USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=11 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= -0.621 (180deg=-0.621) USER MOD Single : A 5 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.11) USER MOD Single : A 8 THR OG1 : rot -85:sc= 0.0868 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 33 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : B 34 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : B 35 HIS : no HE2:sc= 0.763 K(o=0.76,f=-2.6!) 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) USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= 0 X(o=0,f=-0.19) 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.474 2.260 0.023 1.00 25.00 N ATOM 2 CA GLY A 1 3.553 1.471 -0.836 1.00 25.00 C ATOM 3 C GLY A 1 4.141 0.130 -1.183 1.00 25.00 C ATOM 4 O GLY A 1 3.625 -0.808 -1.802 1.00 25.00 O ATOM 0 H1 GLY A 1 4.040 3.179 0.245 1.00 25.00 H new ATOM 0 H2 GLY A 1 4.656 1.741 0.906 1.00 25.00 H new ATOM 0 H3 GLY A 1 5.372 2.413 -0.479 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.603 1.331 -0.321 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.341 2.025 -1.751 1.00 25.00 H new ATOM 9 N ILE A 2 5.327 0.041 -0.612 1.00 25.00 N ATOM 10 CA ILE A 2 6.228 -1.111 -0.690 1.00 25.00 C ATOM 11 C ILE A 2 5.534 -2.439 -0.322 1.00 25.00 C ATOM 12 O ILE A 2 5.716 -3.456 -0.990 1.00 25.00 O ATOM 13 CB ILE A 2 7.514 -0.931 0.221 1.00 25.00 C ATOM 14 CG1 ILE A 2 8.300 -2.253 0.141 1.00 25.00 C ATOM 15 CG2 ILE A 2 7.211 -0.532 1.695 1.00 25.00 C ATOM 16 CD1 ILE A 2 9.684 -2.158 0.733 1.00 25.00 C ATOM 0 H ILE A 2 5.714 0.802 -0.053 1.00 25.00 H new ATOM 0 HA ILE A 2 6.535 -1.158 -1.735 1.00 25.00 H new ATOM 0 HB ILE A 2 8.096 -0.090 -0.156 1.00 25.00 H new ATOM 0 HG12 ILE A 2 7.742 -3.032 0.661 1.00 25.00 H new ATOM 0 HG13 ILE A 2 8.378 -2.559 -0.902 1.00 25.00 H new ATOM 0 HG21 ILE A 2 8.147 -0.431 2.244 1.00 25.00 H new ATOM 0 HG22 ILE A 2 6.676 0.417 1.712 1.00 25.00 H new ATOM 0 HG23 ILE A 2 6.598 -1.303 2.162 1.00 25.00 H new ATOM 0 HD11 ILE A 2 10.184 -3.122 0.645 1.00 25.00 H new ATOM 0 HD12 ILE A 2 10.258 -1.401 0.198 1.00 25.00 H new ATOM 0 HD13 ILE A 2 9.612 -1.882 1.785 1.00 25.00 H new ATOM 28 N VAL A 3 4.754 -2.441 0.745 1.00 25.00 N ATOM 29 CA VAL A 3 4.139 -3.658 1.212 1.00 25.00 C ATOM 30 C VAL A 3 3.177 -4.128 0.109 1.00 25.00 C ATOM 31 O VAL A 3 3.207 -5.267 -0.261 1.00 25.00 O ATOM 32 CB VAL A 3 3.380 -3.432 2.571 1.00 25.00 C ATOM 33 CG1 VAL A 3 2.666 -4.735 3.062 1.00 25.00 C ATOM 34 CG2 VAL A 3 4.335 -2.960 3.627 1.00 25.00 C ATOM 0 H VAL A 3 4.536 -1.613 1.299 1.00 25.00 H new ATOM 0 HA VAL A 3 4.897 -4.416 1.409 1.00 25.00 H new ATOM 0 HB VAL A 3 2.619 -2.672 2.394 1.00 25.00 H new ATOM 0 HG11 VAL A 3 2.154 -4.536 4.003 1.00 25.00 H new ATOM 0 HG12 VAL A 3 1.940 -5.056 2.315 1.00 25.00 H new ATOM 0 HG13 VAL A 3 3.406 -5.521 3.211 1.00 25.00 H new ATOM 0 HG21 VAL A 3 3.797 -2.807 4.562 1.00 25.00 H new ATOM 0 HG22 VAL A 3 5.114 -3.708 3.774 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.790 -2.021 3.313 1.00 25.00 H new ATOM 44 N GLU A 4 2.345 -3.231 -0.407 1.00 25.00 N ATOM 45 CA GLU A 4 1.362 -3.624 -1.376 1.00 25.00 C ATOM 46 C GLU A 4 2.073 -4.066 -2.666 1.00 25.00 C ATOM 47 O GLU A 4 1.514 -4.912 -3.339 1.00 25.00 O ATOM 48 CB GLU A 4 0.411 -2.484 -1.688 1.00 25.00 C ATOM 49 CG GLU A 4 -0.453 -2.079 -0.449 1.00 25.00 C ATOM 50 CD GLU A 4 -1.545 -1.126 -0.825 1.00 25.00 C ATOM 51 OE1 GLU A 4 -1.771 -0.813 -1.957 1.00 25.00 O ATOM 52 OE2 GLU A 4 -2.174 -0.694 0.176 1.00 25.00 O ATOM 0 H GLU A 4 2.340 -2.240 -0.166 1.00 25.00 H new ATOM 0 HA GLU A 4 0.781 -4.448 -0.963 1.00 25.00 H new ATOM 0 HB2 GLU A 4 0.982 -1.620 -2.029 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.246 -2.775 -2.507 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -0.888 -2.972 -0.000 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.186 -1.621 0.307 1.00 25.00 H new ATOM 60 N GLN A 5 3.208 -3.532 -2.993 1.00 25.00 N ATOM 61 CA GLN A 5 3.881 -3.923 -4.217 1.00 25.00 C ATOM 62 C GLN A 5 4.445 -5.339 -4.139 1.00 25.00 C ATOM 63 O GLN A 5 4.304 -6.142 -5.040 1.00 25.00 O ATOM 64 CB GLN A 5 5.001 -2.949 -4.501 1.00 25.00 C ATOM 65 CG GLN A 5 4.688 -2.123 -5.752 1.00 25.00 C ATOM 66 CD GLN A 5 3.393 -1.377 -5.730 1.00 25.00 C ATOM 67 OE1 GLN A 5 3.207 -0.444 -4.924 1.00 25.00 O ATOM 68 NE2 GLN A 5 2.497 -1.726 -6.622 1.00 25.00 N ATOM 0 H GLN A 5 3.696 -2.827 -2.441 1.00 25.00 H new ATOM 0 HA GLN A 5 3.145 -3.907 -5.021 1.00 25.00 H new ATOM 0 HB2 GLN A 5 5.141 -2.287 -3.646 1.00 25.00 H new ATOM 0 HB3 GLN A 5 5.936 -3.491 -4.641 1.00 25.00 H new ATOM 0 HG2 GLN A 5 5.496 -1.407 -5.903 1.00 25.00 H new ATOM 0 HG3 GLN A 5 4.687 -2.790 -6.614 1.00 25.00 H new ATOM 0 HE21 GLN A 5 2.689 -2.496 -7.263 1.00 25.00 H new ATOM 0 HE22 GLN A 5 1.608 -1.228 -6.674 1.00 25.00 H new ATOM 77 N CYS A 6 5.157 -5.622 -3.044 1.00 25.00 N ATOM 78 CA CYS A 6 5.819 -6.907 -2.844 1.00 25.00 C ATOM 79 C CYS A 6 4.928 -8.047 -2.329 1.00 25.00 C ATOM 80 O CYS A 6 5.229 -9.239 -2.529 1.00 25.00 O ATOM 81 CB CYS A 6 6.947 -6.742 -1.829 1.00 25.00 C ATOM 82 SG CYS A 6 8.465 -6.158 -2.619 1.00 25.00 S ATOM 0 H CYS A 6 5.288 -4.965 -2.275 1.00 25.00 H new ATOM 0 HA CYS A 6 6.159 -7.191 -3.840 1.00 25.00 H new ATOM 0 HB2 CYS A 6 6.643 -6.036 -1.056 1.00 25.00 H new ATOM 0 HB3 CYS A 6 7.136 -7.695 -1.334 1.00 25.00 H new ATOM 87 N CYS A 7 3.838 -7.690 -1.623 1.00 25.00 N ATOM 88 CA CYS A 7 2.925 -8.679 -1.033 1.00 25.00 C ATOM 89 C CYS A 7 2.102 -9.391 -2.123 