USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 379 hydrogens (14 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 26 NVA HD2 : B 26 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 26 NVA HD1 : B 26 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 26 NVA H2 : B 26 NVA N : B 25 PHE C :(H bumps) USER MOD NoAdj-H: B 26 NVA H : B 26 NVA N : B 25 PHE C :(H bumps) USER MOD Set 1.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 15 GLN : amide:sc=-0.00146 X(o=-0.0015,f=-0.017) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.43 X(o=-0.43,f=-0.43) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -65:sc= 1.28 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.0425 X(o=0.042,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.07 K(o=-0.07,f=-1.2) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0135 K(o=-0.014,f=-1.4!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.847 K(o=0.85,f=-2.6!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.00654 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.396 -0.357 -0.168 1.00 25.00 N ATOM 2 CA GLY A 1 0.635 -0.242 -1.262 1.00 25.00 C ATOM 3 C GLY A 1 0.191 0.050 -2.710 1.00 25.00 C ATOM 4 O GLY A 1 -0.982 0.209 -2.985 1.00 25.00 O ATOM 0 H1 GLY A 1 0.078 -0.555 0.736 1.00 25.00 H new ATOM 0 H2 GLY A 1 -0.925 0.536 -0.094 1.00 25.00 H new ATOM 0 H3 GLY A 1 -1.054 -1.131 -0.391 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.331 0.545 -0.971 1.00 25.00 H new ATOM 0 HA3 GLY A 1 1.198 -1.175 -1.277 1.00 25.00 H new ATOM 9 N ILE A 2 1.142 0.032 -3.682 1.00 25.00 N ATOM 10 CA ILE A 2 0.809 0.332 -5.099 1.00 25.00 C ATOM 11 C ILE A 2 -0.089 -0.713 -5.719 1.00 25.00 C ATOM 12 O ILE A 2 -1.011 -0.407 -6.494 1.00 25.00 O ATOM 13 CB ILE A 2 2.138 0.566 -5.928 1.00 25.00 C ATOM 14 CG1 ILE A 2 1.787 1.251 -7.263 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.998 -0.725 -6.125 1.00 25.00 C ATOM 16 CD1 ILE A 2 1.353 2.746 -7.114 1.00 25.00 C ATOM 0 H ILE A 2 2.125 -0.182 -3.515 1.00 25.00 H new ATOM 0 HA ILE A 2 0.229 1.255 -5.123 1.00 25.00 H new ATOM 0 HB ILE A 2 2.781 1.224 -5.344 1.00 25.00 H new ATOM 0 HG12 ILE A 2 2.651 1.198 -7.925 1.00 25.00 H new ATOM 0 HG13 ILE A 2 0.982 0.696 -7.744 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.891 -0.483 -6.702 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.291 -1.119 -5.152 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.413 -1.474 -6.659 1.00 25.00 H new ATOM 0 HD11 ILE A 2 1.123 3.158 -8.097 1.00 25.00 H new ATOM 0 HD12 ILE A 2 0.469 2.807 -6.479 1.00 25.00 H new ATOM 0 HD13 ILE A 2 2.164 3.317 -6.663 1.00 25.00 H new ATOM 28 N VAL A 3 0.098 -1.966 -5.321 1.00 25.00 N ATOM 29 CA VAL A 3 -0.805 -3.082 -5.774 1.00 25.00 C ATOM 30 C VAL A 3 -2.262 -2.866 -5.308 1.00 25.00 C ATOM 31 O VAL A 3 -3.193 -3.088 -6.080 1.00 25.00 O ATOM 32 CB VAL A 3 -0.276 -4.404 -5.181 1.00 25.00 C ATOM 33 CG1 VAL A 3 -1.326 -5.514 -5.396 1.00 25.00 C ATOM 34 CG2 VAL A 3 1.013 -4.772 -5.834 1.00 25.00 C ATOM 0 H VAL A 3 0.848 -2.259 -4.695 1.00 25.00 H new ATOM 0 HA VAL A 3 -0.805 -3.109 -6.864 1.00 25.00 H new ATOM 0 HB VAL A 3 -0.099 -4.283 -4.112 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -0.956 -6.450 -4.978 1.00 25.00 H new ATOM 0 HG12 VAL A 3 -2.256 -5.237 -4.899 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -1.509 -5.640 -6.463 1.00 25.00 H new ATOM 0 HG21 VAL A 3 1.381 -5.706 -5.411 1.00 25.00 H new ATOM 0 HG22 VAL A 3 0.856 -4.896 -6.905 1.00 25.00 H new ATOM 0 HG23 VAL A 3 1.745 -3.983 -5.664 1.00 25.00 H new ATOM 44 N GLU A 4 -2.429 -2.434 -4.057 1.00 25.00 N ATOM 45 CA GLU A 4 -3.753 -2.195 -3.487 1.00 25.00 C ATOM 46 C GLU A 4 -4.431 -1.068 -4.203 1.00 25.00 C ATOM 47 O GLU A 4 -5.615 -1.098 -4.535 1.00 25.00 O ATOM 48 CB GLU A 4 -3.609 -1.904 -1.974 1.00 25.00 C ATOM 49 CG GLU A 4 -4.935 -1.830 -1.131 1.00 25.00 C ATOM 50 CD GLU A 4 -4.654 -1.582 0.318 1.00 25.00 C ATOM 51 OE1 GLU A 4 -3.761 -2.075 0.894 1.00 25.00 O ATOM 52 OE2 GLU A 4 -5.526 -0.810 0.881 1.00 25.00 O ATOM 0 H GLU A 4 -1.658 -2.242 -3.417 1.00 25.00 H new ATOM 0 HA GLU A 4 -4.376 -3.081 -3.612 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -2.974 -2.676 -1.540 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -3.082 -0.957 -1.860 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -5.570 -1.034 -1.520 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -5.489 -2.762 -1.240 1.00 25.00 H new ATOM 60 N GLN A 5 -3.627 -0.067 -4.527 1.00 25.00 N ATOM 61 CA GLN A 5 -4.106 1.041 -5.360 1.00 25.00 C ATOM 62 C GLN A 5 -4.591 0.522 -6.725 1.00 25.00 C ATOM 63 O GLN A 5 -5.702 0.851 -7.122 1.00 25.00 O ATOM 64 CB GLN A 5 -3.029 2.136 -5.552 1.00 25.00 C ATOM 65 CG GLN A 5 -3.609 3.563 -5.407 1.00 25.00 C ATOM 66 CD GLN A 5 -4.253 3.770 -4.059 1.00 25.00 C ATOM 67 OE1 GLN A 5 -5.480 3.948 -3.958 1.00 25.00 O ATOM 68 NE2 GLN A 5 -3.462 3.775 -3.016 1.00 25.00 N ATOM 0 H GLN A 5 -2.653 0.007 -4.234 1.00 25.00 H new ATOM 0 HA GLN A 5 -4.945 1.498 -4.835 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -2.234 1.993 -4.820 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -2.577 2.029 -6.538 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -2.813 4.295 -5.546 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -4.344 3.738 -6.192 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -2.460 3.626 -3.135 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -3.848 3.928 -2.084 1.00 25.00 H new ATOM 77 N CYS A 6 -3.765 -0.247 -7.412 1.00 25.00 N ATOM 78 CA CYS A 6 -4.113 -0.758 -8.747 1.00 25.00 C ATOM 79 C CYS A 6 -5.256 -1.799 -8.700 1.00 25.00 C ATOM 80 O CYS A 6 -5.915 -2.076 -9.723 1.00 25.00 O ATOM 81 CB CYS A 6 -2.854 -1.363 -9.356 1.00 25.00 C ATOM 82 SG CYS A 6 -2.831 -1.453 -11.166 1.00 25.00 S ATOM 0 H CYS