USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 427 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: A 49 THR OG1 : rot 106:sc= 0.794 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= 1.01 USER MOD Set 2.1: A 14 TYR OH : rot -52:sc= -0.448 USER MOD Set 2.2: A 16 THR OG1 : rot -73:sc= 0.58! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -108:sc= -0.577 (180deg=-2.65!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 30:sc= -0.117 USER MOD Single : A 7 ASN : amide:sc= -5.9! C(o=-5.9!,f=-13!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.044) USER MOD Single : A 11 ASN : amide:sc= -0.0766 X(o=-0.077,f=0.12) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 168:sc= -0.409 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.42 X(o=-1.4,f=-1.1) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 174:sc=-0.00754 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -2.12 USER MOD Single : A 55 GLN : amide:sc= -3.7! C(o=-3.7!,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.624 3.115 4.012 1.00 0.00 N ATOM 2 CA MET A 1 11.684 4.587 3.813 1.00 0.00 C ATOM 3 C MET A 1 11.062 4.984 2.471 1.00 0.00 C ATOM 4 O MET A 1 9.846 5.131 2.364 1.00 0.00 O ATOM 5 CB MET A 1 13.149 5.029 3.903 1.00 0.00 C ATOM 6 CG MET A 1 13.354 6.511 3.655 1.00 0.00 C ATOM 7 SD MET A 1 15.077 6.926 3.307 1.00 0.00 S ATOM 8 CE MET A 1 15.538 7.737 4.833 1.00 0.00 C ATOM 0 H1 MET A 1 10.915 2.892 4.739 1.00 0.00 H new ATOM 0 H2 MET A 1 11.360 2.654 3.118 1.00 0.00 H new ATOM 0 H3 MET A 1 12.555 2.768 4.319 1.00 0.00 H new ATOM 0 HA MET A 1 11.106 5.089 4.589 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.535 4.778 4.891 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.735 4.464 3.178 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.732 6.825 2.816 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.018 7.071 4.528 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.579 8.054 4.776 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.901 8.608 4.989 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.415 7.044 5.665 1.00 0.00 H new ATOM 20 N TYR A 2 11.894 5.147 1.449 1.00 0.00 N ATOM 21 CA TYR A 2 11.416 5.512 0.123 1.00 0.00 C ATOM 22 C TYR A 2 10.593 4.397 -0.508 1.00 0.00 C ATOM 23 O TYR A 2 11.045 3.744 -1.450 1.00 0.00 O ATOM 24 CB TYR A 2 12.617 5.828 -0.779 1.00 0.00 C ATOM 25 CG TYR A 2 13.712 4.774 -0.733 1.00 0.00 C ATOM 26 CD1 TYR A 2 13.493 3.521 -0.180 1.00 0.00 C ATOM 27 CD2 TYR A 2 14.978 5.046 -1.244 1.00 0.00 C ATOM 28 CE1 TYR A 2 14.490 2.569 -0.136 1.00 0.00 C ATOM 29 CE2 TYR A 2 15.981 4.094 -1.204 1.00 0.00 C ATOM 30 CZ TYR A 2 15.731 2.858 -0.648 1.00 0.00 C ATOM 31 OH TYR A 2 16.729 1.910 -0.607 1.00 0.00 O ATOM 0 H TYR A 2 12.905 5.032 1.515 1.00 0.00 H new ATOM 0 HA TYR A 2 10.774 6.387 0.226 1.00 0.00 H new ATOM 0 HB2 TYR A 2 12.270 5.934 -1.807 1.00 0.00 H new ATOM 0 HB3 TYR A 2 13.038 6.789 -0.484 1.00 0.00 H new ATOM 0 HD1 TYR A 2 12.520 3.286 0.225 1.00 0.00 H new ATOM 0 HD2 TYR A 2 15.180 6.014 -1.678 1.00 0.00 H new ATOM 0 HE1 TYR A 2 14.295 1.600 0.299 1.00 0.00 H new ATOM 0 HE2 TYR A 2 16.957 4.319 -1.607 1.00 0.00 H new ATOM 0 HH TYR A 2 17.544 2.275 -1.012 1.00 0.00 H new ATOM 41 N TYR A 3 9.384 4.165 0.002 1.00 0.00 N ATOM 42 CA TYR A 3 8.536 3.114 -0.548 1.00 0.00 C ATOM 43 C TYR A 3 7.208 3.678 -1.027 1.00 0.00 C ATOM 44 O TYR A 3 6.695 4.651 -0.474 1.00 0.00 O ATOM 45 CB TYR A 3 8.293 2.011 0.481 1.00 0.00 C ATOM 46 CG TYR A 3 9.524 1.185 0.796 1.00 0.00 C ATOM 47 CD1 TYR A 3 10.686 1.783 1.265 1.00 0.00 C ATOM 48 CD2 TYR A 3 9.520 -0.194 0.627 1.00 0.00 C ATOM 49 CE1 TYR A 3 11.811 1.031 1.555 1.00 0.00 C ATOM 50 CE2 TYR A 3 10.639 -0.952 0.916 1.00 0.00 C ATOM 51 CZ TYR A 3 11.780 -0.335 1.380 1.00 0.00 C ATOM 52 OH TYR A 3 12.897 -1.085 1.666 1.00 0.00 O ATOM 0 H TYR A 3 8.977 4.682 0.782 1.00 0.00 H new ATOM 0 HA TYR A 3 9.060 2.685 -1.402 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.924 2.462 1.402 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.508 1.350 0.113 1.00 0.00 H new ATOM 0 HD1 TYR A 3 10.712 2.853 1.406 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.628 -0.682 0.264 1.00 0.00 H new ATOM 0 HE1 TYR A 3 12.708 1.512 1.916 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.619 -2.023 0.779 1.00 0.00 H new ATOM 0 HH TYR A 3 13.409 -0.651 2.380 1.00 0.00 H new ATOM 62 N LEU A 4 6.657 3.055 -2.059 1.00 0.00 N ATOM 63 CA LEU A 4 5.382 3.484 -2.626 1.00 