1.00 25.00 C ATOM 90 O CYS A 7 1.355 -10.362 -1.796 1.00 25.00 O ATOM 91 CB CYS A 7 1.995 -8.040 0.002 1.00 25.00 C ATOM 92 SG CYS A 7 1.114 -9.243 1.074 1.00 25.00 S ATOM 0 H CYS A 7 3.571 -6.721 -1.449 1.00 25.00 H new ATOM 0 HA CYS A 7 3.539 -9.420 -0.522 1.00 25.00 H new ATOM 0 HB2 CYS A 7 2.579 -7.369 0.632 1.00 25.00 H new ATOM 0 HB3 CYS A 7 1.258 -7.428 -0.518 1.00 25.00 H new ATOM 97 N THR A 8 2.167 -8.885 -3.357 1.00 25.00 N ATOM 98 CA THR A 8 1.461 -9.492 -4.495 1.00 25.00 C ATOM 99 C THR A 8 2.587 -9.948 -5.445 1.00 25.00 C ATOM 100 O THR A 8 3.673 -9.374 -5.424 1.00 25.00 O ATOM 101 CB THR A 8 0.513 -8.461 -5.175 1.00 25.00 C ATOM 102 OG1 THR A 8 1.195 -7.252 -5.476 1.00 25.00 O ATOM 103 CG2 THR A 8 -0.668 -8.135 -4.299 1.00 25.00 C ATOM 0 H THR A 8 2.704 -8.052 -3.597 1.00 25.00 H new ATOM 0 HA THR A 8 0.820 -10.322 -4.198 1.00 25.00 H new ATOM 0 HB THR A 8 0.164 -8.925 -6.098 1.00 25.00 H new ATOM 0 HG1 THR A 8 1.196 -6.672 -4.686 1.00 25.00 H new ATOM 0 HG21 THR A 8 -1.308 -7.413 -4.805 1.00 25.00 H new ATOM 0 HG22 THR A 8 -1.235 -9.044 -4.099 1.00 25.00 H new ATOM 0 HG23 THR A 8 -0.317 -7.712 -3.358 1.00 25.00 H new ATOM 111 N SER A 9 2.364 -10.983 -6.247 1.00 25.00 N ATOM 112 CA SER A 9 3.405 -11.544 -7.084 1.00 25.00 C ATOM 113 C SER A 9 4.669 -11.855 -6.251 1.00 25.00 C ATOM 114 O SER A 9 4.572 -12.160 -5.052 1.00 25.00 O ATOM 115 CB SER A 9 3.754 -10.594 -8.254 1.00 25.00 C ATOM 116 OG SER A 9 2.534 -10.140 -8.855 1.00 25.00 O ATOM 0 H SER A 9 1.461 -11.450 -6.332 1.00 25.00 H new ATOM 0 HA SER A 9 3.026 -12.476 -7.504 1.00 25.00 H new ATOM 0 HB2 SER A 9 4.336 -9.746 -7.892 1.00 25.00 H new ATOM 0 HB3 SER A 9 4.369 -11.111 -8.991 1.00 25.00 H new ATOM 0 HG SER A 9 2.741 -9.535 -9.598 1.00 25.00 H new ATOM 122 N ILE A 10 5.835 -11.854 -6.877 1.00 25.00 N ATOM 123 CA ILE A 10 7.099 -12.008 -6.183 1.00 25.00 C ATOM 124 C ILE A 10 8.053 -10.901 -6.646 1.00 25.00 C ATOM 125 O ILE A 10 8.536 -10.960 -7.768 1.00 25.00 O ATOM 126 CB ILE A 10 7.777 -13.438 -6.474 1.00 25.00 C ATOM 127 CG1 ILE A 10 6.865 -14.595 -6.024 1.00 25.00 C ATOM 128 CG2 ILE A 10 9.156 -13.546 -5.861 1.00 25.00 C ATOM 129 CD1 ILE A 10 7.283 -16.007 -6.545 1.00 25.00 C ATOM 0 H ILE A 10 5.929 -11.746 -7.887 1.00 25.00 H new ATOM 0 HA ILE A 10 6.907 -11.941 -5.112 1.00 25.00 H new ATOM 0 HB ILE A 10 7.902 -13.519 -7.554 1.00 25.00 H new ATOM 0 HG12 ILE A 10 6.844 -14.618 -4.934 1.00 25.00 H new ATOM 0 HG13 ILE A 10 5.849 -14.387 -6.358 1.00 25.00 H new ATOM 0 HG21 ILE A 10 9.577 -14.527 -6.082 1.00 25.00 H new ATOM 0 HG22 ILE A 10 9.801 -12.772 -6.278 1.00 25.00 H new ATOM 0 HG23 ILE A 10 9.085 -13.416 -4.781 1.00 25.00 H new ATOM 0 HD11 ILE A 10 6.581 -16.754 -6.175 1.00 25.00 H new ATOM 0 HD12 ILE A 10 7.275 -16.010 -7.635 1.00 25.00 H new ATOM 0 HD13 ILE A 10 8.286 -16.244 -6.189 1.00 25.00 H new ATOM 141 N CYS A 11 8.314 -9.922 -5.815 1.00 25.00 N ATOM 142 CA CYS A 11 9.305 -8.919 -6.120 1.00 25.00 C ATOM 143 C CYS A 11 10.668 -9.655 -5.927 1.00 25.00 C ATOM 144 O CYS A 11 10.931 -10.158 -4.854 1.00 25.00 O ATOM 145 CB CYS A 11 9.167 -7.639 -5.225 1.00 25.00 C ATOM 146 SG CYS A 11 9.342 -7.786 -3.428 1.00 25.00 S ATOM 0 H CYS A 11 7.850 -9.798 -4.915 1.00 25.00 H new ATOM 0 HA CYS A 11 9.195 -8.528 -7.131 1.00 25.00 H new ATOM 0 HB2 CYS A 11 9.910 -6.919 -5.568 1.00 25.00 H new ATOM 0 HB3 CYS A 11 8.187 -7.205 -5.424 1.00 25.00 H new ATOM 151 N SER A 12 11.526 -9.698 -6.968 1.00 25.00 N ATOM 152 CA SER A 12 12.847 -10.392 -6.880 1.00 25.00 C ATOM 153 C SER A 12 13.820 -9.538 -6.071 1.00 25.00 C ATOM 154 O SER A 12 13.663 -8.313 -6.004 1.00 25.00 O ATOM 155 CB SER A 12 13.529 -10.515 -8.280 1.00 25.00 C ATOM 156 OG SER A 12 12.698 -11.094 -9.232 1.00 25.00 O ATOM 0 H SER A 12 11.339 -9.268 -7.874 1.00 25.00 H new ATOM 0 HA SER A 12 12.650 -11.370 -6.440 1.00 25.00 H new ATOM 0 HB2 SER A 12 13.831 -9.525 -8.621 1.00 25.00 H new ATOM 0 HB3 SER A 12 14.437 -11.110 -8.186 1.00 25.00 H new ATOM 0 HG SER A 12 13.170 -11.147 -10.089 1.00 25.00 H new ATOM 162 N LEU A 13 14.909 -10.132 -5.527 1.00 25.00 N ATOM 163 CA LEU A 13 15.868 -9.382 -4.667 1.00 25.00 C ATOM 164 C LEU A 13 16.567 -8.265 -5.413 1.00 25.00 C ATOM 165 O LEU A 13 16.967 -7.289 -4.786 1.00 25.00 O ATOM 166 CB LEU A 13 16.942 -10.325 -4.089 1.00 25.00 C ATOM 167 CG LEU A 13 17.994 -10.958 -5.006 1.00 25.00 C ATOM 168 CD1 LEU A 13 19.466 -10.659 -4.504 1.00 25.00 C ATOM 169 CD2 LEU A 13 17.757 -12.448 -5.014 1.00 25.00 C ATOM 0 H LEU A 13 15.147 -11.114 -5.663 1.00 25.00 H new ATOM 0 HA LEU A 13 15.273 -8.946 -3.864 1.00 25.00 H new ATOM 0 HB2 LEU A 13 17.478 -9.769 -3.320 1.00 25.00 H new ATOM 0 HB3 LEU A 13 16.419 -11.140 -3.588 1.00 25.00 H new ATOM 0 HG LEU A 13 17.900 -10.534 -6.006 1.00 25.00 H new ATOM 0 HD11 LEU A 13 20.183 -11.125 -5.180 1.00 25.00 H new ATOM 0 HD12 LEU A 13 19.632 -9.582 -4.485 1.00 25.00 H new ATOM 0 HD13 LEU A 13 19.598 -11.064 -3.501 1.00 25.00 H new ATOM 0 HD21 LEU A 13 18.491 -12.930 -5.659 1.00 25.00 H new ATOM 0 HD22 LEU A 13 17.854 -12.837 -4.000 1.00 25.00 H new ATOM 0 HD23 LEU A 13 16.754 -12.655 -5.388 1.00 25.00 H new ATOM 181 N TYR A 14 16.694 -8.373 -6.738 1.00 25.00 N ATOM 182 CA TYR A 14 17.281 -7.338 -7.570 1.00 25.00 C ATOM 183 C TYR A 14 16.461 -6.071 -7.514 1.00 25.00 C ATOM 184 O TYR A 14 16.982 -4.992 -7.311 1.00 25.00 O ATOM 185 CB TYR A 14 17.340 -7.840 -9.012 1.00 25.00 C ATOM 186 CG TYR A 14 17.935 -6.837 -10.007 1.00 25.00 C ATOM 187 CD1 TYR A 14 19.323 -6.815 -10.274 1.00 25.00 C