A 6 -2.846 -0.537 -7.077 1.00 25.00 H new ATOM 0 HA CYS A 6 -4.482 0.065 -9.360 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.995 -0.778 -9.027 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -2.726 -2.369 -8.958 1.00 25.00 H new ATOM 87 N CYS A 7 -5.536 -2.289 -7.509 1.00 25.00 N ATOM 88 CA CYS A 7 -6.622 -3.217 -7.284 1.00 25.00 C ATOM 89 C CYS A 7 -7.981 -2.529 -7.062 1.00 25.00 C ATOM 90 O CYS A 7 -9.011 -3.001 -7.577 1.00 25.00 O ATOM 91 CB CYS A 7 -6.269 -4.119 -6.107 1.00 25.00 C ATOM 92 SG CYS A 7 -7.393 -5.527 -5.870 1.00 25.00 S ATOM 0 H CYS A 7 -5.012 -2.052 -6.666 1.00 25.00 H new ATOM 0 HA CYS A 7 -6.741 -3.810 -8.191 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -5.257 -4.498 -6.248 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -6.261 -3.520 -5.196 1.00 25.00 H new ATOM 97 N THR A 8 -7.972 -1.439 -6.296 1.00 25.00 N ATOM 98 CA THR A 8 -9.197 -0.706 -5.949 1.00 25.00 C ATOM 99 C THR A 8 -9.564 0.395 -6.976 1.00 25.00 C ATOM 100 O THR A 8 -10.702 0.885 -7.041 1.00 25.00 O ATOM 101 CB THR A 8 -9.035 -0.089 -4.529 1.00 25.00 C ATOM 102 OG1 THR A 8 -10.292 0.302 -4.005 1.00 25.00 O ATOM 103 CG2 THR A 8 -8.042 1.131 -4.516 1.00 25.00 C ATOM 0 H THR A 8 -7.123 -1.038 -5.899 1.00 25.00 H new ATOM 0 HA THR A 8 -10.020 -1.420 -5.965 1.00 25.00 H new ATOM 0 HB THR A 8 -8.608 -0.866 -3.895 1.00 25.00 H new ATOM 0 HG1 THR A 8 -10.169 0.686 -3.112 1.00 25.00 H new ATOM 0 HG21 THR A 8 -7.964 1.526 -3.503 1.00 25.00 H new ATOM 0 HG22 THR A 8 -7.059 0.804 -4.855 1.00 25.00 H new ATOM 0 HG23 THR A 8 -8.414 1.910 -5.181 1.00 25.00 H new ATOM 111 N SER A 9 -8.612 0.770 -7.772 1.00 25.00 N ATOM 112 CA SER A 9 -8.843 1.714 -8.841 1.00 25.00 C ATOM 113 C SER A 9 -8.402 1.019 -10.103 1.00 25.00 C ATOM 114 O SER A 9 -8.064 -0.157 -10.040 1.00 25.00 O ATOM 115 CB SER A 9 -8.059 2.980 -8.586 1.00 25.00 C ATOM 116 OG SER A 9 -6.687 2.742 -8.696 1.00 25.00 O ATOM 0 H SER A 9 -7.651 0.436 -7.706 1.00 25.00 H new ATOM 0 HA SER A 9 -9.889 2.012 -8.918 1.00 25.00 H new ATOM 0 HB2 SER A 9 -8.358 3.749 -9.299 1.00 25.00 H new ATOM 0 HB3 SER A 9 -8.288 3.361 -7.591 1.00 25.00 H new ATOM 0 HG SER A 9 -6.404 2.124 -7.989 1.00 25.00 H new ATOM 122 N ILE A 10 -8.490 1.696 -11.245 1.00 25.00 N ATOM 123 CA ILE A 10 -8.120 1.102 -12.515 1.00 25.00 C ATOM 124 C ILE A 10 -6.864 1.759 -13.064 1.00 25.00 C ATOM 125 O ILE A 10 -6.854 2.970 -13.293 1.00 25.00 O ATOM 126 CB ILE A 10 -9.286 1.262 -13.523 1.00 25.00 C ATOM 127 CG1 ILE A 10 -10.471 0.407 -13.023 1.00 25.00 C ATOM 128 CG2 ILE A 10 -8.893 0.885 -14.941 1.00 25.00 C ATOM 129 CD1 ILE A 10 -11.733 0.723 -13.731 1.00 25.00 C ATOM 0 H ILE A 10 -8.816 2.660 -11.311 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.917 0.042 -12.363 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.569 2.313 -13.570 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -10.236 -0.649 -13.158 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.607 0.569 -11.954 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -9.749 1.017 -15.603 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -8.075 1.524 -15.274 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -8.573 -0.157 -14.965 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -12.535 0.095 -13.343 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -11.985 1.772 -13.575 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -11.609 0.535 -14.797 1.00 25.00 H new ATOM 141 N CYS A 11 -5.801 0.978 -13.265 1.00 25.00 N ATOM 142 CA CYS A 11 -4.530 1.506 -13.789 1.00 25.00 C ATOM 143 C CYS A 11 -4.604 1.640 -15.329 1.00 25.00 C ATOM 144 O CYS A 11 -5.461 1.027 -16.020 1.00 25.00 O ATOM 145 CB CYS A 11 -3.402 0.547 -13.418 1.00 25.00 C ATOM 146 SG CYS A 11 -2.948 0.517 -11.697 1.00 25.00 S ATOM 0 H CYS A 11 -5.790 -0.024 -13.074 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.342 2.489 -13.356 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -3.694 -0.460 -13.715 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -2.520 0.809 -14.003 1.00 25.00 H new ATOM 151 N SER A 12 -3.705 2.466 -15.858 1.00 25.00 N ATOM 152 CA SER A 12 -3.617 2.747 -17.308 1.00 25.00 C ATOM 153 C SER A 12 -2.277 2.255 -17.841 1.00 25.00 C ATOM 154 O SER A 12 -1.368 1.987 -17.071 1.00 25.00 O ATOM 155 CB SER A 12 -3.705 4.237 -17.510 1.00 25.00 C ATOM 156 OG SER A 12 -4.431 4.857 -16.444 1.00 25.00 O ATOM 0 H SER A 12 -3.011 2.965 -15.301 1.00 25.00 H new ATOM 0 HA SER A 12 -4.426 2.241 -17.835 1.00 25.00 H new ATOM 0 HB2 SER A 12 -2.702 4.660 -17.566 1.00 25.00 H new ATOM 0 HB3 SER A 12 -4.194 4.450 -18.460 1.00 25.00 H new ATOM 0 HG SER A 12 -4.473 5.824 -16.596 1.00 25.00 H new ATOM 162 N LEU A 13 -2.128 2.254 -19.164 1.00 25.00 N ATOM 163 CA LEU A 13 -0.840 1.880 -19.833 1.00 25.00 C ATOM 164 C LEU A 13 0.284 2.742 -19.344 1.00 25.00 C ATOM 165 O LEU A 13 1.387 2.255 -19.062 1.00 25.00 O ATOM 166 CB LEU A 13 -0.958 2.091 -21.370 1.00 25.00 C ATOM 167 CG LEU A 13 -1.771 1.081 -22.177 1.00 25.00 C ATOM 168 CD1 LEU A 13 -2.036 1.585 -23.622 1.00 25.00 C ATOM 169 CD2 LEU A 13 -1.034 -0.257 -22.221 1.00 25.00 C ATOM 0 H LEU A 13 -2.873 2.506 -19.813 1.00 25.00 H new ATOM 0 HA LEU A 13 -0.639 0.835 -19.599 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -1.391 3.077 -21.538 1.00 25.00 H new ATOM 0 HB3 LEU A 13 0.051 2.111 -21.782 1.00 25.00 H new ATOM 0 HG LEU A 13 -2.735 0.955 -21.685 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -2.617 0.840 -24.166 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -2.591 2.522 -23.584 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -1.086 1.747 -24.131 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -1.617 -0.975 -22.798 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -0.060 -0.121 -22.690 