0.00 C ATOM 64 C LEU A 4 4.454 2.291 -2.787 1.00 0.00 C ATOM 65 O LEU A 4 4.894 1.207 -3.170 1.00 0.00 O ATOM 66 CB LEU A 4 5.614 4.167 -3.982 1.00 0.00 C ATOM 67 CG LEU A 4 4.360 4.432 -4.829 1.00 0.00 C ATOM 68 CD1 LEU A 4 3.892 3.156 -5.512 1.00 0.00 C ATOM 69 CD2 LEU A 4 3.243 5.020 -3.979 1.00 0.00 C ATOM 0 H LEU A 4 7.073 2.248 -2.524 1.00 0.00 H new ATOM 0 HA LEU A 4 4.915 4.199 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.116 5.118 -3.805 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.297 3.549 -4.565 1.00 0.00 H new ATOM 0 HG LEU A 4 4.622 5.159 -5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 4 3.003 3.367 -6.106 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.682 2.780 -6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.655 2.406 -4.758 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.367 5.198 -4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.986 4.322 -3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 4 3.575 5.962 -3.542 1.00 0.00 H new ATOM 81 N VAL A 5 3.168 2.481 -2.504 1.00 0.00 N ATOM 82 CA VAL A 5 2.215 1.389 -2.644 1.00 0.00 C ATOM 83 C VAL A 5 1.099 1.743 -3.615 1.00 0.00 C ATOM 84 O VAL A 5 0.705 2.899 -3.720 1.00 0.00 O ATOM 85 CB VAL A 5 1.587 0.959 -1.294 1.00 0.00 C ATOM 86 CG1 VAL A 5 0.479 1.885 -0.852 1.00 0.00 C ATOM 87 CG2 VAL A 5 1.044 -0.438 -1.418 1.00 0.00 C ATOM 0 H VAL A 5 2.769 3.363 -2.183 1.00 0.00 H new ATOM 0 HA VAL A 5 2.791 0.550 -3.035 1.00 0.00 H new ATOM 0 HB VAL A 5 2.373 1.003 -0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.073 1.539 0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.874 2.894 -0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.311 1.891 -1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.602 -0.742 -0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.283 -0.465 -2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.853 -1.121 -1.677 1.00 0.00 H new ATOM 97 N VAL A 6 0.588 0.732 -4.309 1.00 0.00 N ATOM 98 CA VAL A 6 -0.497 0.916 -5.253 1.00 0.00 C ATOM 99 C VAL A 6 -1.534 -0.192 -5.105 1.00 0.00 C ATOM 100 O VAL A 6 -1.263 -1.364 -5.360 1.00 0.00 O ATOM 101 CB VAL A 6 0.029 0.957 -6.703 1.00 0.00 C ATOM 102 CG1 VAL A 6 1.183 1.940 -6.822 1.00 0.00 C ATOM 103 CG2 VAL A 6 0.468 -0.425 -7.153 1.00 0.00 C ATOM 0 H VAL A 6 0.915 -0.231 -4.231 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.970 1.873 -5.031 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.782 1.290 -7.351 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.542 1.957 -7.851 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.843 2.936 -6.540 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.993 1.633 -6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.835 -0.374 -8.178 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.263 -0.785 -6.500 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.379 -1.109 -7.105 1.00 0.00 H new ATOM 113 N ASN A 7 -2.722 0.194 -4.681 1.00 0.00 N ATOM 114 CA ASN A 7 -3.812 -0.754 -4.478 1.00 0.00 C ATOM 115 C ASN A 7 -4.611 -0.960 -5.761 1.00 0.00 C ATOM 116 O ASN A 7 -5.055 0.005 -6.382 1.00 0.00 O ATOM 117 CB ASN A 7 -4.728 -0.256 -3.346 1.00 0.00 C ATOM 118 CG ASN A 7 -6.121 -0.873 -3.358 1.00 0.00 C ATOM 119 OD1 ASN A 7 -6.402 -1.811 -4.103 1.00 0.00 O ATOM 120 ND2 ASN A 7 -7.005 -0.340 -2.521 1.00 0.00 N ATOM 0 H ASN A 7 -2.962 1.162 -4.468 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.385 -1.717 -4.197 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.255 -0.472 -2.388 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.821 0.828 -3.418 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.955 -0.708 -2.480 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.733 0.437 -1.919 1.00 0.00 H new ATOM 127 N LYS A 8 -4.809 -2.222 -6.150 1.00 0.00 N ATOM 128 CA LYS A 8 -5.578 -2.510 -7.356 1.00 0.00 C ATOM 129 C LYS A 8 -6.530 -3.686 -7.139 1.00 0.00 C ATOM 130 O LYS A 8 -6.105 -4.817 -6.921 1.00 0.00 O ATOM 131 CB LYS A 8 -4.635 -2.790 -8.532 1.00 0.00 C ATOM 132 CG LYS A 8 -5.345 -3.174 -9.817 1.00 0.00 C ATOM 133 CD LYS A 8 -5.683 -1.947 -10.651 1.00 0.00 C ATOM 134 CE LYS A 8 -5.936 -2.312 -12.106 1.00 0.00 C ATOM 135 NZ LYS A 8 -6.173 -1.107 -12.943 1.00 0.00 N ATOM 0 H LYS A 8 -4.455 -3.042 -5.658 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.181 -1.633 -7.590 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.028 -1.904 -8.716 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.952 -3.592 -8.253 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.713 -3.847 -10.397 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.259 -3.719 -9.581 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.566 -1.458 -10.239 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.865 -1.229 -10.592 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.081 -2.864 -12.497 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.799 -2.975 -12.