ATOM 188 CD2 TYR A 14 17.108 -5.939 -10.690 1.00 25.00 C ATOM 189 CE1 TYR A 14 19.863 -5.883 -11.222 1.00 25.00 C ATOM 190 CE2 TYR A 14 17.660 -5.024 -11.640 1.00 25.00 C ATOM 191 CZ TYR A 14 19.019 -5.021 -11.886 1.00 25.00 C ATOM 192 OH TYR A 14 19.554 -4.146 -12.804 1.00 25.00 O ATOM 0 H TYR A 14 16.387 -9.193 -7.262 1.00 25.00 H new ATOM 0 HA TYR A 14 18.283 -7.115 -7.202 1.00 25.00 H new ATOM 0 HB2 TYR A 14 17.930 -8.756 -9.041 1.00 25.00 H new ATOM 0 HB3 TYR A 14 16.332 -8.100 -9.335 1.00 25.00 H new ATOM 0 HD1 TYR A 14 19.980 -7.503 -9.762 1.00 25.00 H new ATOM 0 HD2 TYR A 14 16.045 -5.937 -10.498 1.00 25.00 H new ATOM 0 HE1 TYR A 14 20.926 -5.858 -11.414 1.00 25.00 H new ATOM 0 HE2 TYR A 14 17.014 -4.335 -12.165 1.00 25.00 H new ATOM 0 HH TYR A 14 18.838 -3.602 -13.193 1.00 25.00 H new ATOM 202 N GLN A 15 15.158 -6.244 -7.550 1.00 25.00 N ATOM 203 CA GLN A 15 14.275 -5.109 -7.439 1.00 25.00 C ATOM 204 C GLN A 15 14.232 -4.652 -5.963 1.00 25.00 C ATOM 205 O GLN A 15 14.110 -3.498 -5.677 1.00 25.00 O ATOM 206 CB GLN A 15 12.830 -5.452 -7.936 1.00 25.00 C ATOM 207 CG GLN A 15 11.897 -4.206 -8.062 1.00 25.00 C ATOM 208 CD GLN A 15 12.228 -3.314 -9.217 1.00 25.00 C ATOM 209 OE1 GLN A 15 12.034 -3.669 -10.370 1.00 25.00 O ATOM 210 NE2 GLN A 15 12.725 -2.129 -8.933 1.00 25.00 N ATOM 0 H GLN A 15 14.694 -7.146 -7.654 1.00 25.00 H new ATOM 0 HA GLN A 15 14.657 -4.308 -8.072 1.00 25.00 H new ATOM 0 HB2 GLN A 15 12.896 -5.945 -8.906 1.00 25.00 H new ATOM 0 HB3 GLN A 15 12.378 -6.165 -7.247 1.00 25.00 H new ATOM 0 HG2 GLN A 15 10.866 -4.545 -8.162 1.00 25.00 H new ATOM 0 HG3 GLN A 15 11.954 -3.627 -7.140 1.00 25.00 H new ATOM 0 HE21 GLN A 15 12.876 -1.859 -7.961 1.00 25.00 H new ATOM 0 HE22 GLN A 15 12.959 -1.480 -9.685 1.00 25.00 H new ATOM 219 N LEU A 16 14.301 -5.609 -5.044 1.00 25.00 N ATOM 220 CA LEU A 16 14.184 -5.335 -3.608 1.00 25.00 C ATOM 221 C LEU A 16 15.287 -4.364 -3.171 1.00 25.00 C ATOM 222 O LEU A 16 15.026 -3.422 -2.442 1.00 25.00 O ATOM 223 CB LEU A 16 14.242 -6.565 -2.728 1.00 25.00 C ATOM 224 CG LEU A 16 14.032 -6.326 -1.197 1.00 25.00 C ATOM 225 CD1 LEU A 16 12.616 -5.852 -0.801 1.00 25.00 C ATOM 226 CD2 LEU A 16 14.376 -7.583 -0.401 1.00 25.00 C ATOM 0 H LEU A 16 14.439 -6.595 -5.268 1.00 25.00 H new ATOM 0 HA LEU A 16 13.193 -4.902 -3.475 1.00 25.00 H new ATOM 0 HB2 LEU A 16 13.485 -7.269 -3.072 1.00 25.00 H new ATOM 0 HB3 LEU A 16 15.211 -7.044 -2.871 1.00 25.00 H new ATOM 0 HG LEU A 16 14.711 -5.510 -0.951 1.00 25.00 H new ATOM 0 HD11 LEU A 16 12.567 -5.714 0.279 1.00 25.00 H new ATOM 0 HD12 LEU A 16 12.396 -4.907 -1.298 1.00 25.00 H new ATOM 0 HD13 LEU A 16 11.884 -6.600 -1.104 1.00 25.00 H new ATOM 0 HD21 LEU A 16 14.223 -7.394 0.662 1.00 25.00 H new ATOM 0 HD22 LEU A 16 13.733 -8.403 -0.720 1.00 25.00 H new ATOM 0 HD23 LEU A 16 15.418 -7.850 -0.575 1.00 25.00 H new ATOM 238 N GLU A 17 16.497 -4.519 -3.665 1.00 25.00 N ATOM 239 CA GLU A 17 17.571 -3.559 -3.390 1.00 25.00 C ATOM 240 C GLU A 17 17.216 -2.128 -3.755 1.00 25.00 C ATOM 241 O GLU A 17 17.720 -1.200 -3.149 1.00 25.00 O ATOM 242 CB GLU A 17 18.812 -3.961 -4.122 1.00 25.00 C ATOM 243 CG GLU A 17 19.503 -5.116 -3.475 1.00 25.00 C ATOM 244 CD GLU A 17 20.881 -5.335 -4.034 1.00 25.00 C ATOM 245 OE1 GLU A 17 21.073 -5.837 -5.073 1.00 25.00 O ATOM 246 OE2 GLU A 17 21.804 -4.995 -3.242 1.00 25.00 O ATOM 0 H GLU A 17 16.772 -5.299 -4.262 1.00 25.00 H new ATOM 0 HA GLU A 17 17.731 -3.581 -2.312 1.00 25.00 H new ATOM 0 HB2 GLU A 17 18.557 -4.222 -5.149 1.00 25.00 H new ATOM 0 HB3 GLU A 17 19.494 -3.112 -4.169 1.00 25.00 H new ATOM 0 HG2 GLU A 17 19.571 -4.942 -2.401 1.00 25.00 H new ATOM 0 HG3 GLU A 17 18.908 -6.018 -3.614 1.00 25.00 H new ATOM 254 N ASN A 18 16.350 -1.902 -4.742 1.00 25.00 N ATOM 255 CA ASN A 18 16.063 -0.558 -5.149 1.00 25.00 C ATOM 256 C ASN A 18 15.238 0.139 -4.078 1.00 25.00 C ATOM 257 O ASN A 18 15.216 1.343 -3.990 1.00 25.00 O ATOM 258 CB ASN A 18 15.333 -0.560 -6.497 1.00 25.00 C ATOM 259 CG ASN A 18 15.795 0.596 -7.406 1.00 25.00 C ATOM 260 OD1 ASN A 18 15.793 1.759 -7.009 1.00 25.00 O ATOM 261 ND2 ASN A 18 16.181 0.283 -8.619 1.00 25.00 N ATOM 0 H ASN A 18 15.851 -2.628 -5.257 1.00 25.00 H new ATOM 0 HA ASN A 18 16.997 -0.009 -5.273 1.00 25.00 H new ATOM 0 HB2 ASN A 18 15.507 -1.510 -7.002 1.00 25.00 H new ATOM 0 HB3 ASN A 18 14.259 -0.481 -6.328 1.00 25.00 H new ATOM 0 HD21 ASN A 18 16.490 1.013 -9.260 1.00 25.00 H new ATOM 0 HD22 ASN A 18 16.172 -0.691 -8.922 1.00 25.00 H new ATOM 268 N TYR A 19 14.593 -0.629 -3.208 1.00 25.00 N ATOM 269 CA TYR A 19 13.881 -0.074 -2.040 1.00 25.00 C ATOM 270 C TYR A 19 14.824 0.426 -0.989 1.00 25.00 C ATOM 271 O TYR A 19 14.445 1.224 -0.139 1.00 25.00 O ATOM 272 CB TYR A 19 12.989 -1.116 -1.405 1.00 25.00 C ATOM 273 CG TYR A 19 11.804 -1.524 -2.284 1.00 25.00 C ATOM 274 CD1 TYR A 19 11.934 -2.486 -3.303 1.00 25.00 C ATOM 275 CD2 TYR A 19 10.559 -0.858 -2.146 1.00 25.00 C ATOM 276 CE1 TYR A 19 10.803 -2.889 -4.089 1.00 25.00 C ATOM 277 CE2 TYR A 19 9.428 -1.254 -2.953 1.00 25.00 C ATOM 278 CZ TYR A 19 9.589 -2.271 -3.901 1.00 25.00 C ATOM 279 OH TYR A 19 8.534 -2.624 -4.637 1.00 25.00 O ATOM 0 H TYR A 19 14.543 -1.645 -3.282 1.00 25.00 H new ATOM 0 HA TYR A 19 13.287 0.759 -2.416 1.00 25.00 H new ATOM 0 HB2 TYR A 19 13.583 -2.001 -1.177 1.00 25.00 H new ATOM 0 HB3 TYR A 19 12.612 -0.731 -0.457 1.00 25.00 H new ATOM 0 HD1 TYR A 19 12.900 -2.928 -3.497 1.00 25.00 H new ATOM 0 HD2 TYR A 19 10.456 -0.052 -1.435 1.00 25.00 H new ATOM 0 HE1 TYR A 19 