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -0.899 -0.631 -21.206 1.00 25.00 H new ATOM 181 N TYR A 14 0.029 4.023 -19.167 1.00 25.00 N ATOM 182 CA TYR A 14 1.125 4.922 -18.739 1.00 25.00 C ATOM 183 C TYR A 14 1.526 4.558 -17.344 1.00 25.00 C ATOM 184 O TYR A 14 2.716 4.527 -17.032 1.00 25.00 O ATOM 185 CB TYR A 14 0.683 6.418 -18.842 1.00 25.00 C ATOM 186 CG TYR A 14 -0.288 6.669 -19.971 1.00 25.00 C ATOM 187 CD1 TYR A 14 0.145 6.631 -21.297 1.00 25.00 C ATOM 188 CD2 TYR A 14 -1.638 6.939 -19.697 1.00 25.00 C ATOM 189 CE1 TYR A 14 -0.760 6.801 -22.351 1.00 25.00 C ATOM 190 CE2 TYR A 14 -2.569 7.120 -20.772 1.00 25.00 C ATOM 191 CZ TYR A 14 -2.122 7.057 -22.100 1.00 25.00 C ATOM 192 OH TYR A 14 -2.936 7.231 -23.204 1.00 25.00 O ATOM 0 H TYR A 14 -0.879 4.467 -19.301 1.00 25.00 H new ATOM 0 HA TYR A 14 1.985 4.801 -19.397 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.224 6.721 -17.901 1.00 25.00 H new ATOM 0 HB3 TYR A 14 1.565 7.043 -18.983 1.00 25.00 H new ATOM 0 HD1 TYR A 14 1.191 6.469 -21.512 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -1.976 7.011 -18.674 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -0.409 6.735 -23.370 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -3.612 7.304 -20.560 1.00 25.00 H new ATOM 0 HH TYR A 14 -3.855 7.400 -22.909 1.00 25.00 H new ATOM 202 N GLN A 15 0.548 4.319 -16.491 1.00 25.00 N ATOM 203 CA GLN A 15 0.854 4.041 -15.082 1.00 25.00 C ATOM 204 C GLN A 15 1.688 2.774 -14.956 1.00 25.00 C ATOM 205 O GLN A 15 2.652 2.739 -14.207 1.00 25.00 O ATOM 206 CB GLN A 15 -0.447 3.906 -14.294 1.00 25.00 C ATOM 207 CG GLN A 15 -1.331 5.141 -14.433 1.00 25.00 C ATOM 208 CD GLN A 15 -1.939 5.520 -13.125 1.00 25.00 C ATOM 209 OE1 GLN A 15 -1.288 5.916 -12.215 1.00 25.00 O ATOM 210 NE2 GLN A 15 -3.222 5.365 -13.028 1.00 25.00 N ATOM 0 H GLN A 15 -0.444 4.309 -16.730 1.00 25.00 H new ATOM 0 HA GLN A 15 1.434 4.869 -14.674 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -0.992 3.029 -14.642 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -0.218 3.741 -13.241 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -0.740 5.973 -14.817 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -2.119 4.947 -15.161 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -3.756 5.023 -13.827 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -3.698 5.585 -12.153 1.00 25.00 H new ATOM 219 N LEU A 16 1.368 1.781 -15.761 1.00 25.00 N ATOM 220 CA LEU A 16 2.190 0.587 -15.777 1.00 25.00 C ATOM 221 C LEU A 16 3.575 0.858 -16.312 1.00 25.00 C ATOM 222 O LEU A 16 4.558 0.302 -15.837 1.00 25.00 O ATOM 223 CB LEU A 16 1.473 -0.493 -16.632 1.00 25.00 C ATOM 224 CG LEU A 16 0.041 -0.912 -16.233 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.554 -1.651 -17.394 1.00 25.00 C ATOM 226 CD2 LEU A 16 0.040 -1.825 -14.999 1.00 25.00 C ATOM 0 H LEU A 16 0.569 1.773 -16.395 1.00 25.00 H new ATOM 0 HA LEU A 16 2.317 0.235 -14.753 1.00 25.00 H new ATOM 0 HB2 LEU A 16 1.440 -0.134 -17.661 1.00 25.00 H new ATOM 0 HB3 LEU A 16 2.095 -1.388 -16.626 1.00 25.00 H new ATOM 0 HG LEU A 16 -0.537 -0.022 -15.984 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -1.569 -1.963 -17.146 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -0.578 -0.999 -18.267 1.00 25.00 H new ATOM 0 HD13 LEU A 16 0.052 -2.530 -17.615 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -0.985 -2.098 -14.749 1.00 25.00 H new ATOM 0 HD22 LEU A 16 0.614 -2.727 -15.213 1.00 25.00 H new ATOM 0 HD23 LEU A 16 0.491 -1.299 -14.157 1.00 25.00 H new ATOM 238 N GLU A 17 3.684 1.732 -17.319 1.00 25.00 N ATOM 239 CA GLU A 17 5.012 2.098 -17.851 1.00 25.00 C ATOM 240 C GLU A 17 5.860 2.833 -16.784 1.00 25.00 C ATOM 241 O GLU A 17 7.067 2.760 -16.809 1.00 25.00 O ATOM 242 CB GLU A 17 4.889 3.002 -19.108 1.00 25.00 C ATOM 243 CG GLU A 17 4.683 2.186 -20.446 1.00 25.00 C ATOM 244 CD GLU A 17 5.141 2.958 -21.656 1.00 25.00 C ATOM 245 OE1 GLU A 17 4.568 3.938 -22.068 1.00 25.00 O ATOM 246 OE2 GLU A 17 6.216 2.460 -22.229 1.00 25.00 O ATOM 0 H GLU A 17 2.896 2.191 -17.775 1.00 25.00 H new ATOM 0 HA GLU A 17 5.508 1.167 -18.127 1.00 25.00 H new ATOM 0 HB2 GLU A 17 4.051 3.686 -18.975 1.00 25.00 H new ATOM 0 HB3 GLU A 17 5.787 3.613 -19.197 1.00 25.00 H new ATOM 0 HG2 GLU A 17 5.233 1.247 -20.386 1.00 25.00 H new ATOM 0 HG3 GLU A 17 3.629 1.931 -20.556 1.00 25.00 H new ATOM 254 N ASN A 18 5.213 3.499 -15.842 1.00 25.00 N ATOM 255 CA ASN A 18 5.972 4.161 -14.767 1.00 25.00 C ATOM 256 C ASN A 18 6.575 3.161 -13.762 1.00 25.00 C ATOM 257 O ASN A 18 7.390 3.548 -12.934 1.00 25.00 O ATOM 258 CB ASN A 18 5.084 5.140 -13.990 1.00 25.00 C ATOM 259 CG ASN A 18 5.007 6.476 -14.660 1.00 25.00 C ATOM 260 OD1 ASN A 18 5.918 7.265 -14.633 1.00 25.00 O ATOM 261 ND2 ASN A 18 3.940 6.709 -15.356 1.00 25.00 N ATOM 0 H ASN A 18 4.200 3.601 -15.788 1.00 25.00 H new ATOM 0 HA ASN A 18 6.784 4.692 -15.263 1.00 25.00 H new ATOM 0 HB2 ASN A 18 4.081 4.723 -13.895 1.00 25.00 H new ATOM 0 HB3 ASN A 18 5.476 5.262 -12.980 1.00 25.00 H new ATOM 0 HD21 ASN A 18 3.860 7.572 -15.894 1.00 25.00 H new ATOM 0 HD22 ASN A 18 3.179 6.029 -15.367 1.00 25.00 H new ATOM 268 N TYR A 19 6.227 1.870 -13.860 1.00 25.00 N ATOM 269 CA TYR A 19 6.885 0.790 -13.057 1.00 25.00 C ATOM 270 C TYR A 19 7.903 0.039 -13.963 1.00 25.00 C ATOM 271 O TYR A 19 8.523 -0.933 -13.503 1.00 25.00 O ATOM 272 CB TYR A 19 5.842 -0.219 -12.515 1.00 25.00 C ATOM 273 CG TYR A 19 4.518 0.405 -11.976 1.00 25.00 C ATOM 274 CD1 TYR A 19 4.493 1.601 -11.219 1.00 25.00 C ATOM 275 CD2 TYR A 19 3.269 -0.252 -12.224 1.00 25.00 C ATOM 276 CE1 TYR A 19 3.242 2.142 -10.760 1.00 25.00 C ATOM 277 CE2 TYR A 19 2.010 0.298 -11.720 1.00 25.00 C ATOM 278 CZ TYR A 19 2.041 1.469 -10.963 1.00 25.00 C ATOM 279 OH TYR A 19 0.880 2.016 -10.526 1.00 25.00 O ATOM 