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.342 -1.396 -13.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.004 -0.594 -12.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.339 -0.487 -12.902 1.00 0.00 H new ATOM 149 N GLY A 9 -7.823 -3.406 -7.205 1.00 0.00 N ATOM 150 CA GLY A 9 -8.822 -4.443 -7.022 1.00 0.00 C ATOM 151 C GLY A 9 -9.781 -4.530 -8.182 1.00 0.00 C ATOM 152 O GLY A 9 -9.375 -4.738 -9.326 1.00 0.00 O ATOM 0 H GLY A 9 -8.201 -2.476 -7.383 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.324 -5.404 -6.893 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.380 -4.248 -6.107 1.00 0.00 H new ATOM 156 N GLN A 10 -11.074 -4.360 -7.901 1.00 0.00 N ATOM 157 CA GLN A 10 -12.097 -4.417 -8.936 1.00 0.00 C ATOM 158 C GLN A 10 -12.812 -3.077 -9.072 1.00 0.00 C ATOM 159 O GLN A 10 -13.274 -2.720 -10.156 1.00 0.00 O ATOM 160 CB GLN A 10 -13.110 -5.519 -8.621 1.00 0.00 C ATOM 161 CG GLN A 10 -12.703 -6.888 -9.149 1.00 0.00 C ATOM 162 CD GLN A 10 -13.045 -8.010 -8.187 1.00 0.00 C ATOM 163 OE1 GLN A 10 -13.710 -8.979 -8.561 1.00 0.00 O ATOM 164 NE2 GLN A 10 -12.603 -7.880 -6.947 1.00 0.00 N ATOM 0 H GLN A 10 -11.434 -4.182 -6.963 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.606 -4.643 -9.883 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.244 -5.580 -7.541 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -14.076 -5.246 -9.047 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.200 -7.068 -10.102 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -11.630 -6.895 -9.342 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.056 -7.060 -6.684 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -12.809 -8.600 -6.254 1.00 0.00 H new ATOM 173 N ASN A 11 -12.903 -2.342 -7.969 1.00 0.00 N ATOM 174 CA ASN A 11 -13.570 -1.045 -7.972 1.00 0.00 C ATOM 175 C ASN A 11 -12.937 -0.099 -6.951 1.00 0.00 C ATOM 176 O ASN A 11 -13.643 0.605 -6.228 1.00 0.00 O ATOM 177 CB ASN A 11 -15.053 -1.228 -7.661 1.00 0.00 C ATOM 178 CG ASN A 11 -15.906 -0.105 -8.217 1.00 0.00 C ATOM 179 OD1 ASN A 11 -15.583 1.072 -8.066 1.00 0.00 O ATOM 180 ND2 ASN A 11 -17.008 -0.465 -8.873 1.00 0.00 N ATOM 0 H ASN A 11 -12.525 -2.621 -7.064 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.456 -0.603 -8.962 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -15.393 -2.177 -8.075 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -15.190 -1.284 -6.581 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -17.619 0.247 -9.272 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -17.240 -1.453 -8.976 1.00 0.00 H new ATOM 187 N ALA A 12 -11.612 -0.083 -6.899 1.00 0.00 N ATOM 188 CA ALA A 12 -10.901 0.780 -5.964 1.00 0.00 C ATOM 189 C ALA A 12 -9.403 0.798 -6.246 1.00 0.00 C ATOM 190 O ALA A 12 -8.751 -0.251 -6.295 1.00 0.00 O ATOM 191 CB ALA A 12 -11.160 0.334 -4.529 1.00 0.00 C ATOM 0 H ALA A 12 -11.009 -0.655 -7.490 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.279 1.794 -6.097 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.623 0.988 -3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.228 0.386 -4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.815 -0.692 -4.399 1.00 0.00 H new ATOM 197 N PHE A 13 -8.854 1.997 -6.418 1.00 0.00 N ATOM 198 CA PHE A 13 -7.429 2.161 -6.686 1.00 0.00 C ATOM 199 C PHE A 13 -6.831 3.251 -5.796 1.00 0.00 C ATOM 200 O PHE A 13 -7.202 4.421 -5.903 1.00 0.00 O ATOM 201 CB PHE A 13 -7.199 2.499 -8.158 1.00 0.00 C ATOM 202 CG PHE A 13 -8.016 1.660 -9.103 1.00 0.00 C ATOM 203 CD1 PHE A 13 -8.066 0.284 -8.959 1.00 0.00 C ATOM 204 CD2 PHE A 13 -8.731 2.245 -10.129 1.00 0.00 C ATOM 205 CE1 PHE A 13 -8.815 -0.494 -9.822 1.00 0.00 C ATOM 206 CE2 PHE A 13 -9.484 1.477 -10.997 1.00 0.00 C ATOM 207 CZ PHE A 13 -9.527 0.106 -10.845 1.00 0.00 C ATOM 0 H PHE A 13 -9.377 2.872 -6.376 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.930 1.219 -6.459 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.435 3.550 -8.322 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.142 