10.905 -3.673 -4.824 1.00 25.00 H new ATOM 0 HE2 TYR A 19 8.470 -0.771 -2.826 1.00 25.00 H new ATOM 0 HH TYR A 19 7.757 -2.088 -4.373 1.00 25.00 H new ATOM 289 N CYS A 20 16.037 -0.111 -1.004 1.00 25.00 N ATOM 290 CA CYS A 20 17.060 0.352 -0.064 1.00 25.00 C ATOM 291 C CYS A 20 17.543 1.710 -0.577 1.00 25.00 C ATOM 292 O CYS A 20 17.816 2.619 0.228 1.00 25.00 O ATOM 293 CB CYS A 20 18.288 -0.597 -0.017 1.00 25.00 C ATOM 294 SG CYS A 20 19.215 -0.494 1.564 1.00 25.00 S ATOM 0 H CYS A 20 16.336 -0.851 -1.639 1.00 25.00 H new ATOM 0 HA CYS A 20 16.629 0.394 0.936 1.00 25.00 H new ATOM 0 HB2 CYS A 20 17.953 -1.623 -0.169 1.00 25.00 H new ATOM 0 HB3 CYS A 20 18.959 -0.355 -0.841 1.00 25.00 H new ATOM 299 N ASN A 21 17.609 1.864 -1.890 1.00 25.00 N ATOM 300 CA ASN A 21 17.928 3.165 -2.523 1.00 25.00 C ATOM 301 C ASN A 21 16.778 4.176 -2.271 1.00 25.00 C ATOM 302 O ASN A 21 16.958 5.326 -1.924 1.00 25.00 O ATOM 303 CB ASN A 21 18.207 3.018 -4.031 1.00 25.00 C ATOM 304 CG ASN A 21 18.502 4.394 -4.587 1.00 25.00 C ATOM 305 OD1 ASN A 21 19.507 4.998 -4.272 1.00 25.00 O ATOM 306 ND2 ASN A 21 17.616 4.895 -5.420 1.00 25.00 N ATOM 307 OXT ASN A 21 15.596 3.734 -2.557 1.00 25.00 O ATOM 0 H ASN A 21 17.447 1.108 -2.555 1.00 25.00 H new ATOM 0 HA ASN A 21 18.841 3.544 -2.065 1.00 25.00 H new ATOM 0 HB2 ASN A 21 19.052 2.350 -4.199 1.00 25.00 H new ATOM 0 HB3 ASN A 21 17.347 2.579 -4.537 1.00 25.00 H new ATOM 0 HD21 ASN A 21 17.762 5.820 -5.824 1.00 25.00 H new ATOM 0 HD22 ASN A 21 16.783 4.358 -5.662 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 31 20.099 -14.342 -2.426 1.00 25.00 N ATOM 317 CA PHE B 31 19.332 -15.315 -1.572 1.00 25.00 C ATOM 318 C PHE B 31 18.183 -15.987 -2.277 1.00 25.00 C ATOM 319 O PHE B 31 18.000 -15.824 -3.460 1.00 25.00 O ATOM 320 CB PHE B 31 18.962 -14.651 -0.198 1.00 25.00 C ATOM 321 CG PHE B 31 17.805 -13.667 -0.319 1.00 25.00 C ATOM 322 CD1 PHE B 31 18.032 -12.307 -0.679 1.00 25.00 C ATOM 323 CD2 PHE B 31 16.529 -14.116 -0.049 1.00 25.00 C ATOM 324 CE1 PHE B 31 16.936 -11.465 -0.751 1.00 25.00 C ATOM 325 CE2 PHE B 31 15.440 -13.282 -0.158 1.00 25.00 C ATOM 326 CZ PHE B 31 15.650 -11.938 -0.491 1.00 25.00 C ATOM 0 HA PHE B 31 19.991 -16.156 -1.355 1.00 25.00 H new ATOM 0 HB2 PHE B 31 18.700 -15.429 0.519 1.00 25.00 H new ATOM 0 HB3 PHE B 31 19.835 -14.133 0.199 1.00 25.00 H new ATOM 0 HD1 PHE B 31 19.028 -11.945 -0.889 1.00 25.00 H new ATOM 0 HD2 PHE B 31 16.382 -15.142 0.254 1.00 25.00 H new ATOM 0 HE1 PHE B 31 17.079 -10.427 -1.012 1.00 25.00 H new ATOM 0 HE2 PHE B 31 14.441 -13.657 0.010 1.00 25.00 H new ATOM 0 HZ PHE B 31 14.809 -11.262 -0.547 1.00 25.00 H new ATOM 337 N VAL B 32 17.398 -16.796 -1.622 1.00 25.00 N ATOM 338 CA VAL B 32 16.292 -17.510 -2.285 1.00 25.00 C ATOM 339 C VAL B 32 15.074 -16.623 -2.574 1.00 25.00 C ATOM 340 O VAL B 32 14.575 -15.889 -1.675 1.00 25.00 O ATOM 341 CB VAL B 32 15.873 -18.701 -1.385 1.00 25.00 C ATOM 342 CG1 VAL B 32 16.885 -19.839 -1.541 1.00 25.00 C ATOM 343 CG2 VAL B 32 15.802 -18.267 0.142 1.00 25.00 C ATOM 0 H VAL B 32 17.487 -16.992 -0.625 1.00 25.00 H new ATOM 0 HA VAL B 32 16.654 -17.849 -3.256 1.00 25.00 H new ATOM 0 HB VAL B 32 14.883 -19.034 -1.696 1.00 25.00 H new ATOM 0 HG11 VAL B 32 16.591 -20.677 -0.908 1.00 25.00 H new ATOM 0 HG12 VAL B 32 16.912 -20.162 -2.582 1.00 25.00 H new ATOM 0 HG13 VAL B 32 17.874 -19.490 -1.244 1.00 25.00 H new ATOM 0 HG21 VAL B 32 15.506 -19.122 0.750 1.00 25.00 H new ATOM 0 HG22 VAL B 32 16.781 -17.913 0.466 1.00 25.00 H new ATOM 0 HG23 VAL B 32 15.070 -17.468 0.259 1.00 25.00 H new ATOM 353 N ASN B 33 14.563 -16.698 -3.799 1.00 25.00 N ATOM 354 CA ASN B 33 13.421 -15.834 -4.159 1.00 25.00 C ATOM 355 C ASN B 33 12.104 -16.461 -3.669 1.00 25.00 C ATOM 356 O ASN B 33 11.863 -17.615 -3.873 1.00 25.00 O ATOM 357 CB ASN B 33 13.361 -15.647 -5.670 1.00 25.00 C ATOM 358 CG ASN B 33 14.344 -14.597 -6.126 1.00 25.00 C ATOM 359 OD1 ASN B 33 14.152 -13.412 -5.931 1.00 25.00 O ATOM 360 ND2 ASN B 33 15.401 -15.017 -6.712 1.00 25.00 N ATOM 0 H ASN B 33 14.897 -17.317 -4.538 1.00 25.00 H new ATOM 0 HA ASN B 33 13.557 -14.864 -3.680 1.00 25.00 H new ATOM 0 HB2 ASN B 33 13.578 -16.593 -6.166 1.00 25.00 H new ATOM 0 HB3 ASN B 33 12.352 -15.358 -5.964 1.00 25.00 H new ATOM 0 HD21 ASN B 33 16.107 -14.352 -7.028 1.00 25.00 H new ATOM 0 HD22 ASN B 33 15.537 -16.016 -6.863 1.00 25.00 H new ATOM 367 N GLN B 34 11.280 -15.641 -2.996 1.00 25.00 N ATOM 368 CA GLN B 34 10.020 -16.136 -2.440 1.00 25.00 C ATOM 369 C GLN B 34 9.134 -14.931 -2.190 1.00 25.00 C ATOM 370 O GLN B 34 9.577 -13.791 -2.288 1.00 25.00 O ATOM 371 CB GLN B 34 10.305 -16.873 -1.114 1.00 25.00 C ATOM 372 CG GLN B 34 10.896 -15.950 -0.030 1.00 25.00 C ATOM 373 CD GLN B 34 11.313 -16.703 1.250 1.00 25.00 C ATOM 374 OE1 GLN B 34 12.428 -17.192 1.395 1.00 25.00 O ATOM 375 NE2 GLN B 34 10.428 -16.708 2.250 1.00 25.00 N ATOM 0 H GLN B 34 11.463 -14.652 -2.828 1.00 25.00 H new ATOM 0 HA GLN B 34 9.531 -16.831 -3.123 1.00 25.00 H new ATOM 0 HB2 GLN B 34 9.380 -17.314 -0.743 1.00 25.00 H new ATOM 0 HB3 GLN B 34 10.997 -17.694 -1.302 1.00 25.00 H new ATOM 0 HG2 GLN B 34 11.764 -15.432 -0.438 1.00 25.00 H new ATOM 0 HG3 GLN B 34 10.161 -15.187 0.228 1.00 25.00 H new ATOM 0 HE21 GLN B 34 9.504 -16.298 2.115 1.00 25.00 H new ATOM 0 HE22 GLN B 34 10.676 -17.122 3.149 1.00 25.00 H new ATOM 384 N HIS B 35 7.831 -15.146 -1.934 1.00 25.00 N ATOM 385 CA HIS B 35 6.921 -14.007 -1.658 1.00 25.00 C ATOM 386 C HIS B 35 7.390 -13.198 -0.435 1.00 25.00 C