0 H TYR A 19 5.494 1.532 -14.484 1.00 25.00 H new ATOM 0 HA TYR A 19 7.392 1.247 -12.207 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.594 -0.921 -13.311 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.303 -0.796 -11.714 1.00 25.00 H new ATOM 0 HD1 TYR A 19 5.417 2.109 -10.985 1.00 25.00 H new ATOM 0 HD2 TYR A 19 3.257 -1.170 -12.793 1.00 25.00 H new ATOM 0 HE1 TYR A 19 3.234 3.092 -10.246 1.00 25.00 H new ATOM 0 HE2 TYR A 19 1.072 -0.195 -11.931 1.00 25.00 H new ATOM 0 HH TYR A 19 0.134 1.420 -10.747 1.00 25.00 H new ATOM 289 N CYS A 20 8.058 0.467 -15.215 1.00 25.00 N ATOM 290 CA CYS A 20 9.000 -0.154 -16.163 1.00 25.00 C ATOM 291 C CYS A 20 10.352 0.567 -16.063 1.00 25.00 C ATOM 292 O CYS A 20 10.499 1.609 -15.472 1.00 25.00 O ATOM 293 CB CYS A 20 8.467 -0.035 -17.623 1.00 25.00 C ATOM 294 SG CYS A 20 8.885 -1.402 -18.785 1.00 25.00 S ATOM 0 H CYS A 20 7.538 1.252 -15.606 1.00 25.00 H new ATOM 0 HA CYS A 20 9.110 -1.209 -15.914 1.00 25.00 H new ATOM 0 HB2 CYS A 20 7.381 0.052 -17.580 1.00 25.00 H new ATOM 0 HB3 CYS A 20 8.845 0.896 -18.046 1.00 25.00 H new ATOM 299 N ASN A 21 11.341 -0.015 -16.742 1.00 25.00 N ATOM 300 CA ASN A 21 12.678 0.595 -16.779 1.00 25.00 C ATOM 301 C ASN A 21 12.603 1.959 -17.464 1.00 25.00 C ATOM 302 O ASN A 21 12.165 2.127 -18.613 1.00 25.00 O ATOM 303 CB ASN A 21 13.693 -0.332 -17.506 1.00 25.00 C ATOM 304 CG ASN A 21 15.118 0.170 -17.348 1.00 25.00 C ATOM 305 OD1 ASN A 21 15.517 1.257 -17.658 1.00 25.00 O ATOM 306 ND2 ASN A 21 15.985 -0.710 -16.812 1.00 25.00 N ATOM 307 OXT ASN A 21 12.957 2.926 -16.680 1.00 25.00 O ATOM 0 H ASN A 21 11.250 -0.887 -17.263 1.00 25.00 H new ATOM 0 HA ASN A 21 13.029 0.731 -15.756 1.00 25.00 H new ATOM 0 HB2 ASN A 21 13.616 -1.343 -17.105 1.00 25.00 H new ATOM 0 HB3 ASN A 21 13.442 -0.389 -18.565 1.00 25.00 H new ATOM 0 HD21 ASN A 21 16.961 -0.446 -16.677 1.00 25.00 H new ATOM 0 HD22 ASN A 21 15.666 -1.640 -16.541 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -5.246 -3.288 -25.536 1.00 25.00 N ATOM 317 CA PHE B 1 -5.338 -3.167 -24.031 1.00 25.00 C ATOM 318 C PHE B 1 -6.719 -2.942 -23.347 1.00 25.00 C ATOM 319 O PHE B 1 -7.513 -2.144 -23.788 1.00 25.00 O ATOM 320 CB PHE B 1 -4.449 -1.993 -23.601 1.00 25.00 C ATOM 321 CG PHE B 1 -4.122 -1.972 -22.130 1.00 25.00 C ATOM 322 CD1 PHE B 1 -3.025 -2.767 -21.646 1.00 25.00 C ATOM 323 CD2 PHE B 1 -4.878 -1.243 -21.185 1.00 25.00 C ATOM 324 CE1 PHE B 1 -2.738 -2.804 -20.298 1.00 25.00 C ATOM 325 CE2 PHE B 1 -4.547 -1.274 -19.856 1.00 25.00 C ATOM 326 CZ PHE B 1 -3.474 -2.047 -19.409 1.00 25.00 C ATOM 0 H1 PHE B 1 -4.254 -3.434 -25.813 1.00 25.00 H new ATOM 0 H2 PHE B 1 -5.817 -4.097 -25.855 1.00 25.00 H new ATOM 0 H3 PHE B 1 -5.604 -2.417 -25.977 1.00 25.00 H new ATOM 0 HA PHE B 1 -5.042 -4.163 -23.700 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -3.519 -2.030 -24.168 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -4.946 -1.060 -23.865 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -2.425 -3.336 -22.340 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -5.724 -0.657 -21.513 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -1.934 -3.428 -19.936 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -5.121 -0.695 -19.148 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.218 -2.053 -18.360 1.00 25.00 H new ATOM 337 N VAL B 2 -6.976 -3.699 -22.243 1.00 25.00 N ATOM 338 CA VAL B 2 -8.255 -3.648 -21.504 1.00 25.00 C ATOM 339 C VAL B 2 -8.006 -2.863 -20.218 1.00 25.00 C ATOM 340 O VAL B 2 -7.083 -3.172 -19.482 1.00 25.00 O ATOM 341 CB VAL B 2 -8.783 -5.094 -21.115 1.00 25.00 C ATOM 342 CG1 VAL B 2 -10.139 -5.046 -20.330 1.00 25.00 C ATOM 343 CG2 VAL B 2 -8.961 -5.978 -22.384 1.00 25.00 C ATOM 0 H VAL B 2 -6.302 -4.355 -21.849 1.00 25.00 H new ATOM 0 HA VAL B 2 -9.008 -3.181 -22.139 1.00 25.00 H new ATOM 0 HB VAL B 2 -8.027 -5.530 -20.462 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -10.456 -6.061 -20.088 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -10.006 -4.478 -19.409 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -10.899 -4.566 -20.946 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -9.323 -6.964 -22.093 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -9.681 -5.510 -23.055 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -8.003 -6.080 -22.894 1.00 25.00 H new ATOM 353 N ASN B 3 -8.815 -1.870 -19.959 1.00 25.00 N ATOM 354 CA ASN B 3 -8.695 -1.107 -18.720 1.00 25.00 C ATOM 355 C ASN B 3 -9.538 -1.874 -17.715 1.00 25.00 C ATOM 356 O ASN B 3 -10.720 -2.104 -17.942 1.00 25.00 O ATOM 357 CB ASN B 3 -9.089 0.384 -18.922 1.00 25.00 C ATOM 358 CG ASN B 3 -10.544 0.571 -19.257 1.00 25.00 C ATOM 359 OD1 ASN B 3 -10.966 0.223 -20.326 1.00 25.00 O ATOM 360 ND2 ASN B 3 -11.293 1.199 -18.375 1.00 25.00 N ATOM 0 H ASN B 3 -9.565 -1.563 -20.579 1.00 25.00 H new ATOM 0 HA ASN B 3 -7.671 -1.028 -18.355 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -8.857 0.941 -18.014 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -8.481 0.809 -19.721 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -12.268 1.406 -18.589 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -10.898 1.479 -17.477 1.00 25.00 H new ATOM 367 N GLN B 4 -8.923 -2.251 -16.612 1.00 25.00 N ATOM 368 CA GLN B 4 -9.591 -3.016 -15.569 1.00 25.00 C ATOM 369 C GLN B 4 -8.803 -2.908 -14.294 1.00 25.00 C ATOM 370 O GLN B 4 -7.622 -2.454 -14.303 1.00 25.00 O ATOM 371 CB GLN B 4 -9.640 -4.476 -15.962 1.00 25.00 C ATOM 372 CG GLN B 4 -8.285 -5.106 -16.104 1.00 25.00 C ATOM 373 CD GLN B 4 -8.331 -6.497 -16.665 1.00 25.00 C ATOM 374 OE1 GLN B 4 -7.849 -6.730 -17.723 1.00 25.00 O ATOM 375 NE2 GLN B 4 -8.786 -7.446 -15.921 1.00 25.00 N ATOM 0 H GLN B 4 -7.946 -2.038 -16.410 1.00 25.00 H new ATOM 0 HA GLN B 4 -10.600 -2.626 -15.433 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -10.211 -5.026 -15.214 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -10.177 -4.572 -16.906 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -7.668 -4.482 -16.750 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -7.800 -5.131 -15.128 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -9.198 -7.230 -15.013 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -8.734 -8.413 -16.240 1.00 25.00 H new ATOM 384 N HIS B 5 -9.365 -3.395 -13.225 1.00 25.00 N ATOM 385 CA HIS B 5 -8.682 -3.468 -11.953 1.00 25.00 C ATOM 386 C HIS B 5 -7.630 -4.545 -12.073 1.00 25.00 C ATOM 387 O HIS B 5 -7.831 -5.544 -12.737 1.00 25.00 O ATOM 388 CB HIS B 5 -9.683 -3.869 -10.885 1.00 25.00 C ATOM 389 CG HIS B 5 -10.765 -2.861 -10.629 1.00 25.00 C ATOM 390 ND1 HIS B 5 -10.501 -1.628 -10.031 1.00 25.00 N ATOM 391 CD2 HIS B 5 -12.113 -2.870 -10.776 1.00 25.00 C ATOM 392 CE1 HIS B 5 -11.665 -0.989 -9.826 1.00 25.00 C ATOM 393 NE2 HIS B 5 -12.626 -1.712 -10.274 1.00 25.00 N ATOM 0 H HIS B 5 -10.318 -3.757 -13.205 1.00 25.00 H new ATOM 0 HA HIS B 5 -8.232 -2.511 -11.689 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -10.145 -4.812 -11.176 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -9.147 -4.051 -9.954 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -9.577 -1.271 -9.789 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -12.689 -3.668 -11.220 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.774 -0.021 -9.359 1.00 25.00 H new ATOM 402 N LEU B 6 -6.523 -4.408 -11.389 1.00 25.00 N ATOM 403 CA LEU B 6 -5.465 -5.428 -11.461 1.00 25.00 C ATOM 404 C LEU B 6 -5.043 -5.791 -10.060 1.00 25.00 C ATOM 405 O LEU B 6 -4.713 -4.942 -9.254 1.00 25.00 O ATOM 406 CB LEU B 6 -4.270 -4.901 -12.225 1.00 25.00 C ATOM 407 CG LEU B 6 -4.468 -4.449 -13.674 1.00 25.00 C ATOM 408 CD1 LEU B 6 -3.178 -3.778 -14.108 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.840 -5.582 -14.637 1.00 25.00 C ATOM 0 H LEU B 6 -6.316 -3.617 -10.779 1.00 25.00 H new ATOM 0 HA LEU B 6 -5.849 -6.306 -11.980 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.867 -4.056 -11.667 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -3.506 -5.679 -12.222 1.00 25.00 H new ATOM 0 HG LEU B 6 -5.317 -3.766 -13.711 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -3.274 -3.438 -15.139 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -2.977 -2.924 -13.462 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -2.355 -4.489 -14.035 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -4.963 -5.179 -15.642 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -4.049 -6.331 -14.640 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -5.774 -6.042 -14.314 1.00 25.00 H new ATOM 421 N CYS B 7 -5.144 -7.077 -9.763 1.00 25.00 N ATOM 422 CA CYS B 7 -4.877 -7.599 -8.445 1.00 25.00 C ATOM 423 C CYS B 7 -4.189 -8.952 -8.515 1.00 25.00 C ATOM 424 O CYS B 7 -4.320 -9.672 -9.558 1.00 25.00 O ATOM 425 CB CYS B 7 -6.199 -7.757 -7.708 1.00 25.00 C ATOM 426 SG CYS B 7 -6.168 -7.139 -5.991 1.00 25.00 S ATOM 0 H CYS B 7 -5.417 -7.789 -10.441 1.00 25.00 H new ATOM 0 HA CYS B 7 -4.218 -6.905 -7.923 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -6.977 -7.229 -8.260 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -6.475 -8.811 -7.699 1.00 25.00 H new ATOM 431 N GLY B 8 -3.438 -9.311 -7.482 1.00 25.00 N ATOM 432 CA GLY B 8 -2.690 -10.574 -7.552 1.00 25.00 C ATOM 433 C GLY B 8 -1.754 -10.480 -8.753 1.00 25.00 C ATOM 434 O GLY B 8 -1.246 -9.388 -9.046 1.00 25.00 O ATOM 0 H GLY B 8 -3.327 -8.778 -6.619 1.00 25.00 H new ATOM 0 HA2 GLY B 8 -2.124 -10.737 -6.635 1.00 25.00 H new ATOM 0 HA3 GLY B 8 -3.371 -11.418 -7.660 1.00 25.00 H new ATOM 438 N SER B 9 -1.615 -11.590 -9.504 1.00 25.00 N ATOM 439 CA SER B 9 -0.712 -11.645 -10.596 1.00 25.00 C ATOM 440 C SER B 9 -1.102 -10.908 -11.833 1.00 25.00 C ATOM 441 O SER B 9 -0.313 -10.815 -12.778 1.00 25.00 O ATOM 442 CB SER B 9 -0.502 -13.135 -10.978 1.00 25.00 C ATOM 443 OG SER B 9 -0.301 -13.911 -9.792 1.00 25.00 O ATOM 0 H SER B 9 -2.137 -12.452 -9.346 1.00 25.00 H new ATOM 0 HA SER B 9 0.186 -11.142 -10.237 1.00 25.00 H new ATOM 0 HB2 SER B 9 -1.369 -13.506 -11.525 1.00 25.00 H new ATOM 0 HB3 SER B 9 0.359 -13.234 -11.639 1.00 25.00 H new ATOM 0 HG SER B 9 -0.170 -14.851 -10.035 1.00 25.00 H new ATOM 449 N HIS B 10 -2.292 -10.297 -11.835 1.00 25.00 N ATOM 450 CA HIS B 10 -2.734 -9.547 -13.003 1.00 25.00 C ATOM 451 C HIS B 10 -1.728 -8.353 -13.288 1.00 25.00 C ATOM 452 O HIS B 10 -1.557 -7.909 -14.417 1.00 25.00 O ATOM 453 CB HIS B 10 -4.158 -9.035 -12.821 1.00 25.00 C ATOM 454 CG HIS B 10 -5.225 -10.085 -12.943 1.00 25.00 C ATOM 455 ND1 HIS B 10 -6.196 -10.083 -13.940 1.00 25.00 N ATOM 456 CD2 HIS B 10 -5.504 -11.180 -12.193 1.00 25.00 C ATOM 457 CE1 HIS B 10 -6.985 -11.141 -13.770 1.00 25.00 C ATOM 458 NE2 HIS B 10 -6.600 -11.803 -12.720 1.00 25.00 N ATOM 0 H HIS B 10 -2.950 -10.309 -11.056 1.00 25.00 H new ATOM 0 HA HIS B 10 -2.737 -10.214 -13.865 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -4.238 -8.568 -11.840 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -4.347 -8.257 -13.561 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -4.952 -11.505 -11.324 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -7.816 -11.408 -14.406 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -7.041 -12.645 -12.351 1.00 25.00 H new ATOM 467 N LEU B 11 -1.114 -7.832 -12.215 1.00 25.00 N ATOM 468 CA LEU B 11 -0.243 -6.652 -12.296 1.00 25.00 C ATOM 469 C LEU B 11 0.992 -6.954 -13.063 1.00 25.00 C ATOM 470 O LEU B 11 1.312 -6.238 -14.032 1.00 25.00 O ATOM 471 CB LEU B 11 0.110 -6.114 -10.925 1.00 25.00 C ATOM 472 CG LEU B 11 -0.702 -4.939 -10.368 1.00 25.00 C ATOM 473 CD1 LEU