2.369 -8.391 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.512 -0.188 -8.161 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -8.702 3.317 -10.255 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -8.844 -1.566 -9.698 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -10.039 1.950 -11.794 1.00 0.00 H new ATOM 0 HZ PHE A 13 -10.114 -0.496 -11.522 1.00 0.00 H new ATOM 217 N TYR A 14 -5.917 2.861 -4.922 1.00 0.00 N ATOM 218 CA TYR A 14 -5.275 3.800 -4.010 1.00 0.00 C ATOM 219 C TYR A 14 -3.774 3.512 -3.912 1.00 0.00 C ATOM 220 O TYR A 14 -3.373 2.380 -3.662 1.00 0.00 O ATOM 221 CB TYR A 14 -5.936 3.708 -2.628 1.00 0.00 C ATOM 222 CG TYR A 14 -4.974 3.841 -1.472 1.00 0.00 C ATOM 223 CD1 TYR A 14 -4.387 5.064 -1.177 1.00 0.00 C ATOM 224 CD2 TYR A 14 -4.644 2.746 -0.682 1.00 0.00 C ATOM 225 CE1 TYR A 14 -3.500 5.191 -0.129 1.00 0.00 C ATOM 226 CE2 TYR A 14 -3.760 2.871 0.364 1.00 0.00 C ATOM 227 CZ TYR A 14 -3.190 4.092 0.639 1.00 0.00 C ATOM 228 OH TYR A 14 -2.310 4.213 1.688 1.00 0.00 O ATOM 0 H TYR A 14 -5.600 1.896 -4.823 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.399 4.812 -4.395 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.693 4.488 -2.547 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.453 2.752 -2.548 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.629 5.929 -1.777 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.088 1.784 -0.892 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.051 6.149 0.088 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.514 2.011 0.969 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.487 4.644 1.376 1.00 0.00 H new ATOM 238 N GLU A 15 -2.944 4.536 -4.104 1.00 0.00 N ATOM 239 CA GLU A 15 -1.502 4.354 -4.032 1.00 0.00 C ATOM 240 C GLU A 15 -0.825 5.503 -3.282 1.00 0.00 C ATOM 241 O GLU A 15 -1.018 6.675 -3.606 1.00 0.00 O ATOM 242 CB GLU A 15 -0.920 4.194 -5.449 1.00 0.00 C ATOM 243 CG GLU A 15 0.167 5.192 -5.813 1.00 0.00 C ATOM 244 CD GLU A 15 0.378 5.309 -7.310 1.00 0.00 C ATOM 245 OE1 GLU A 15 -0.578 5.691 -8.015 1.00 0.00 O ATOM 246 OE2 GLU A 15 1.500 5.019 -7.775 1.00 0.00 O ATOM 0 H GLU A 15 -3.244 5.489 -4.308 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.301 3.444 -3.467 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.515 3.187 -5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.731 4.284 -6.171 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.094 6.170 -5.410 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.103 4.892 -5.341 1.00 0.00 H new ATOM 253 N THR A 16 -0.021 5.150 -2.286 1.00 0.00 N ATOM 254 CA THR A 16 0.704 6.135 -1.497 1.00 0.00 C ATOM 255 C THR A 16 2.125 5.673 -1.190 1.00 0.00 C ATOM 256 O THR A 16 2.393 4.482 -1.032 1.00 0.00 O ATOM 257 CB THR A 16 -0.026 6.442 -0.191 1.00 0.00 C ATOM 258 OG1 THR A 16 -0.838 5.355 0.196 1.00 0.00 O ATOM 259 CG2 THR A 16 -0.902 7.671 -0.271 1.00 0.00 C ATOM 0 H THR A 16 0.145 4.183 -2.006 1.00 0.00 H new ATOM 0 HA THR A 16 0.756 7.044 -2.097 1.00 0.00 H new ATOM 0 HB THR A 16 0.759 6.625 0.543 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.626 5.312 -0.385 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.391 7.832 0.690 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.290 8.539 -0.517 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.658 7.530 -1.044 1.00 0.00 H new ATOM 267 N LEU A 17 3.012 6.646 -1.076 1.00 0.00 N ATOM 268 CA LEU A 17 4.418 6.409 -0.749 1.00 0.00 C ATOM 269 C LEU A 17 4.790 7.164 0.529 1.00 0.00 C ATOM 270 O LEU A 17 4.545 8.364 0.645 1.00 0.00 O ATOM 271 CB LEU A 17 5.341 6.816 -1.917 1.00 0.00 C ATOM 272 CG LEU A 17 5.530 8.322 -2.161 1.00 0.00 C ATOM 273 CD1 LEU A 17 4.196 9.051 -2.192 1.00 0.00 C ATOM 274 CD2 LEU A 17 6.459 8.931 -1.118 1.00 0.00 C ATOM 0 H LEU A 17 2.781 7.631 -1.207 1.00 0.00 H new ATOM 0 HA LEU A 17 4.557 5.341 -0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.322 6.375 -1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.948 6.371 -2.831 1.00 0.00 H new ATOM 0 HG LEU A 17 5.995 8.442 -3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.366 10.113 -2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.579 8.646 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.686 8.917 -1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.576 9.997 -1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.034 8.789 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.433 8.444 -1.169 1.00 0.00 H