25 -1.149 15.176 -4.941 1.00 25.00 H new ATOM 0 HE2 PHE B 25 2.138 12.784 -3.485 1.00 25.00 H new ATOM 0 HZ PHE B 25 -0.239 13.526 -3.307 1.00 25.00 H new ATOM 709 N TYR B 26 4.516 12.934 -8.234 1.00 25.00 N ATOM 710 CA TYR B 26 5.029 11.598 -7.980 1.00 25.00 C ATOM 711 C TYR B 26 6.232 11.738 -7.077 1.00 25.00 C ATOM 712 O TYR B 26 7.026 12.655 -7.243 1.00 25.00 O ATOM 713 CB TYR B 26 5.439 10.914 -9.285 1.00 25.00 C ATOM 714 CG TYR B 26 6.094 9.575 -9.044 1.00 25.00 C ATOM 715 CD1 TYR B 26 5.335 8.473 -8.603 1.00 25.00 C ATOM 716 CD2 TYR B 26 7.484 9.404 -9.228 1.00 25.00 C ATOM 717 CE1 TYR B 26 5.951 7.223 -8.347 1.00 25.00 C ATOM 718 CE2 TYR B 26 8.099 8.149 -8.984 1.00 25.00 C ATOM 719 CZ TYR B 26 7.325 7.072 -8.547 1.00 25.00 C ATOM 720 OH TYR B 26 7.921 5.859 -8.312 1.00 25.00 O ATOM 0 H TYR B 26 5.235 13.653 -8.314 1.00 25.00 H new ATOM 0 HA TYR B 26 4.257 10.986 -7.513 1.00 25.00 H new ATOM 0 HB2 TYR B 26 4.560 10.779 -9.914 1.00 25.00 H new ATOM 0 HB3 TYR B 26 6.126 11.560 -9.832 1.00 25.00 H new ATOM 0 HD1 TYR B 26 4.270 8.582 -8.458 1.00 25.00 H new ATOM 0 HD2 TYR B 26 8.085 10.238 -9.558 1.00 25.00 H new ATOM 0 HE1 TYR B 26 5.360 6.389 -7.998 1.00 25.00 H new ATOM 0 HE2 TYR B 26 9.161 8.027 -9.136 1.00 25.00 H new ATOM 0 HH TYR B 26 8.880 5.924 -8.501 1.00 25.00 H new ATOM 730 N THR B 27 6.373 10.828 -6.128 1.00 25.00 N ATOM 731 CA THR B 27 7.516 10.838 -5.230 1.00 25.00 C ATOM 732 C THR B 27 8.309 9.549 -5.464 1.00 25.00 C ATOM 733 O THR B 27 7.764 8.440 -5.335 1.00 25.00 O ATOM 734 CB THR B 27 7.072 10.962 -3.753 1.00 25.00 C ATOM 735 OG1 THR B 27 6.112 9.947 -3.440 1.00 25.00 O ATOM 736 CG2 THR B 27 6.412 12.307 -3.504 1.00 25.00 C ATOM 0 H THR B 27 5.709 10.072 -5.959 1.00 25.00 H new ATOM 0 HA THR B 27 8.143 11.705 -5.438 1.00 25.00 H new ATOM 0 HB THR B 27 7.961 10.857 -3.131 1.00 25.00 H new ATOM 0 HG1 THR B 27 6.293 9.148 -3.978 1.00 25.00 H new ATOM 0 HG21 THR B 27 6.107 12.375 -2.460 1.00 25.00 H new ATOM 0 HG22 THR B 27 7.119 13.106 -3.728 1.00 25.00 H new ATOM 0 HG23 THR B 27 5.536 12.407 -4.145 1.00 25.00 H new ATOM 744 N PRO B 28 9.592 9.663 -5.847 1.00 25.00 N ATOM 745 CA PRO B 28 10.337 8.431 -6.122 1.00 25.00 C ATOM 746 C PRO B 28 10.693 7.674 -4.850 1.00 25.00 C ATOM 747 O PRO B 28 10.558 8.195 -3.739 1.00 25.00 O ATOM 748 CB PRO B 28 11.586 8.948 -6.838 1.00 25.00 C ATOM 749 CG PRO B 28 11.818 10.274 -6.230 1.00 25.00 C ATOM 750 CD PRO B 28 10.434 10.856 -6.076 1.00 25.00 C ATOM 