B 11 -1.443 -5.326 -9.182 1.00 25.00 C ATOM 474 CD2 LEU B 11 0.274 -3.732 -10.129 1.00 25.00 C ATOM 0 H LEU B 11 -1.207 -8.214 -11.274 1.00 25.00 H new ATOM 0 HA LEU B 11 -0.803 -5.879 -12.823 1.00 25.00 H new ATOM 0 HB2 LEU B 11 0.031 -6.938 -10.215 1.00 25.00 H new ATOM 0 HB3 LEU B 11 1.157 -5.812 -10.947 1.00 25.00 H new ATOM 0 HG LEU B 11 -1.460 -4.626 -11.086 1.00 25.00 H new ATOM 0 HD11 LEU B 11 -2.008 -4.471 -8.811 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -2.130 -6.135 -9.430 1.00 25.00 H new ATOM 0 HD13 LEU B 11 -0.748 -5.663 -8.413 1.00 25.00 H new ATOM 0 HD21 LEU B 11 -0.285 -2.885 -9.732 1.00 25.00 H new ATOM 0 HD22 LEU B 11 1.045 -4.023 -9.416 1.00 25.00 H new ATOM 0 HD23 LEU B 11 0.740 -3.449 -11.073 1.00 25.00 H new ATOM 486 N VAL B 12 1.633 -8.045 -12.682 1.00 25.00 N ATOM 487 CA VAL B 12 2.872 -8.489 -13.299 1.00 25.00 C ATOM 488 C VAL B 12 2.666 -9.044 -14.683 1.00 25.00 C ATOM 489 O VAL B 12 3.477 -8.881 -15.556 1.00 25.00 O ATOM 490 CB VAL B 12 3.632 -9.487 -12.391 1.00 25.00 C ATOM 491 CG1 VAL B 12 4.068 -8.812 -11.095 1.00 25.00 C ATOM 492 CG2 VAL B 12 2.838 -10.723 -12.055 1.00 25.00 C ATOM 0 H VAL B 12 1.307 -8.652 -11.930 1.00 25.00 H new ATOM 0 HA VAL B 12 3.496 -7.603 -13.413 1.00 25.00 H new ATOM 0 HB VAL B 12 4.500 -9.804 -12.968 1.00 25.00 H new ATOM 0 HG11 VAL B 12 4.600 -9.531 -10.472 1.00 25.00 H new ATOM 0 HG12 VAL B 12 4.726 -7.974 -11.325 1.00 25.00 H new ATOM 0 HG13 VAL B 12 3.190 -8.448 -10.561 1.00 25.00 H new ATOM 0 HG21 VAL B 12 3.433 -11.376 -11.417 1.00 25.00 H new ATOM 0 HG22 VAL B 12 1.925 -10.438 -11.532 1.00 25.00 H new ATOM 0 HG23 VAL B 12 2.580 -11.251 -12.973 1.00 25.00 H new ATOM 502 N GLU B 13 1.489 -9.573 -14.954 1.00 25.00 N ATOM 503 CA GLU B 13 1.163 -9.959 -16.327 1.00 25.00 C ATOM 504 C GLU B 13 0.971 -8.721 -17.213 1.00 25.00 C ATOM 505 O GLU B 13 1.455 -8.769 -18.379 1.00 25.00 O ATOM 506 CB GLU B 13 -0.126 -10.822 -16.339 1.00 25.00 C ATOM 507 CG GLU B 13 0.120 -12.328 -16.018 1.00 25.00 C ATOM 508 CD GLU B 13 0.868 -13.027 -17.113 1.00 25.00 C ATOM 509 OE1 GLU B 13 2.020 -13.173 -17.119 1.00 25.00 O ATOM 510 OE2 GLU B 13 0.120 -13.486 -18.063 1.00 25.00 O ATOM 0 H GLU B 13 0.755 -9.745 -14.267 1.00 25.00 H new ATOM 0 HA GLU B 13 1.993 -10.541 -16.727 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -0.830 -10.416 -15.613 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -0.597 -10.741 -17.319 1.00 25.00 H new ATOM 0 HG2 GLU B 13 0.680 -12.412 -15.087 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -0.837 -12.825 -15.860 1.00 25.00 H new ATOM 518 N ALA B 14 0.339 -7.649 -16.694 1.00 25.00 N ATOM 519 CA ALA B 14 0.100 -6.434 -17.459 1.00 25.00 C ATOM 520 C ALA B 14 1.477 -5.794 -17.735 1.00 25.00 C ATOM 521 O ALA B 14 1.769 -5.316 -18.851 1.00 25.00 O ATOM 522 CB ALA B 14 -0.811 -5.432 -16.682 1.00 25.00 C ATOM 0 H ALA B 14 -0.014 -7.612 -15.738 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.419 -6.677 -18.386 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -0.966 -4.538 -17.286 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -1.773 -5.901 -16.474 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -0.331 -5.157 -15.743 1.00 25.00 H new ATOM 528 N LEU B 15 2.299 -5.814 -16.727 1.00 25.00 N ATOM 529 CA LEU B 15 3.653 -5.299 -16.855 1.00 25.00 C ATOM 530 C LEU B 15 4.477 -6.141 -17.830 1.00 25.00 C ATOM 531 O LEU B 15 5.201 -5.582 -18.662 1.00 25.00 O ATOM 532 CB LEU B 15 4.362 -5.256 -15.506 1.00 25.00 C ATOM 533 CG LEU B 15 3.794 -4.250 -14.510 1.00 25.00 C ATOM 534 CD1 LEU B 15 4.423 -4.540 -13.101 1.00 25.00 C ATOM 535 CD2 LEU B 15 4.022 -2.840 -14.957 1.00 25.00 C ATOM 0 H LEU B 15 2.067 -6.179 -15.803 1.00 25.00 H new ATOM 0 HA LEU B 15 3.569 -4.284 -17.243 1.00 25.00 H new ATOM 0 HB2 LEU B 15 4.321 -6.249 -15.059 1.00 25.00 H new ATOM 0 HB3 LEU B 15 5.414 -5.025 -15.673 1.00 25.00 H new ATOM 0 HG LEU B 15 2.712 -4.364 -14.447 1.00 25.00 H new ATOM 0 HD11 LEU B 15 4.029 -3.830 -12.374 1.00 25.00 H new ATOM 0 HD12 LEU B 15 4.171 -5.554 -12.792 1.00 25.00 H new ATOM 0 HD13 LEU B 15 5.507 -4.437 -13.158 1.00 25.00 H new ATOM 0 HD21 LEU B 15 3.603 -2.153 -14.222 1.00 25.00 H new ATOM 0 HD22 LEU B 15 5.092 -2.658 -15.056 1.00 25.00 H new ATOM 0 HD23 LEU B 15 3.537 -2.681 -15.920 1.00 25.00 H new ATOM 547 N TYR B 16 4.378 -7.472 -17.772 1.00 25.00 N ATOM 548 CA TYR B 16 5.142 -8.337 -18.696 1.00 25.00 C ATOM 549 C TYR B 16 4.786 -7.993 -20.123 1.00 25.00 C ATOM 550 O TYR B 16 5.677 -7.856 -20.973 1.00 25.00 O ATOM 551 CB TYR B 16 4.799 -9.839 -18.422 1.00 25.00 C ATOM 552 CG TYR B 16 5.356 -10.738 -19.502 1.00 25.00 C ATOM 553 CD1 TYR B 16 6.713 -10.976 -19.644 1.00 25.00 C ATOM 554 CD2 TYR B 16 4.480 -11.312 -20.466 1.00 25.00 C ATOM 555 CE1 TYR B 16 7.215 -11.783 -20.708 1.00 25.00 C ATOM 556 CE2 TYR B 16 4.964 -12.088 -21.530 1.00 25.00 C ATOM 557 CZ TYR B 16 6.313 -12.303 -21.644 1.00 25.00 C ATOM 558 OH TYR B 16 6.752 -13.041 -22.714 1.00 25.00 O ATOM 0 H TYR B 16 3.788 -7.975 -17.109 1.00 25.00 H new ATOM 0 HA TYR B 16 6.208 -8.176 -18.537 1.00 25.00 H new ATOM 0 HB2 TYR B 16 5.204 -10.136 -17.455 1.00 25.00 H new ATOM 0 HB3 TYR B 16 3.717 -9.962 -18.366 1.00 25.00 H new ATOM 0 HD1 TYR B 16 7.404 -10.543 -18.936 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.417 -11.146 -20.376 1.00 25.00 H new ATOM 0 HE1 TYR B 16 8.272 -11.989 -20.790 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.281 -12.511 -22.252 1.00 25.00 H new ATOM 0 HH TYR B 16 5.985 -13.320 -23.256 1.00 25.00 H new ATOM 568 N LEU B 17 3.522 -7.816 -20.367 1.00 25.00 N ATOM 569 CA LEU B 17 3.061 -7.457 -21.720 1.00 25.00 C ATOM 570 C LEU B 17 3.451 -6.018 -22.115 1.00 25.00 C ATOM 571 O LEU B 17 3.778 -5.756 -23.223 1.00 25.00 O ATOM 572 CB LEU B 17 1.558 -7.602 -21.801 1.00 25.00 C ATOM 573 CG LEU B 17 0.965 -9.005 -21.661 1.00 25.00 C ATOM 574 CD1 LEU B 17 -0.547 -8.887 -21.556 1.00 25.00 C ATOM 575 CD2 LEU B 17 1.377 -9.920 -22.785 1.00 25.00 C ATOM 0 H LEU B 17 2.782 -7.908 -19.671 1.00 25.00 H new ATOM 0 HA LEU B 17 3.552 -8.137 -22.417 1.00 25.00 H new ATOM 0 HB2 LEU B 17 1.119 -6.975 -21.025 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.234 -7.196 -22.760 1.00 25.00 H new ATOM 0 HG LEU B 17 1.359 -9.463 -20.754 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -0.983 -9.881 -21.456 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -0.805 -8.287 -20.683 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -0.938 -8.408 -22.454 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.929 -10.903 -22.637 1.00 25.00 H new ATOM 0 HD22 LEU B 17 1.038 -9.506 -23.734 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.463 -10.015 -22.798 1.00 25.00 H new ATOM 587 N VAL B 18 3.388 -5.060 -21.184 1.00 25.00 N ATOM 588 CA VAL B 18 3.675 -3.662 -21.576 1.00 25.00 C ATOM 589 C VAL B 18 5.157 -3.400 -21.755 1.00 25.00 C ATOM 590 O VAL B 18 5.581 -2.555 -22.543 1.00 25.00 O ATOM 591 CB VAL B 18 3.056 -2.610 -20.552 1.00 25.00 C ATOM 592 CG1 VAL B 18 3.923 -2.348 -19.294 1.00 25.00 C ATOM 593 CG2 VAL B 18 2.781 -1.261 -21.252 1.00 25.00 C ATOM 0 H VAL B 18 3.154 -5.205 -20.202 1.00 25.00 H new ATOM 0 HA VAL B 18 3.191 -3.526 -22.543 1.00 25.00 H new ATOM 0 HB VAL B 18 2.129 -3.070 -20.210 1.00 25.00 H new ATOM 0 HG11 VAL B 18 3.425 -1.620 -18.654 1.00 25.00 H new ATOM 0 HG12 VAL B 18 4.059 -3.280 -18.746 1.00 25.00 H new ATOM 0 HG13 VAL B 18 4.895 -1.960 -19.597 1.00 25.00 H new ATOM 0 HG21 VAL B 18 2.359 -0.558 -20.534 1.00 25.00 H new ATOM 0 HG22 VAL B 18 3.714 -0.859 -21.647 1.00 25.00 H new ATOM 0 HG23 VAL B 18 2.076 -1.412 -22.069 1.00 25.00 H new ATOM 603 N CYS B 19 5.974 -4.132 -20.990 1.00 25.00 N ATOM 604 CA CYS B 19 7.424 -3.975 -21.007 1.00 25.00 C ATOM 605 C CYS B 19 8.107 -4.959 -21.979 1.00 25.00 C ATOM 606 O CYS B 19 8.795 -4.566 -22.904 1.00 25.00 O ATOM 607 CB CYS B 19 7.940 -4.159 -19.568 1.00 25.00 C ATOM 608 SG CYS B 19 7.506 -2.843 -18.348 1.00 25.00 S ATOM 0 H CYS B 19 5.644 -4.849 -20.343 1.00 25.00 H new ATOM 0 HA CYS B 19 7.673 -2.978 -21.371 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.561 -5.109 -19.191 1.00 25.00 H new ATOM 0 HB3 CYS B 19 9.026 -4.241 -19.605 1.00 25.00 H new ATOM 613 N GLY B 20 7.960 -6.248 -21.737 1.00 25.00 N ATOM 614 CA GLY B 20 8.633 -7.228 -22.559 1.00 25.00 C ATOM 615 C GLY B 20 10.063 -7.404 -22.074 1.00 25.00 C ATOM 616 O GLY B 20 11.006 -6.828 -22.652 1.00 25.00 O ATOM 0 H GLY B 20 7.387 -6.635 -20.987 1.00 25.00 H new ATOM 0 HA2 GLY B 20 8.104 -8.180 -22.515 1.00 25.00 H new ATOM 0 HA3 GLY B 20 8.628 -6.908 -23.601 1.00 25.00 H new ATOM 620 N GLU B 21 10.198 -8.121 -20.942 1.00 25.00 N ATOM 621 CA GLU B 21 11.478 -8.392 -20.252 1.00 25.00 C ATOM 622 C GLU B 21 12.201 -7.151 -19.650 1.00 25.00 C ATOM 623 O GLU B 21 12.915 -7.304 -18.710 1.00 25.00 O ATOM 624 CB GLU B 21 12.428 -9.171 -21.153 1.00 25.00 C ATOM 625 CG GLU B 21 11.791 -10.426 -21.818 1.00 25.00 C ATOM 626 CD GLU B 21 12.741 -11.119 -22.742 1.00 25.00 C ATOM 627 OE1 GLU B 21 12.992 -12.266 -22.679 1.00 25.00 O ATOM 628 OE2 GLU B 21 13.177 -10.389 -23.710 1.00 25.00 O ATOM 0 H GLU B 21 9.398 -8.540 -20.467 1.00 25.00 H new ATOM 0 HA GLU B 21 11.192 -8.994 -19.390 1.00 25.00 H new ATOM 0 HB2 GLU B 21 12.796 -8.507 -21.935 1.00 25.00 H new ATOM 0 HB3 GLU B 21 13.292 -9.483 -20.567 1.00 25.00 H new ATOM 0 HG2 GLU B 21 11.468 -11.121 -21.043 1.00 25.00 H new ATOM 0 HG3 GLU B 21 10.900 -10.129 -22.371 1.00 25.00 H new ATOM 636 N ARG B 22 11.959 -5.936 -20.149 1.00 25.00 N ATOM 637 CA ARG B 22 12.599 -4.724 -19.631 1.00 25.00 C ATOM 638 C ARG B 22 11.862 -4.061 -18.482 1.00 25.00 C ATOM 639 O ARG B 22 11.909 -2.844 -18.382 1.00 25.00 O ATOM 640 CB ARG B 22 12.800 -3.695 -20.796 1.00 25.00 C ATOM 641 CG ARG B 22 11.526 -3.115 -21.422 1.00 25.00 C ATOM 642 CD ARG B 22 11.705 -2.617 -22.863 1.00 25.00 C ATOM 643 NE ARG B 22 11.905 -3.762 -23.757 1.00 25.00 N ATOM 644 CZ ARG B 22 11.777 -3.755 -25.084 1.00 25.00 C ATOM 645 NH1 ARG B 22 11.482 -2.648 -25.779 1.00 25.00 N ATOM 646 NH2 ARG B 22 11.955 -4.849 -25.749 1.00 25.00 N ATOM 0 H ARG B 22 11.315 -5.765 -20.922 1.00 25.00 H new ATOM 0 HA ARG B 22 13.557 -5.045 -19.221 1.00 25.00 H new ATOM 0 HB2 ARG B 22 13.403 -2.868 -20.421 1.00 25.00 H new ATOM 0 HB3 ARG B 22 13.377 -4.179 -21.583 1.00 25.00 H new ATOM 0 HG2 ARG B 22 10.747 -3.878 -21.407 1.00 25.00 H new ATOM 0 HG3 ARG B 22 11.175 -2.288 -20.804 1.00 25.00 H new ATOM 0 HD2 ARG B 22 10.828 -2.049 -23.174 1.00 25.00 H new ATOM 0 HD3 ARG B 22 12.559 -1.943 -22.922 1.00 25.00 H new ATOM 0 HE ARG B 22 12.167 -4.647 -23.323 1.00 25.00 H new ATOM 0 HH11 ARG B 22 11.345 -1.762 -25.293 1.00 25.00 H new ATOM 0 HH12 ARG B 22 11.394 -2.692 -26.794 1.00 25.00 H new ATOM 0 HH21 ARG B 22 12.192 -5.711 -25.258 1.00 25.00 H new ATOM 0 HH22 ARG B 22 11.858 -4.850 -26.764 1.00 25.00 H new ATOM 660 N GLY B 23 11.163 -4.847 -17.680 1.00 25.00 N ATOM 661 CA GLY B 23 10.328 -4.279 -16.631 1.00 25.00 C ATOM 662 C GLY B 23 10.666 -4.690 -15.220 1.00 25.00 C ATOM 663 O GLY B 23 11.836 -4.847 -14.886 1.00 25.00 O ATOM 0 H GLY B 23 11.155 -5.866 -17.732 1.00 25.00 H new ATOM 0 HA2 GLY B 23 10.387 -3.193 -16.696 1.00 25.00 H new ATOM 0 HA3 GLY B 23 9.292 -4.554 -16.830 1.00 25.00 H new ATOM 667 N PHE B 24 9.660 -4.900 -14.407 1.00 25.00 N ATOM 668 CA PHE B 24 9.793 -5.363 -13.032 1.00 25.00 C ATOM 669 C PHE B 24 10.569 -6.643 -12.808 1.00 25.00 C ATOM 670 O PHE B 24 10.882 -7.369 -13.750 1.00 25.00 O ATOM 671 CB PHE B 24 8.368 -5.602 -12.553 1.00 25.00 C ATOM 672 CG PHE B 24 7.725 -6.805 -13.203 1.00 