new ATOM 286 N THR A 18 5.356 6.451 1.501 1.00 0.00 N ATOM 287 CA THR A 18 5.729 7.068 2.773 1.00 0.00 C ATOM 288 C THR A 18 7.088 6.578 3.271 1.00 0.00 C ATOM 289 O THR A 18 7.509 5.459 2.968 1.00 0.00 O ATOM 290 CB THR A 18 4.648 6.800 3.828 1.00 0.00 C ATOM 291 OG1 THR A 18 4.606 7.850 4.777 1.00 0.00 O ATOM 292 CG2 THR A 18 4.840 5.504 4.591 1.00 0.00 C ATOM 0 H THR A 18 5.565 5.455 1.434 1.00 0.00 H new ATOM 0 HA THR A 18 5.811 8.142 2.605 1.00 0.00 H new ATOM 0 HB THR A 18 3.718 6.729 3.264 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.910 7.663 5.441 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.036 5.387 5.318 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.824 4.666 3.894 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.798 5.526 5.110 1.00 0.00 H new ATOM 300 N LYS A 19 7.760 7.423 4.052 1.00 0.00 N ATOM 301 CA LYS A 19 9.060 7.080 4.620 1.00 0.00 C ATOM 302 C LYS A 19 8.894 5.989 5.673 1.00 0.00 C ATOM 303 O LYS A 19 8.603 6.270 6.835 1.00 0.00 O ATOM 304 CB LYS A 19 9.715 8.317 5.238 1.00 0.00 C ATOM 305 CG LYS A 19 10.856 8.880 4.408 1.00 0.00 C ATOM 306 CD LYS A 19 10.341 9.775 3.298 1.00 0.00 C ATOM 307 CE LYS A 19 11.453 10.148 2.327 1.00 0.00 C ATOM 308 NZ LYS A 19 10.980 11.089 1.272 1.00 0.00 N ATOM 0 H LYS A 19 7.423 8.352 4.305 1.00 0.00 H new ATOM 0 HA LYS A 19 9.705 6.709 3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.958 9.090 5.372 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.089 8.063 6.230 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.531 9.446 5.050 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.435 8.062 3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.541 9.267 2.760 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.912 10.680 3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.277 10.604 2.877 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.844 9.245 1.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.767 11.317 0.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.211 10.645 0.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.631 11.962 1.717 1.00 0.00 H new ATOM 322 N ALA A 20 9.053 4.741 5.248 1.00 0.00 N ATOM 323 CA ALA A 20 8.894 3.593 6.134 1.00 0.00 C ATOM 324 C ALA A 20 10.174 3.224 6.877 1.00 0.00 C ATOM 325 O ALA A 20 10.279 2.129 7.425 1.00 0.00 O ATOM 326 CB ALA A 20 8.423 2.407 5.330 1.00 0.00 C ATOM 0 H ALA A 20 9.294 4.497 4.287 1.00 0.00 H new ATOM 0 HA ALA A 20 8.159 3.872 6.889 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.303 1.546 5.988 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.467 2.642 4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.158 2.175 4.559 1.00 0.00 H new ATOM 332 N VAL A 21 11.138 4.125 6.894 1.00 0.00 N ATOM 333 CA VAL A 21 12.404 3.878 7.580 1.00 0.00 C ATOM 334 C VAL A 21 13.189 2.727 6.938 1.00 0.00 C ATOM 335 O VAL A 21 14.248 2.945 6.353 1.00 0.00 O ATOM 336 CB VAL A 21 12.180 3.556 9.069 1.00 0.00 C ATOM 337 CG1 VAL A 21 13.506 3.509 9.814 1.00 0.00 C ATOM 338 CG2 VAL A 21 11.242 4.572 9.702 1.00 0.00 C ATOM 0 H VAL A 21 11.074 5.037 6.442 1.00 0.00 H new ATOM 0 HA VAL A 21 12.985 4.796 7.488 1.00 0.00 H new ATOM 0 HB VAL A 21 11.715 2.573 9.140 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.325 3.280 10.864 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.141 2.737 9.378 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.003 4.476 9.734 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.097 4.327 10.754 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.675 5.569 9.618 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.281 4.550 9.188 1.00 0.00 H new ATOM 348 N ASP A 22 12.668 1.504 7.058 1.00 0.00 N ATOM 349 CA ASP A 22 13.330 0.333 6.500 1.00 0.00 C ATOM 350 C ASP A 22 12.415 -0.401 5.517 1.00 0.00 C ATOM 351 O ASP A 22 11.455 0.168 4.999 1.00 0.00 O ATOM 352 CB ASP A 22 13.765 -0.610 7.626 1.00 0.00 C ATOM 353 CG ASP A 22 14.395 0.127 8.792 1.00 0.00 C ATOM 354 OD1 ASP A 22 15.457 0.754 8.593 1.00 0.00 O ATOM 355 OD2 ASP A 22 13.827 0.079 9.902 1.00 0.00 O ATOM 0 H ASP A 22 11.790 1.303 7.537 1.00 0.00 H new ATOM 0 HA ASP A 22 14.212 0.667 5.954 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.900 -1.171 7.980 1.00 0.00 H new ATOM 0 HB3 ASP A 22 14.476 -1.336 7.233 1.00 0.00 H new ATOM 360 N ALA A 23 12.729 -1.668 5.263 1.00 0.00 N ATOM 361 CA ALA A 23 11.954 -2.491 4.339 1.00 0.00 C ATOM 362 C ALA A 23 10.775 -3.164 5.037 1.00 0.00 C ATOM 