0 HA PRO B 28 9.765 7.712 -6.708 1.00 25.00 H new ATOM 0 HB2 PRO B 28 12.437 8.284 -6.687 1.00 25.00 H new ATOM 0 HB3 PRO B 28 11.428 9.023 -7.914 1.00 25.00 H new ATOM 0 HG2 PRO B 28 12.324 10.188 -5.268 1.00 25.00 H new ATOM 0 HG3 PRO B 28 12.445 10.900 -6.865 1.00 25.00 H new ATOM 0 HD2 PRO B 28 10.381 11.553 -5.240 1.00 25.00 H new ATOM 0 HD3 PRO B 28 10.125 11.402 -6.967 1.00 25.00 H new ATOM 758 N LYS B 29 11.125 6.430 -5.012 1.00 25.00 N ATOM 759 CA LYS B 29 11.504 5.575 -3.887 1.00 25.00 C ATOM 760 C LYS B 29 12.839 4.929 -4.211 1.00 25.00 C ATOM 761 O LYS B 29 12.915 3.983 -4.980 1.00 25.00 O ATOM 762 CB LYS B 29 10.430 4.499 -3.640 1.00 25.00 C ATOM 763 CG LYS B 29 9.049 5.064 -3.260 1.00 25.00 C ATOM 764 CD LYS B 29 9.054 5.705 -1.862 1.00 25.00 C ATOM 765 CE LYS B 29 7.815 6.564 -1.636 1.00 25.00 C ATOM 766 NZ LYS B 29 7.882 7.809 -2.473 1.00 25.00 N ATOM 0 H LYS B 29 11.224 5.983 -5.924 1.00 25.00 H new ATOM 0 HA LYS B 29 11.589 6.171 -2.979 1.00 25.00 H new ATOM 0 HB2 LYS B 29 10.327 3.891 -4.539 1.00 25.00 H new ATOM 0 HB3 LYS B 29 10.771 3.837 -2.844 1.00 25.00 H new ATOM 0 HG2 LYS B 29 8.745 5.806 -3.998 1.00 25.00 H new ATOM 0 HG3 LYS B 29 8.309 4.264 -3.289 1.00 25.00 H new ATOM 0 HD2 LYS B 29 9.100 4.924 -1.103 1.00 25.00 H new ATOM 0 HD3 LYS B 29 9.948 6.317 -1.744 1.00 25.00 H new ATOM 0 HE2 LYS B 29 6.920 5.996 -1.889 1.00 25.00 H new ATOM 0 HE3 LYS B 29 7.737 6.830 -0.582 1.00 25.00 H new ATOM 0 HZ1 LYS B 29 7.390 8.584 -1.983 1.00 25.00 H new ATOM 0 HZ2 LYS B 29 8.877 8.072 -2.625 1.00 25.00 H new ATOM 0 HZ3 LYS B 29 7.425 7.635 -3.391 1.00 25.00 H new ATOM 780 N THR B 30 13.901 5.498 -3.657 1.00 25.00 N ATOM 781 CA THR B 30 15.273 5.031 -3.879 1.00 25.00 C ATOM 782 C THR B 30 15.686 3.881 -2.963 1.00 25.00 C ATOM 783 O THR B 30 16.582 3.114 -3.216 1.00 25.00 O ATOM 784 CB THR B 30 16.226 6.218 -3.707 1.00 25.00 C ATOM 785 OG1 THR B 30 15.649 7.091 -2.736 1.00 25.00 O ATOM 786 CG2 THR B 30 16.356 7.019 -5.013 1.00 25.00 C ATOM 787 OXT THR B 30 15.024 3.789 -1.852 1.00 25.00 O ATOM 0 H THR B 30 13.840 6.304 -3.035 1.00 25.00 H new ATOM 0 HA THR B 30 15.324 4.632 -4.892 1.00 25.00 H new ATOM 0 HB THR B 30 17.207 5.845 -3.414 1.00 25.00 H new ATOM 0 HG1 THR B 30 15.422 6.580 -1.931 1.00 25.00 H new ATOM 0 HG21 THR B 30 17.039 7.855 -4.861 1.00 25.00 H new ATOM 0 HG22 THR B 30 16.745 6.372 -5.799 1.00 25.00 H new ATOM 0 HG23 THR B 30 15.377 7.399 -5.306 1.00 25.00 H new TER 796 THR B 30