25.00 C ATOM 673 CD1 PHE B 24 7.308 -6.776 -14.544 1.00 25.00 C ATOM 674 CD2 PHE B 24 7.660 -7.981 -12.458 1.00 25.00 C ATOM 675 CE1 PHE B 24 6.694 -7.932 -15.112 1.00 25.00 C ATOM 676 CE2 PHE B 24 7.060 -9.171 -13.018 1.00 25.00 C ATOM 677 CZ PHE B 24 6.593 -9.128 -14.344 1.00 25.00 C ATOM 0 H PHE B 24 8.690 -4.751 -14.686 1.00 25.00 H new ATOM 0 HA PHE B 24 10.364 -4.603 -12.498 1.00 25.00 H new ATOM 0 HB2 PHE B 24 8.371 -5.738 -11.471 1.00 25.00 H new ATOM 0 HB3 PHE B 24 7.766 -4.717 -12.762 1.00 25.00 H new ATOM 0 HD1 PHE B 24 7.451 -5.887 -15.140 1.00 25.00 H new ATOM 0 HD2 PHE B 24 8.061 -8.003 -11.455 1.00 25.00 H new ATOM 0 HE1 PHE B 24 6.307 -7.901 -16.120 1.00 25.00 H new ATOM 0 HE2 PHE B 24 6.972 -10.073 -12.431 1.00 25.00 H new ATOM 0 HZ PHE B 24 6.153 -10.011 -14.785 1.00 25.00 H new ATOM 687 N PHE B 25 10.773 -6.954 -11.532 1.00 25.00 N ATOM 688 CA PHE B 25 11.421 -8.209 -11.083 1.00 25.00 C ATOM 689 C PHE B 25 10.527 -8.830 -10.059 1.00 25.00 C ATOM 690 O PHE B 25 10.172 -8.187 -9.093 1.00 25.00 O ATOM 691 CB PHE B 25 12.775 -7.937 -10.419 1.00 25.00 C ATOM 692 CG PHE B 25 13.567 -9.174 -10.167 1.00 25.00 C ATOM 693 CD1 PHE B 25 13.279 -10.029 -9.083 1.00 25.00 C ATOM 694 CD2 PHE B 25 14.590 -9.509 -11.041 1.00 25.00 C ATOM 695 CE1 PHE B 25 14.028 -11.226 -8.861 1.00 25.00 C ATOM 696 CE2 PHE B 25 15.303 -10.706 -10.881 1.00 25.00 C ATOM 697 CZ PHE B 25 15.039 -11.580 -9.765 1.00 25.00 C ATOM 0 H PHE B 25 10.495 -6.344 -10.763 1.00 25.00 H new ATOM 0 HA PHE B 25 11.582 -8.854 -11.947 1.00 25.00 H new ATOM 0 HB2 PHE B 25 13.354 -7.266 -11.053 1.00 25.00 H new ATOM 0 HB3 PHE B 25 12.611 -7.420 -9.474 1.00 25.00 H new ATOM 0 HD1 PHE B 25 12.476 -9.774 -8.407 1.00 25.00 H new ATOM 0 HD2 PHE B 25 14.840 -8.842 -11.853 1.00 25.00 H new ATOM 0 HE1 PHE B 25 13.817 -11.851 -8.006 1.00 25.00 H new ATOM 0 HE2 PHE B 25 16.059 -10.977 -11.603 1.00 25.00 H new ATOM 0 HZ PHE B 25 15.608 -12.488 -9.629 1.00 25.00 H new HETATM 707 N NVA B 26 10.191 -10.134 -10.276 1.00 25.00 N HETATM 708 CA NVA B 26 9.370 -11.012 -9.424 1.00 25.00 C HETATM 709 CB NVA B 26 8.051 -11.342 -10.132 1.00 25.00 C HETATM 710 CG NVA B 26 6.980 -11.950 -9.149 1.00 25.00 C HETATM 711 CD NVA B 26 5.632 -12.257 -9.874 1.00 25.00 C HETATM 712 C NVA B 26 10.126 -12.281 -9.037 1.00 25.00 C HETATM 713 O NVA B 26 10.865 -12.847 -9.814 1.00 25.00 O HETATM 0 HG3 NVA B 26 7.372 -12.866 -8.707 1.00 25.00 H new HETATM 0 HG2 NVA B 26 6.801 -11.253 -8.330 1.00 25.00 H new HETATM 0 HD3 NVA B 26 5.226 -11.336 -10.293 1.00 25.00 H new HETATM 0 HB3 NVA B 26 7.650 -10.437 -10.588 1.00 25.00 H new HETATM 0 HB2 NVA B 26 8.242 -12.048 -10.940 1.00 25.00 H new HETATM 0 HA NVA B 26 9.144 -10.482 -8.499 1.00 25.00 H new ATOM 722 N THR B 27 9.994 -12.654 -7.766 1.00 25.00 N ATOM 723 CA THR B 27 10.598 -13.869 -7.217 1.00 25.00 C ATOM 724 C THR B 27 9.858 -15.033 -7.822 1.00 25.00 C ATOM 725 O THR B 27 8.712 -14.845 -8.248 1.00 25.00 O ATOM 726 CB THR B 27 10.421 -13.867 -5.679 1.00 25.00 C ATOM 727 OG1 THR B 27 9.065 -13.621 -5.333 1.00 25.00 O ATOM 728 CG2 THR B 27 11.295 -12.745 -5.033 1.00 25.00 C ATOM 0 H THR B 27 9.461 -12.118 -7.081 1.00 25.00 H new ATOM 0 HA THR B 27 11.662 -13.930 -7.444 1.00 25.00 H new ATOM 0 HB THR B 27 10.729 -14.845 -5.309 1.00 25.00 H new ATOM 0 HG1 THR B 27 8.970 -13.625 -4.358 1.00 25.00 H new ATOM 0 HG21 THR B 27 11.160 -12.756 -3.951 1.00 25.00 H new ATOM 0 HG22 THR B 27 12.345 -12.920 -5.269 1.00 25.00 H new ATOM 0 HG23 THR B 27 10.991 -11.775 -5.427 1.00 25.00 H new ATOM 736 N PRO B 28 10.449 -16.230 -7.908 1.00 25.00 N ATOM 737 CA PRO B 28 9.698 -17.325 -8.534 1.00 25.00 C ATOM 738 C PRO B 28 8.242 -17.486 -8.050 1.00 25.00 C ATOM 739 O PRO B 28 7.969 -17.486 -6.846 1.00 25.00 O ATOM 740 CB PRO B 28 10.539 -18.575 -8.209 1.00 25.00 C ATOM 741 CG PRO B 28 11.929 -18.052 -8.093 1.00 25.00 C ATOM 742 CD PRO B 28 11.775 -16.667 -7.457 1.00 25.00 C ATOM 0 HA PRO B 28 9.571 -17.135 -9.600 1.00 25.00 H new ATOM 0 HB2 PRO B 28 10.211 -19.047 -7.283 1.00 25.00 H new ATOM 0 HB3 PRO B 28 10.459 -19.326 -8.995 1.00 25.00 H new ATOM 0 HG2 PRO B 28 12.547 -18.704 -7.476 1.00 25.00 H new ATOM 0 HG3 PRO B 28 12.410 -17.988 -9.069 1.00 25.00 H new ATOM 0 HD2 PRO B 28 11.834 -16.716 -6.370 1.00 25.00 H new ATOM 0 HD3 PRO B 28 12.557 -15.984 -7.788 1.00 25.00 H new HETATM 750 N HIX B 29 7.318 -17.623 -9.068 1.00 25.00 N HETATM 751 CA HIX B 29 5.838 -17.726 -8.858 1.00 25.00 C HETATM 752 C HIX B 29 5.467 -19.144 -8.408 1.00 25.00 C HETATM 753 O HIX B 29 5.468 -20.098 -9.152 1.00 25.00 O HETATM 754 CB HIX B 29 5.039 -17.314 -10.110 1.00 25.00 C HETATM 755 CG HIX B 29 5.041 -15.814 -10.341 1.00 25.00 C HETATM 756 CD2 HIX B 29 5.674 -14.834 -9.579 1.00 25.00 C HETATM 757 ND1 HIX B 29 4.407 -15.116 -11.378 1.00 25.00 N HETATM 758 NE1 HIX B 29 4.576 -13.728 -11.327 1.00 25.00 N HETATM 759 NE2 HIX B 29 5.386 -13.653 -10.197 1.00 25.00 N ATOM 766 N THR B 30 5.120 -19.271 -7.107 1.00 25.00 N ATOM 767 CA THR B 30 4.772 -20.571 -6.396 1.00 25.00 C ATOM 768 C THR B 30 3.724 -20.321 -5.321 1.00 25.00 C ATOM 769 O THR B 30 3.887 -20.421 -4.120 1.00 25.00 O ATOM 770 CB THR B 30 6.035 -21.293 -5.798 1.00 25.00 C ATOM 771 OG1 THR B 30 7.171 -21.047 -6.651 1.00 25.00 O ATOM 772 CG2 THR B 30 5.862 -22.796 -5.730 1.00 25.00 C ATOM 773 OXT THR B 30 2.576 -19.944 -5.827 1.00 25.00 O ATOM 0 H THR B 30 5.066 -18.464 -6.486 1.00 25.00 H new ATOM 0 HA THR B 30 4.358 -21.247 -7.144 1.00 25.00 H new ATOM 0 HB THR B 30 6.175 -20.899 -4.791 1.00 25.00 H new ATOM 0 HG1 THR B 30 7.961 -21.494 -6.281 1.00 25.00 H new ATOM 0 HG21 THR B 30 6.761 -23.247 -5.310 1.00 25.00 H new ATOM 0 HG22 THR B 30 5.007 -23.036 -5.098 1.00 25.00 H new ATOM 0 HG23 THR B 30 5.693 -23.189 -6.733 1.00 25.00 H new TER 782 THR B 30