363 O ALA A 23 9.622 -2.793 4.817 1.00 0.00 O ATOM 364 CB ALA A 23 12.849 -3.536 3.689 1.00 0.00 C ATOM 0 H ALA A 23 13.521 -2.150 5.688 1.00 0.00 H new ATOM 0 HA ALA A 23 11.551 -1.835 3.568 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.260 -4.143 3.002 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.649 -3.039 3.139 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.281 -4.175 4.459 1.00 0.00 H new ATOM 370 N GLU A 24 11.066 -4.153 5.880 1.00 0.00 N ATOM 371 CA GLU A 24 10.015 -4.864 6.608 1.00 0.00 C ATOM 372 C GLU A 24 9.192 -3.889 7.438 1.00 0.00 C ATOM 373 O GLU A 24 8.038 -4.152 7.770 1.00 0.00 O ATOM 374 CB GLU A 24 10.604 -5.943 7.507 1.00 0.00 C ATOM 375 CG GLU A 24 11.721 -6.740 6.855 1.00 0.00 C ATOM 376 CD GLU A 24 12.026 -8.029 7.593 1.00 0.00 C ATOM 377 OE1 GLU A 24 11.073 -8.670 8.088 1.00 0.00 O ATOM 378 OE2 GLU A 24 13.216 -8.400 7.677 1.00 0.00 O ATOM 0 H GLU A 24 12.013 -4.479 6.075 1.00 0.00 H new ATOM 0 HA GLU A 24 9.367 -5.344 5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.985 -5.478 8.416 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.810 -6.626 7.807 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.444 -6.971 5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.622 -6.128 6.813 1.00 0.00 H new ATOM 385 N THR A 25 9.789 -2.743 7.725 1.00 0.00 N ATOM 386 CA THR A 25 9.124 -1.689 8.462 1.00 0.00 C ATOM 387 C THR A 25 8.098 -1.081 7.536 1.00 0.00 C ATOM 388 O THR A 25 6.982 -0.772 7.932 1.00 0.00 O ATOM 389 CB THR A 25 10.123 -0.630 8.930 1.00 0.00 C ATOM 390 OG1 THR A 25 11.262 -1.239 9.512 1.00 0.00 O ATOM 391 CG2 THR A 25 9.546 0.332 9.945 1.00 0.00 C ATOM 0 H THR A 25 10.747 -2.521 7.453 1.00 0.00 H new ATOM 0 HA THR A 25 8.649 -2.092 9.357 1.00 0.00 H new ATOM 0 HB THR A 25 10.389 -0.068 8.035 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.965 -0.567 9.635 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.308 1.056 10.234 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.695 0.855 9.508 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.219 -0.221 10.825 1.00 0.00 H new ATOM 399 N ALA A 26 8.476 -0.985 6.266 1.00 0.00 N ATOM 400 CA ALA A 26 7.572 -0.496 5.252 1.00 0.00 C ATOM 401 C ALA A 26 6.552 -1.583 4.978 1.00 0.00 C ATOM 402 O ALA A 26 5.455 -1.326 4.498 1.00 0.00 O ATOM 403 CB ALA A 26 8.331 -0.137 3.984 1.00 0.00 C ATOM 0 H ALA A 26 9.402 -1.241 5.923 1.00 0.00 H new ATOM 0 HA ALA A 26 7.073 0.409 5.597 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.631 0.229 3.233 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.064 0.639 4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.842 -1.021 3.603 1.00 0.00 H new ATOM 409 N ARG A 27 6.929 -2.812 5.316 1.00 0.00 N ATOM 410 CA ARG A 27 6.050 -3.950 5.136 1.00 0.00 C ATOM 411 C ARG A 27 5.046 -4.018 6.270 1.00 0.00 C ATOM 412 O ARG A 27 3.871 -4.270 6.041 1.00 0.00 O ATOM 413 CB ARG A 27 6.859 -5.248 5.062 1.00 0.00 C ATOM 414 CG ARG A 27 7.810 -5.306 3.877 1.00 0.00 C ATOM 415 CD ARG A 27 7.128 -5.861 2.636 1.00 0.00 C ATOM 416 NE ARG A 27 7.930 -6.895 1.986 1.00 0.00 N ATOM 417 CZ ARG A 27 7.877 -8.188 2.303 1.00 0.00 C ATOM 418 NH1 ARG A 27 7.075 -8.611 3.271 1.00 0.00 N ATOM 419 NH2 ARG A 27 8.635 -9.060 1.650 1.00 0.00 N ATOM 0 H ARG A 27 7.839 -3.040 5.716 1.00 0.00 H new ATOM 0 HA ARG A 27 5.511 -3.828 4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.431 -5.362 5.982 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.172 -6.092 5.007 1.00 0.00 H new ATOM 0 HG2 ARG A 27 8.191 -4.307 3.667 1.00 0.00 H new ATOM 0 HG3 ARG A 27 8.669 -5.928 4.129 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.157 -6.274 2.910 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.942 -5.050 1.932 1.00 0.00 H new ATOM 0 HE ARG A 27 8.569 -6.610 1.244 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.493 -7.945 3.779 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.040 -9.603 3.508 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.256 -8.740 0.907 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.596 -10.050 1.891 1.00 0.00 H new ATOM 433 N ASN A 28 5.518 -3.781 7.490 1.00 0.00 N ATOM 434 CA ASN A 28 4.652 -3.822 8.665 1.00 0.00 C ATOM 435 C ASN A 28 4.057 -2.452 8.989 1.00 0.00 C ATOM 436 O ASN A 28 2.859 -2.334 9.231 1.00 0.00 O ATOM 437 CB ASN A 28 5.430 -4.346 9.873 1.00 0.00 C ATOM 438 CG ASN A 28 5.459 -5.861 9.929 1.00 0.00 C ATOM 439 OD1 ASN A 28 4.420 -6.510 10.047 1.00 0.00 O ATOM 