ATOM 387 O HIS B 35 7.789 -13.805 0.541 1.00 25.00 O ATOM 388 CB HIS B 35 5.527 -14.559 -1.331 1.00 25.00 C ATOM 389 CG HIS B 35 4.895 -15.250 -2.491 1.00 25.00 C ATOM 390 ND1 HIS B 35 4.433 -14.581 -3.623 1.00 25.00 N ATOM 391 CD2 HIS B 35 4.670 -16.568 -2.730 1.00 25.00 C ATOM 392 CE1 HIS B 35 3.963 -15.491 -4.491 1.00 25.00 C ATOM 393 NE2 HIS B 35 4.093 -16.666 -3.965 1.00 25.00 N ATOM 0 H HIS B 35 7.390 -16.065 -1.911 1.00 25.00 H new ATOM 0 HA HIS B 35 6.911 -13.363 -2.537 1.00 25.00 H new ATOM 0 HB2 HIS B 35 5.603 -15.255 -0.496 1.00 25.00 H new ATOM 0 HB3 HIS B 35 4.884 -13.741 -1.006 1.00 25.00 H new ATOM 0 HD1 HIS B 35 4.449 -13.571 -3.767 1.00 25.00 H new ATOM 0 HD2 HIS B 35 4.904 -17.387 -2.066 1.00 25.00 H new ATOM 0 HE1 HIS B 35 3.547 -15.278 -5.464 1.00 25.00 H new ATOM 402 N LEU B 36 7.272 -11.891 -0.471 1.00 25.00 N ATOM 403 CA LEU B 36 7.670 -11.052 0.639 1.00 25.00 C ATOM 404 C LEU B 36 6.534 -10.140 1.158 1.00 25.00 C ATOM 405 O LEU B 36 6.246 -9.102 0.661 1.00 25.00 O ATOM 406 CB LEU B 36 8.887 -10.180 0.255 1.00 25.00 C ATOM 407 CG LEU B 36 10.159 -10.907 -0.186 1.00 25.00 C ATOM 408 CD1 LEU B 36 11.206 -9.908 -0.743 1.00 25.00 C ATOM 409 CD2 LEU B 36 10.842 -11.726 0.989 1.00 25.00 C ATOM 0 H LEU B 36 6.898 -11.378 -1.269 1.00 25.00 H new ATOM 0 HA LEU B 36 7.934 -11.734 1.447 1.00 25.00 H new ATOM 0 HB2 LEU B 36 8.583 -9.513 -0.551 1.00 25.00 H new ATOM 0 HB3 LEU B 36 9.136 -9.553 1.111 1.00 25.00 H new ATOM 0 HG LEU B 36 9.842 -11.605 -0.961 1.00 25.00 H new ATOM 0 HD11 LEU B 36 12.100 -10.451 -1.049 1.00 25.00 H new ATOM 0 HD12 LEU B 36 10.788 -9.384 -1.602 1.00 25.00 H new ATOM 0 HD13 LEU B 36 11.467 -9.186 0.030 1.00 25.00 H new ATOM 0 HD21 LEU B 36 11.739 -12.220 0.615 1.00 25.00 H new ATOM 0 HD22 LEU B 36 11.112 -11.046 1.797 1.00 25.00 H new ATOM 0 HD23 LEU B 36 10.145 -12.476 1.363 1.00 25.00 H new ATOM 421 N CYS B 37 5.905 -10.598 2.224 1.00 25.00 N ATOM 422 CA CYS B 37 4.872 -9.804 2.945 1.00 25.00 C ATOM 423 C CYS B 37 5.258 -9.729 4.466 1.00 25.00 C ATOM 424 O CYS B 37 6.436 -9.712 4.799 1.00 25.00 O ATOM 425 CB CYS B 37 3.444 -10.411 2.782 1.00 25.00 C ATOM 426 SG CYS B 37 2.052 -9.177 2.911 1.00 25.00 S ATOM 0 H CYS B 37 6.078 -11.519 2.628 1.00 25.00 H new ATOM 0 HA CYS B 37 4.844 -8.804 2.511 1.00 25.00 H new ATOM 0 HB2 CYS B 37 3.383 -10.906 1.813 1.00 25.00 H new ATOM 0 HB3 CYS B 37 3.302 -11.179 3.542 1.00 25.00 H new ATOM 431 N GLY B 38 4.267 -9.712 5.352 1.00 25.00 N ATOM 432 CA GLY B 38 4.460 -9.684 6.825 1.00 25.00 C ATOM 433 C GLY B 38 5.721 -10.330 7.379 1.00 25.00 C ATOM 434 O GLY B 38 5.994 -11.519 7.077 1.00 25.00 O ATOM 0 H GLY B 38 3.285 -9.717 5.077 1.00 25.00 H new ATOM 0 HA2 GLY B 38 4.446 -8.643 7.147 1.00 25.00 H new ATOM 0 HA3 GLY B 38 3.601 -10.172 7.286 1.00 25.00 H new ATOM 438 N SER B 39 6.486 -9.523 8.121 1.00 25.00 N ATOM 439 CA SER B 39 7.782 -9.903 8.723 1.00 25.00 C ATOM 440 C SER B 39 8.899 -10.249 7.724 1.00 25.00 C ATOM 441 O SER B 39 9.981 -9.675 7.792 1.00 25.00 O ATOM 442 CB SER B 39 7.633 -10.997 9.744 1.00 25.00 C ATOM 443 OG SER B 39 6.810 -10.535 10.756 1.00 25.00 O ATOM 0 H SER B 39 6.220 -8.561 8.329 1.00 25.00 H new ATOM 0 HA SER B 39 8.109 -8.989 9.219 1.00 25.00 H new ATOM 0 HB2 SER B 39 7.207 -11.889 9.285 1.00 25.00 H new ATOM 0 HB3 SER B 39 8.607 -11.278 10.145 1.00 25.00 H new ATOM 0 HG SER B 39 6.698 -11.235 11.432 1.00 25.00 H new ATOM 449 N HIS B 40 8.650 -11.143 6.774 1.00 25.00 N ATOM 450 CA HIS B 40 9.668 -11.551 5.760 1.00 25.00 C ATOM 451 C HIS B 40 10.168 -10.416 4.903 1.00 25.00 C ATOM 452 O HIS B 40 11.319 -10.360 4.568 1.00 25.00 O ATOM 453 CB HIS B 40 9.061 -12.599 4.824 1.00 25.00 C ATOM 454 CG HIS B 40 8.898 -13.958 5.427 1.00 25.00 C ATOM 455 ND1 HIS B 40 8.012 -14.916 4.929 1.00 25.00 N ATOM 456 CD2 HIS B 40 9.476 -14.584 6.502 1.00 25.00 C ATOM 457 CE1 HIS B 40 8.112 -16.033 5.644 1.00 25.00 C ATOM 458 NE2 HIS B 40 8.984 -15.841 6.607 1.00 25.00 N ATOM 0 H HIS B 40 7.751 -11.613 6.668 1.00 25.00 H new ATOM 0 HA HIS B 40 10.514 -11.938 6.328 1.00 25.00 H new ATOM 0 HB2 HIS B 40 8.086 -12.246 4.490 1.00 25.00 H new ATOM 0 HB3 HIS B 40 9.691 -12.683 3.938 1.00 25.00 H new ATOM 0 HD2 HIS B 40 10.209 -14.143 7.161 1.00 25.00 H new ATOM 0 HE1 HIS B 40 7.566 -16.947 5.463 1.00 25.00 H new ATOM 0 HE2 HIS B 40 9.247 -16.525 7.316 1.00 25.00 H new ATOM 467 N LEU B 41 9.275 -9.532 4.514 1.00 25.00 N ATOM 468 CA LEU B 41 9.631 -8.382 3.711 1.00 25.00 C ATOM 469 C LEU B 41 10.632 -7.438 4.424 1.00 25.00 C ATOM 470 O LEU B 41 11.687 -7.153 3.871 1.00 25.00 O ATOM 471 CB LEU B 41 8.344 -7.590 3.334 1.00 25.00 C ATOM 472 CG LEU B 41 8.549 -6.264 2.566 1.00 25.00 C ATOM 473 CD1 LEU B 41 9.202 -6.481 1.225 1.00 25.00 C ATOM 474 CD2 LEU B 41 7.185 -5.636 2.399 1.00 25.00 C ATOM 0 H LEU B 41 8.283 -9.590 4.745 1.00 25.00 H new ATOM 0 HA LEU B 41 10.125 -8.757 2.815 1.00 25.00 H new ATOM 0 HB2 LEU B 41 7.709 -8.239 2.731 1.00 25.00 H new ATOM 0 HB3 LEU B 41 7.797 -7.372 4.251 1.00 25.00 H new ATOM 0 HG LEU B 41 9.219 -5.612 3.126 1.00 25.00 H new ATOM 0 HD11 LEU B 41 9.326 -5.522 0.721 1.00 25.00 H new ATOM 0 HD12 LEU B 41 10.178 -6.946 1.366 1.00 25.00 H new ATOM 0 HD13 LEU B 41 8.575 -7.132 0.616 1.00 25.00 H new ATOM 0 HD21 LEU B 41 7.282 -4.694 1.860 1.00 25.00 H new ATOM 0 HD22 LEU B 41 6.540 -6.311 1.837 1.00 25.00 H new ATOM 0 HD23 LEU B 41 6.748 -5.449 3.380 1.00 25.00 H new ATOM 486 N VAL B 42 10.298 -6.989 5.636 1.00 25.00 N ATOM 487 CA VAL B 42 11.174 -6.087 6.349 1.00 25.00 C ATOM 488 