440 ND2 ASN A 28 6.655 -6.433 9.845 1.00 0.00 N ATOM 0 H ASN A 28 6.493 -3.559 7.691 1.00 0.00 H new ATOM 0 HA ASN A 28 3.827 -4.496 8.437 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.451 -3.967 9.836 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.979 -3.960 10.787 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.738 -7.449 9.878 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.491 -5.856 9.748 1.00 0.00 H new ATOM 447 N ALA A 29 4.899 -1.426 9.013 1.00 0.00 N ATOM 448 CA ALA A 29 4.453 -0.071 9.332 1.00 0.00 C ATOM 449 C ALA A 29 3.572 0.525 8.236 1.00 0.00 C ATOM 450 O ALA A 29 2.496 1.053 8.514 1.00 0.00 O ATOM 451 CB ALA A 29 5.653 0.831 9.574 1.00 0.00 C ATOM 0 H ALA A 29 5.897 -1.505 8.815 1.00 0.00 H new ATOM 0 HA ALA A 29 3.850 -0.137 10.237 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.309 1.838 9.811 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.238 0.442 10.407 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.273 0.860 8.678 1.00 0.00 H new ATOM 457 N PHE A 30 4.042 0.456 6.996 1.00 0.00 N ATOM 458 CA PHE A 30 3.302 1.008 5.867 1.00 0.00 C ATOM 459 C PHE A 30 1.991 0.265 5.644 1.00 0.00 C ATOM 460 O PHE A 30 0.939 0.887 5.515 1.00 0.00 O ATOM 461 CB PHE A 30 4.160 0.937 4.603 1.00 0.00 C ATOM 462 CG PHE A 30 3.923 2.021 3.585 1.00 0.00 C ATOM 463 CD1 PHE A 30 3.087 3.103 3.830 1.00 0.00 C ATOM 464 CD2 PHE A 30 4.558 1.941 2.358 1.00 0.00 C ATOM 465 CE1 PHE A 30 2.898 4.079 2.865 1.00 0.00 C ATOM 466 CE2 PHE A 30 4.376 2.909 1.395 1.00 0.00 C ATOM 467 CZ PHE A 30 3.546 3.980 1.647 1.00 0.00 C ATOM 0 H PHE A 30 4.932 0.024 6.747 1.00 0.00 H new ATOM 0 HA PHE A 30 3.065 2.048 6.093 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.209 0.965 4.897 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.989 -0.027 4.125 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.580 3.184 4.780 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.208 1.104 2.152 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.245 4.916 3.064 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.883 2.829 0.445 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.402 4.741 0.894 1.00 0.00 H new ATOM 477 N ILE A 31 2.051 -1.064 5.586 1.00 0.00 N ATOM 478 CA ILE A 31 0.870 -1.865 5.364 1.00 0.00 C ATOM 479 C ILE A 31 -0.287 -1.476 6.279 1.00 0.00 C ATOM 480 O ILE A 31 -1.446 -1.535 5.877 1.00 0.00 O ATOM 481 CB ILE A 31 1.202 -3.346 5.534 1.00 0.00 C ATOM 482 CG1 ILE A 31 0.103 -4.208 4.955 1.00 0.00 C ATOM 483 CG2 ILE A 31 1.463 -3.698 6.979 1.00 0.00 C ATOM 484 CD1 ILE A 31 0.653 -5.342 4.137 1.00 0.00 C ATOM 0 H ILE A 31 2.912 -1.601 5.691 1.00 0.00 H new ATOM 0 HA ILE A 31 0.543 -1.676 4.342 1.00 0.00 H new ATOM 0 HB ILE A 31 2.121 -3.544 4.983 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.509 -4.607 5.764 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.550 -3.595 4.333 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.696 -4.760 7.059 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.305 -3.113 7.350 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.577 -3.475 7.574 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.170 -5.936 3.740 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.244 -4.943 3.312 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.285 -5.971 4.765 1.00 0.00 H new ATOM 496 N GLN A 32 0.026 -1.070 7.505 1.00 0.00 N ATOM 497 CA GLN A 32 -1.013 -0.672 8.454 1.00 0.00 C ATOM 498 C GLN A 32 -1.746 0.563 7.953 1.00 0.00 C ATOM 499 O GLN A 32 -2.976 0.597 7.908 1.00 0.00 O ATOM 500 CB GLN A 32 -0.414 -0.384 9.831 1.00 0.00 C ATOM 501 CG GLN A 32 0.605 -1.413 10.281 1.00 0.00 C ATOM 502 CD GLN A 32 0.260 -2.032 11.621 1.00 0.00 C ATOM 503 OE1 GLN A 32 0.733 -1.583 12.665 1.00 0.00 O ATOM 504 NE2 GLN A 32 -0.567 -3.070 11.600 1.00 0.00 N ATOM 0 H GLN A 32 0.979 -1.007 7.864 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.718 -1.499 8.542 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.058 0.598 9.814 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.219 -0.338 10.565 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.677 -2.200 9.530 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.586 -0.943 10.345 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.936 -3.410 10.712 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.833 -3.528 12.472 1.00 0.00 H new ATOM 513 N SER A 33 -0.978 1.572 7.570 1.00 0.00 N ATOM 514 CA SER A 33 -1.540 2.814 