C VAL B 42 12.479 -6.800 6.632 1.00 25.00 C ATOM 489 O VAL B 42 13.539 -6.230 6.547 1.00 25.00 O ATOM 490 CB VAL B 42 10.475 -5.495 7.707 1.00 25.00 C ATOM 491 CG1 VAL B 42 10.292 -6.540 8.805 1.00 25.00 C ATOM 492 CG2 VAL B 42 11.266 -4.274 8.240 1.00 25.00 C ATOM 0 H VAL B 42 9.440 -7.236 6.129 1.00 25.00 H new ATOM 0 HA VAL B 42 11.377 -5.215 5.728 1.00 25.00 H new ATOM 0 HB VAL B 42 9.472 -5.179 7.420 1.00 25.00 H new ATOM 0 HG11 VAL B 42 9.824 -6.077 9.674 1.00 25.00 H new ATOM 0 HG12 VAL B 42 9.658 -7.347 8.438 1.00 25.00 H new ATOM 0 HG13 VAL B 42 11.264 -6.944 9.089 1.00 25.00 H new ATOM 0 HG21 VAL B 42 10.786 -3.895 9.142 1.00 25.00 H new ATOM 0 HG22 VAL B 42 12.288 -4.575 8.472 1.00 25.00 H new ATOM 0 HG23 VAL B 42 11.282 -3.491 7.481 1.00 25.00 H new ATOM 502 N GLU B 43 12.396 -8.088 6.948 1.00 25.00 N ATOM 503 CA GLU B 43 13.572 -8.889 7.244 1.00 25.00 C ATOM 504 C GLU B 43 14.462 -9.051 6.024 1.00 25.00 C ATOM 505 O GLU B 43 15.652 -8.872 6.128 1.00 25.00 O ATOM 506 CB GLU B 43 13.140 -10.246 7.845 1.00 25.00 C ATOM 507 CG GLU B 43 14.283 -11.015 8.539 1.00 25.00 C ATOM 508 CD GLU B 43 13.782 -12.175 9.334 1.00 25.00 C ATOM 509 OE1 GLU B 43 14.033 -12.339 10.503 1.00 25.00 O ATOM 510 OE2 GLU B 43 13.010 -12.968 8.703 1.00 25.00 O ATOM 0 H GLU B 43 11.516 -8.601 7.005 1.00 25.00 H new ATOM 0 HA GLU B 43 14.176 -8.368 7.987 1.00 25.00 H new ATOM 0 HB2 GLU B 43 12.340 -10.075 8.566 1.00 25.00 H new ATOM 0 HB3 GLU B 43 12.726 -10.868 7.052 1.00 25.00 H new ATOM 0 HG2 GLU B 43 14.989 -11.370 7.788 1.00 25.00 H new ATOM 0 HG3 GLU B 43 14.829 -10.337 9.194 1.00 25.00 H new ATOM 518 N ALA B 44 13.921 -9.376 4.845 1.00 25.00 N ATOM 519 CA ALA B 44 14.754 -9.526 3.670 1.00 25.00 C ATOM 520 C ALA B 44 15.352 -8.143 3.317 1.00 25.00 C ATOM 521 O ALA B 44 16.521 -8.068 3.082 1.00 25.00 O ATOM 522 CB ALA B 44 13.980 -10.079 2.532 1.00 25.00 C ATOM 0 H ALA B 44 12.926 -9.536 4.690 1.00 25.00 H new ATOM 0 HA ALA B 44 15.558 -10.232 3.878 1.00 25.00 H new ATOM 0 HB1 ALA B 44 14.631 -10.180 1.664 1.00 25.00 H new ATOM 0 HB2 ALA B 44 13.582 -11.057 2.803 1.00 25.00 H new ATOM 0 HB3 ALA B 44 13.157 -9.407 2.291 1.00 25.00 H new ATOM 528 N LEU B 45 14.561 -7.091 3.381 1.00 25.00 N ATOM 529 CA LEU B 45 15.022 -5.712 3.120 1.00 25.00 C ATOM 530 C LEU B 45 16.187 -5.373 4.027 1.00 25.00 C ATOM 531 O LEU B 45 17.163 -4.858 3.596 1.00 25.00 O ATOM 532 CB LEU B 45 13.880 -4.724 3.362 1.00 25.00 C ATOM 533 CG LEU B 45 14.064 -3.289 2.833 1.00 25.00 C ATOM 534 CD1 LEU B 45 14.122 -3.132 1.372 1.00 25.00 C ATOM 535 CD2 LEU B 45 12.916 -2.383 3.413 1.00 25.00 C ATOM 0 H LEU B 45 13.570 -7.153 3.616 1.00 25.00 H new ATOM 0 HA LEU B 45 15.344 -5.641 2.081 1.00 25.00 H new ATOM 0 HB2 LEU B 45 12.976 -5.136 2.913 1.00 25.00 H new ATOM 0 HB3 LEU B 45 13.705 -4.668 4.436 1.00 25.00 H new ATOM 0 HG LEU B 45 15.053 -2.985 3.177 1.00 25.00 H new ATOM 0 HD11 LEU B 45 14.253 -2.079 1.124 1.00 25.00 H new ATOM 0 HD12 LEU B 45 14.961 -3.705 0.978 1.00 25.00 H new ATOM 0 HD13 LEU B 45 13.195 -3.496 0.930 1.00 25.00 H new ATOM 0 HD21 LEU B 45 13.036 -1.364 3.045 1.00 25.00 H new ATOM 0 HD22 LEU B 45 11.949 -2.772 3.094 1.00 25.00 H new ATOM 0 HD23 LEU B 45 12.967 -2.384 4.502 1.00 25.00 H new ATOM 547 N TYR B 46 16.085 -5.692 5.303 1.00 25.00 N ATOM 548 CA TYR B 46 17.193 -5.424 6.234 1.00 25.00 C ATOM 549 C TYR B 46 18.426 -6.214 5.841 1.00 25.00 C ATOM 550 O TYR B 46 19.521 -5.655 5.793 1.00 25.00 O ATOM 551 CB TYR B 46 16.749 -5.740 7.668 1.00 25.00 C ATOM 552 CG TYR B 46 17.930 -5.898 8.591 1.00 25.00 C ATOM 553 CD1 TYR B 46 18.641 -4.752 9.081 1.00 25.00 C ATOM 554 CD2 TYR B 46 18.410 -7.178 8.934 1.00 25.00 C ATOM 555 CE1 TYR B 46 19.768 -4.874 9.918 1.00 25.00 C ATOM 556 CE2 TYR B 46 19.580 -7.318 9.715 1.00 25.00 C ATOM 557 CZ TYR B 46 20.246 -6.157 10.218 1.00 25.00 C ATOM 558 OH TYR B 46 21.359 -6.250 10.973 1.00 25.00 O ATOM 0 H TYR B 46 15.266 -6.130 5.725 1.00 25.00 H new ATOM 0 HA TYR B 46 17.459 -4.368 6.184 1.00 25.00 H new ATOM 0 HB2 TYR B 46 16.104 -4.941 8.034 1.00 25.00 H new ATOM 0 HB3 TYR B 46 16.157 -6.655 7.673 1.00 25.00 H new ATOM 0 HD1 TYR B 46 18.302 -3.766 8.800 1.00 25.00 H new ATOM 0 HD2 TYR B 46 17.881 -8.057 8.598 1.00 25.00 H new ATOM 0 HE1 TYR B 46 20.253 -3.997 10.320 1.00 25.00 H new ATOM 0 HE2 TYR B 46 19.971 -8.301 9.932 1.00 25.00 H new ATOM 0 HH TYR B 46 21.584 -7.194 11.109 1.00 25.00 H new ATOM 568 N LEU B 47 18.218 -7.475 5.526 1.00 25.00 N ATOM 569 CA LEU B 47 19.311 -8.322 5.108 1.00 25.00 C ATOM 570 C LEU B 47 20.012 -7.892 3.777 1.00 25.00 C ATOM 571 O LEU B 47 21.192 -7.993 3.659 1.00 25.00 O ATOM 572 CB LEU B 47 18.846 -9.793 4.972 1.00 25.00 C ATOM 573 CG LEU B 47 18.562 -10.552 6.272 1.00 25.00 C ATOM 574 CD1 LEU B 47 17.953 -11.865 5.985 1.00 25.00 C ATOM 575 CD2 LEU B 47 19.904 -10.709 7.067 1.00 25.00 C ATOM 0 H LEU B 47 17.307 -7.933 5.552 1.00 25.00 H new ATOM 0 HA LEU B 47 20.053 -8.214 5.899 1.00 25.00 H new ATOM 0 HB2 LEU B 47 17.941 -9.808 4.365 1.00 25.00 H new ATOM 0 HB3 LEU B 47 19.609 -10.341 4.419 1.00 25.00 H new ATOM 0 HG LEU B 47 17.850 -9.992 6.879 1.00 25.00 H new ATOM 0 HD11 LEU B 47 17.759 -12.389 6.921 1.00 25.00 H new ATOM 0 HD12 LEU B 47 17.015 -11.722 5.448 1.00 25.00 H new ATOM 0 HD13 LEU B 47 18.634 -12.456 5.373 1.00 25.00 H new ATOM 0 HD21 LEU B 47 19.716 -11.248 7.996 1.00 25.00 H new ATOM 0 HD22 LEU B 47 20.621 -11.265 6.464 1.00 25.00 H new ATOM 0 HD23 LEU B 47 20.309 -9.723 7.296 1.00 25.00 H new ATOM 587 N VAL B 48 19.284 -7.324 2.800 1.00 25.00 N ATOM 588 CA VAL B 48 19.909 -6.796 1.610 1.00 25.00 C ATOM 589 C VAL B 48 20.536 -5.411 1.793 1.00 25.00 C ATOM 590 O VAL B 48 21.412 -5.021 1.044 1.00 25.00 O ATOM 591 CB VAL B 48 18.919 -6.715 0.353 1.00 25.00 C ATOM 592 CG1 VAL B 48 18.411 -8.111 -0.071 1.00 25.00 C ATOM 593 CG2 VAL B 48 17.666 -5.829 0.616 1.00 25.00 C ATOM 0 H VAL B 48 18.269 -7.227 2.825 1.00 25.00 H new ATOM 0 HA VAL B 48 20.698 -7.522 1.414 1.00 25.00 H new ATOM 0 HB VAL B 48 19.520 -6.266 -0.438 1.00 25.00 H new ATOM 0 HG11 VAL B 48 17.743 -8.011 -0.926 1.00 25.00 H new ATOM 0 HG12 VAL B 48 19.259 -8.739 -0.344 1.00 25.00 H new ATOM 0 HG13 VAL B 48 17.872 -8.570 0.758 1.00 25.00 H new ATOM 0 HG21 VAL B 48 17.037 -5.816 -0.274 1.00 25.00 H new ATOM 0 HG22 VAL B 48 17.101 -6.237 1.454 1.00 25.00 H new ATOM 0 HG23 VAL B 48 17.982 -4.813 0.852 1.00 25.00 H new ATOM 603 N CYS B 49 20.025 -4.633 2.733 1.00 25.00 N ATOM 604 CA CYS B 49 20.624 -3.314 3.014 1.00 25.00 C ATOM 605 C CYS B 49 21.905 -3.421 3.888 1.00 25.00 C ATOM 606 O CYS B 49 22.933 -2.824 3.555 1.00 25.00 O ATOM 607 CB CYS B 49 19.663 -2.406 3.786 1.00 25.00 C ATOM 608 SG CYS B 49 18.299 -1.801 2.767 1.00 25.00 S ATOM 0 H CYS B 49 19.217 -4.872 3.308 1.00 25.00 H new ATOM 0 HA CYS B 49 20.859 -2.900 2.033 1.00 25.00 H new ATOM 0 HB2 CYS B 49 19.259 -2.953 4.638 1.00 25.00 H new ATOM 0 HB3 CYS B 49 20.216 -1.556 4.186 1.00 25.00 H new ATOM 613 N GLY B 50 21.795 -4.047 5.063 1.00 25.00 N ATOM 614 CA GLY B 50 22.935 -4.092 5.977 1.00 25.00 C ATOM 615 C GLY B 50 23.405 -2.739 6.504 1.00 25.00 C ATOM 616 O GLY B 50 24.554 -2.614 6.844 1.00 25.00 O ATOM 0 H GLY B 50 20.953 -4.517 5.396 1.00 25.00 H new ATOM 0 HA2 GLY B 50 22.673 -4.723 6.827 1.00 25.00 H new ATOM 0 HA3 GLY B 50 23.769 -4.574 5.467 1.00 25.00 H new ATOM 620 N GLU B 51 22.521 -1.747 6.536 1.00 25.00 N ATOM 621 CA GLU B 51 22.942 -0.400 6.871 1.00 25.00 C ATOM 622 C GLU B 51 22.942 -0.151 8.402 1.00 25.00 C ATOM 623 O GLU B 51 24.037 0.081 8.975 1.00 25.00 O ATOM 624 CB GLU B 51 22.040 0.599 6.146 1.00 25.00 C ATOM 625 CG GLU B 51 22.096 0.556 4.583 1.00 25.00 C ATOM 626 CD GLU B 51 23.339 1.218 3.982 1.00 25.00 C ATOM 627 OE1 GLU B 51 24.440 0.881 4.268 1.00 25.00 O ATOM 628 OE2 GLU B 51 23.085 2.114 3.100 1.00 25.00 O ATOM 0 H GLU B 51 21.526 -1.851 6.337 1.00 25.00 H new ATOM 0 HA GLU B 51 23.972 -0.266 6.541 1.00 25.00 H new ATOM 0 HB2 GLU B 51 21.011 0.424 6.459 1.00 25.00 H new ATOM 0 HB3 GLU B 51 22.306 1.604 6.473 1.00 25.00 H new ATOM 0 HG2 GLU B 51 22.058 -0.484 4.258 1.00 25.00 H new ATOM 0 HG3 GLU B 51 21.208 1.047 4.185 1.00 25.00 H new ATOM 636 N GLN B 52 21.772 -0.211 9.040 1.00 25.00 N ATOM 637 CA GLN B 52 21.669 0.049 10.478 1.00 25.00 C ATOM 638 C GLN B 52 20.643 -0.784 11.201 1.00 25.00 C ATOM 639 O GLN B 52 20.773 -1.039 12.383 1.00 25.00 O ATOM 640 CB GLN B 52 21.241 1.493 10.743 1.00 25.00 C ATOM 641 CG GLN B 52 22.193 2.600 10.229 1.00 25.00 C ATOM 642 CD GLN B 52 23.598 2.573 10.791 1.00 25.00 C ATOM 643 OE1 GLN B 52 23.853 2.101 11.860 1.00 25.00 O ATOM 644 NE2 GLN B 52 24.501 3.196 10.084 1.00 25.00 N ATOM 0 H GLN B 52 20.886 -0.436 8.587 1.00 25.00 H new ATOM 0 HA GLN B 52 22.667 -0.191 10.846 1.00 25.00 H new ATOM 0 HB2 GLN B 52 20.262 1.647 10.290 1.00 25.00 H new ATOM 0 HB3 GLN B 52 21.118 1.621 11.819 1.00 25.00 H new ATOM 0 HG2 GLN B 52 22.255 2.525 9.143 1.00 25.00 H new ATOM 0 HG3 GLN B 52 21.749 3.569 10.457 1.00 25.00 H new ATOM 0 HE21 GLN B 52 24.256 3.589 9.175 1.00 25.00 H new ATOM 0 HE22 GLN B 52 25.452 3.290 10.440 1.00 25.00 H new ATOM 653 N GLY B 53 19.552 -1.128 10.512 1.00 25.00 N ATOM 654 CA GLY B 53 18.417 -1.745 11.161 1.00 25.00 C ATOM 655 C GLY B 53 17.301 -0.724 11.292 1.00 25.00 C ATOM 656 O GLY B 53 17.548 0.416 11.596 1.00 25.00 O ATOM 0 H GLY B 53 19.441 -0.986 9.508 1.00 25.00 H new ATOM 0 HA2 GLY B 53 18.075 -2.603 10.583 1.00 25.00 H new ATOM 0 HA3 GLY B 53 18.703 -2.117 12.145 1.00 25.00 H new ATOM 660 N PHE B 54 16.065 -1.123 11.003 1.00 25.00 N ATOM 661 CA PHE B 54 14.964 -0.164 11.042 1.00 25.00 C ATOM 662 C PHE B 54 14.483 0.008 12.478 1.00 25.00 C ATOM 663 O PHE B 54 13.876 1.011 12.808 1.00 25.00 O ATOM 664 CB PHE B 54 13.824 -0.644 10.200 1.00 25.00 C ATOM 665 CG PHE B 54 14.249 -1.058 8.832 1.00 25.00 C ATOM 666 CD1 PHE B 54 14.798 -0.148 7.943 1.00 25.00 C ATOM 667 CD2 PHE B 54 14.167 -2.410 8.462 1.00 25.00 C ATOM 668 CE1 PHE B 54 15.261 -0.530 6.700 1.00 25.00 C ATOM 669 CE2 PHE B 54 14.610 -2.802 7.163 1.00 25.00 C ATOM 670 CZ PHE B 54 15.165 -1.848 6.285 1.00 25.00 C ATOM 0 H PHE B 54 15.804 -2.075 10.746 1.00 25.00 H new ATOM 0 HA PHE B 54 15.321 0.790 10.653 1.00 25.00 H new ATOM 0 HB2 PHE B 54 13.342 -1.486 10.696 1.00 25.00 H new ATOM 0 HB3 PHE B 54 13.079 0.148 10.120 1.00 25.00 H new ATOM 0 HD1 PHE B 54 14.866 0.891 8.231 1.00 25.00 H new ATOM 0 HD2 PHE B 54 13.774 -3.143 9.151 1.00 25.00 H new ATOM 0 HE1 PHE B 54 15.702 0.206 6.045 1.00 25.00 H new ATOM 0 HE2 PHE B 54 14.520 -3.832 6.852 1.00 25.00 H new ATOM 0 HZ PHE B 54 15.510 -2.141 5.304 1.00 25.00 H new ATOM 680 N PHE B 55 14.714 -0.982 13.283 1.00 25.00 N ATOM 681 CA PHE B 55 14.321 -0.951 14.706 1.00 25.00 C ATOM 682 C PHE B 55 15.619 -1.137 15.486 1.00 25.00 C ATOM 683 O PHE B 55 15.862 -2.249 15.999 1.00 25.00 O ATOM 684 CB PHE B 55 13.285 -2.055 14.998 1.00 25.00 C ATOM 685 CG PHE B 55 11.883 -1.594 14.865 1.00 25.00 C ATOM 686 CD1 PHE B 55 11.331 -0.786 15.876 1.00 25.00 C ATOM 687 CD2 PHE B 55 11.107 -1.929 13.737 1.00 25.00 C ATOM 688 CE1 PHE B 55 10.007 -0.299 15.786 1.00 25.00 C ATOM 689 CE2 PHE B 55 9.771 -1.467 13.640 1.00 25.00 C ATOM 690 CZ PHE B 55 9.232 -0.629 14.677 1.00 25.00 C ATOM 0 H PHE B 55 15.178 -1.845 12.998 1.00 25.00 H new ATOM 0 HA PHE B 55 13.837 -0.017 14.992 1.00 25.00 H new ATOM 0 HB2 PHE B 55 13.452 -2.889 14.317 1.00 25.00 H new ATOM 0 HB3 PHE B 55 13.442 -2.432 16.009 1.00 25.00 H new ATOM 0 HD1 PHE B 55 11.931 -0.533 16.738 1.00 25.00 H new ATOM 0 HD2 PHE B 55 11.529 -2.536 12.949 1.00 25.00 H new ATOM 0 HE1 PHE B 55 9.600 0.323 16.570 1.00 25.00 H new ATOM 0 HE2 PHE B 55 9.161 -1.743 12.792 1.00 25.00 H new ATOM 0 HZ PHE B 55 8.222 -0.254 14.595 1.00 25.00 H new ATOM 700 N TYR B 56 16.448 -0.077 15.458 1.00 25.00 N ATOM 701 CA TYR B 56 17.652 -0.014 16.224 1.00 25.00 C ATOM 702 C TYR B 56 17.840 1.411 16.777 1.00 25.00 C ATOM 703 O TYR B 56 17.763 2.387 16.040 1.00 25.00 O ATOM 704 CB TYR B 56 18.875 -0.386 15.404 1.00 25.00 C ATOM 705 CG TYR B 56 20.154 -0.215 16.227 1.00 25.00 C ATOM 706 CD1 TYR B 56 20.547 -1.183 17.184 1.00 25.00 C ATOM 707 CD2 TYR B 56 20.963 0.958 16.090 1.00 25.00 C ATOM 708 CE1 TYR B 56 21.702 -1.027 17.952 1.00 25.00 C ATOM 709 CE2 TYR B 56 22.112 1.122 16.901 1.00 25.00 C ATOM 710 CZ TYR B 56 22.456 0.101 17.845 1.00 25.00 C ATOM 711 OH TYR B 56 23.591 0.298 18.620 1.00 25.00 O ATOM 0 H TYR B 56 16.277 0.753 14.891 1.00 25.00 H new ATOM 0 HA TYR B 56 17.556 -0.735 17.036 1.00 25.00 H new ATOM 0 HB2 TYR B 56 18.791 -1.419 15.065 1.00 25.00 H new ATOM 0 HB3 TYR B 56 18.925 0.239 14.513 1.00 25.00 H new ATOM 0 HD1 TYR B 56 19.938 -2.064 17.323 1.00 25.00 H new ATOM 0 HD2 TYR B 56 20.697 1.717 15.369 1.00 25.00 H new ATOM 0 HE1 TYR B 56 22.000 -1.808 18.637 1.00 25.00 H new ATOM 0 HE2 TYR B 56 22.723 2.008 16.809 1.00 25.00 H new ATOM 0 HH TYR B 56 23.993 1.163 18.397 1.00 25.00 H new ATOM 721 N THR B 57 18.108 1.496 18.083 1.00 25.00 N ATOM 722 CA THR B 57 18.426 2.769 18.713 1.00 25.00 C ATOM 723 C THR B 57 19.620 2.506 19.614 1.00 25.00 C ATOM 724 O THR B 57 19.740 1.385 20.126 1.00 25.00 O ATOM 725 CB THR B 57 17.242 3.384 19.556 1.00 25.00 C ATOM 726 OG1 THR B 57 16.685 2.398 20.448 1.00 25.00 O ATOM 727 CG2 THR B 57 16.093 3.899 18.651 1.00 25.00 C ATOM 0 H THR B 57 18.110 0.698 18.718 1.00 25.00 H new ATOM 0 HA THR B 57 18.630 3.505 17.936 1.00 25.00 H new ATOM 0 HB THR B 57 17.666 4.217 20.117 1.00 25.00 H new ATOM 0 HG1 THR B 57 15.954 2.799 20.963 1.00 25.00 H new ATOM 0 HG21 THR B 57 15.299 4.314 19.272 1.00 25.00 H new ATOM 0 HG22 THR B 57 16.474 4.672 17.984 1.00 25.00 H new ATOM 0 HG23 THR B 57 15.697 3.073 18.060 1.00 25.00 H new ATOM 735 N PRO B 58 20.514 3.473 19.779 1.00 25.00 N ATOM 736 CA PRO B 58 21.616 3.219 20.669 1.00 25.00 C ATOM 737 C PRO B 58 21.177 3.278 22.114 1.00 25.00 C ATOM 738 O PRO B 58 20.091 3.739 22.414 1.00 25.00 O ATOM 739 CB PRO B 58 22.614 4.340 20.366 1.00 25.00 C ATOM 740 CG PRO B 58 21.720 5.460 19.950 1.00 25.00 C ATOM 741 CD PRO B 58 20.599 4.837 19.196 1.00 25.00 C ATOM 0 HA PRO B 58 22.040 2.226 20.522 1.00 25.00 H new ATOM 0 HB2 PRO B 58 23.211 4.600 21.240 1.00 25.00 H new ATOM 0 HB3 PRO B 58 23.311 4.061 19.576 1.00 25.00 H new ATOM 0 HG2 PRO B 58 21.350 6.006 20.818 1.00 25.00 H new ATOM 0 HG3 PRO B 58 22.257 6.176 19.328 1.00 25.00 H new ATOM 0 HD2 PRO B 58 19.669 5.390 19.328 1.00 25.00 H new ATOM 0 HD3 PRO B 58 20.802 4.805 18.126 1.00 25.00 H new ATOM 749 N LYS B 59 22.057 2.919 23.043 1.00 25.00 N ATOM 750 CA LYS B 59 21.737 3.100 24.479 1.00 25.00 C ATOM 751 C LYS B 59 22.765 3.951 25.161 1.00 25.00 C ATOM 752 O LYS B 59 23.973 3.713 24.953 1.00 25.00 O ATOM 753 CB LYS B 59 21.703 1.734 25.151 1.00 25.00 C ATOM 754 CG LYS B 59 21.134 1.740 26.579 1.00 25.00 C ATOM 755 CD LYS B 59 21.232 0.466 27.291 1.00 25.00 C ATOM 756 CE LYS B 59 22.667 -0.072 27.481 1.00 25.00 C ATOM 757 NZ LYS B 59 22.753 -1.372 28.151 1.00 25.00 N ATOM 0 H LYS B 59 22.973 2.513 22.851 1.00 25.00 H new ATOM 0 HA LYS B 59 20.770 3.596 24.559 1.00 25.00 H new ATOM 0 HB2 LYS B 59 21.107 1.057 24.539 1.00 25.00 H new ATOM 0 HB3 LYS B 59 22.716 1.331 25.179 1.00 25.00 H new ATOM 0 HG2 LYS B 59 21.655 2.503 27.158 1.00 25.00 H new ATOM 0 HG3 LYS B 59 20.085 2.034 26.534 1.00 25.00 H new ATOM 0 HD2 LYS B 59 20.771 0.580 28.272 1.00 25.00 H new ATOM 0 HD3 LYS B 59 20.650 -0.280 26.750 1.00 25.00 H new ATOM 0 HE2 LYS B 59 23.143 -0.151 26.503 1.00 25.00 H new ATOM 0 HE3 LYS B 59 23.239 0.656 28.056 1.00 25.00 H new ATOM 0 HZ1 LYS B 59 23.751 -1.654 28.235 1.00 25.00 H new ATOM 0 HZ2 LYS B 59 22.332 -1.302 29.099 1.00 25.00 H new ATOM 0 HZ3 LYS B 59 22.238 -2.084 27.595 1.00 25.00 H new ATOM 771 N THR B 60 22.326 4.954 25.960 1.00 25.00 N ATOM 772 CA THR B 60 23.239 5.807 26.762 1.00 25.00 C ATOM 773 C THR B 60 22.470 6.436 27.980 1.00 25.00 C ATOM 774 O THR B 60 22.897 6.449 29.110 1.00 25.00 O ATOM 775 CB THR B 60 23.954 6.925 25.872 1.00 25.00 C ATOM 776 OG1 THR B 60 24.885 7.676 26.706 1.00 25.00 O ATOM 777 CG2 THR B 60 22.977 7.990 25.255 1.00 25.00 C ATOM 778 OXT THR B 60 21.236 6.593 27.777 1.00 25.00 O ATOM 0 H THR B 60 21.340 5.193 26.067 1.00 25.00 H new ATOM 0 HA THR B 60 24.034 5.171 27.152 1.00 25.00 H new ATOM 0 HB THR B 60 24.431 6.380 25.057 1.00 25.00 H new ATOM 0 HG1 THR B 60 25.328 8.363 26.165 1.00 25.00 H new ATOM 0 HG21 THR B 60 23.547 8.709 24.667 1.00 25.00 H new ATOM 0 HG22 THR B 60 22.252 7.490 24.613 1.00 25.00 H new ATOM 0 HG23 THR B 60 22.453 8.511 26.057 1.00 25.00 H new TER 787 THR B 60