7.065 1.00 0.00 C ATOM 515 C SER A 33 -2.057 2.616 5.653 1.00 0.00 C ATOM 516 O SER A 33 -3.113 3.131 5.285 1.00 0.00 O ATOM 517 CB SER A 33 -0.491 3.928 7.094 1.00 0.00 C ATOM 518 OG SER A 33 -0.453 4.560 8.362 1.00 0.00 O ATOM 0 H SER A 33 0.041 1.554 7.600 1.00 0.00 H new ATOM 0 HA SER A 33 -2.371 3.106 7.707 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.490 3.514 6.861 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.717 4.665 6.323 1.00 0.00 H new ATOM 0 HG SER A 33 0.226 5.267 8.355 1.00 0.00 H new ATOM 524 N LEU A 34 -1.316 1.846 4.869 1.00 0.00 N ATOM 525 CA LEU A 34 -1.712 1.560 3.505 1.00 0.00 C ATOM 526 C LEU A 34 -3.021 0.790 3.528 1.00 0.00 C ATOM 527 O LEU A 34 -3.920 1.035 2.725 1.00 0.00 O ATOM 528 CB LEU A 34 -0.591 0.790 2.786 1.00 0.00 C ATOM 529 CG LEU A 34 -1.000 -0.248 1.731 1.00 0.00 C ATOM 530 CD1 LEU A 34 -1.505 -1.521 2.383 1.00 0.00 C ATOM 531 CD2 LEU A 34 -2.039 0.306 0.799 1.00 0.00 C ATOM 0 H LEU A 34 -0.440 1.411 5.157 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.872 2.483 2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.061 1.519 2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.005 0.281 3.543 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.111 -0.489 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.787 -2.238 1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.718 -1.948 3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.373 -1.293 3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.309 -0.452 0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.924 0.590 1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.639 1.182 0.288 1.00 0.00 H new ATOM 543 N LYS A 35 -3.143 -0.103 4.493 1.00 0.00 N ATOM 544 CA LYS A 35 -4.366 -0.867 4.650 1.00 0.00 C ATOM 545 C LYS A 35 -5.392 -0.010 5.361 1.00 0.00 C ATOM 546 O LYS A 35 -6.596 -0.154 5.154 1.00 0.00 O ATOM 547 CB LYS A 35 -4.103 -2.146 5.426 1.00 0.00 C ATOM 548 CG LYS A 35 -3.417 -3.206 4.582 1.00 0.00 C ATOM 549 CD LYS A 35 -4.024 -4.582 4.809 1.00 0.00 C ATOM 550 CE LYS A 35 -3.461 -5.239 6.059 1.00 0.00 C ATOM 551 NZ LYS A 35 -3.251 -6.702 5.871 1.00 0.00 N ATOM 0 H LYS A 35 -2.415 -0.316 5.175 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.747 -1.149 3.669 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.484 -1.920 6.294 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.047 -2.540 5.802 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.498 -2.941 3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.354 -3.232 4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.107 -4.493 4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.827 -5.215 3.944 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.514 -4.767 6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.142 -5.074 6.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.866 -7.113 6.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.159 -7.157 5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.581 -6.859 5.091 1.00 0.00 H new ATOM 565 N ASP A 36 -4.903 0.915 6.177 1.00 0.00 N ATOM 566 CA ASP A 36 -5.786 1.828 6.884 1.00 0.00 C ATOM 567 C ASP A 36 -6.613 2.611 5.868 1.00 0.00 C ATOM 568 O ASP A 36 -7.731 3.039 6.154 1.00 0.00 O ATOM 569 CB ASP A 36 -4.982 2.788 7.763 1.00 0.00 C ATOM 570 CG ASP A 36 -5.870 3.737 8.542 1.00 0.00 C ATOM 571 OD1 ASP A 36 -6.673 4.455 7.910 1.00 0.00 O ATOM 572 OD2 ASP A 36 -5.763 3.764 9.787 1.00 0.00 O ATOM 0 H ASP A 36 -3.909 1.051 6.363 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.449 1.254 7.531 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.370 2.214 8.458 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.299 3.364 7.138 1.00 0.00 H new ATOM 577 N ASP A 37 -6.052 2.778 4.667 1.00 0.00 N ATOM 578 CA ASP A 37 -6.732 3.492 3.592 1.00 0.00 C ATOM 579 C ASP A 37 -7.502 2.521 2.697 1.00 0.00 C ATOM 580 O ASP A 37 -8.680 2.732 2.405 1.00 0.00 O ATOM 581 CB ASP A 37 -5.723 4.283 2.758 1.00 0.00 C ATOM 582 CG ASP A 37 -5.596 5.722 3.218 1.00 0.00 C ATOM 583 OD1 ASP A 37 -4.766 5.989 4.111 1.00 0.00 O ATOM 584 OD2 ASP A 37 -6.327 6.583 2.683 1.00 0.00 O ATOM 0 H ASP A 37 -5.127 2.427 4.418 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.442 4.186 4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.748 3.798 2.816 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.027 4.264 1.711 1.00 0.00 H new ATOM 589 N GLY A 38 -6.826 1.459 2.264 1.00 0.00 N ATOM 590 CA GLY A 38 -7.457 0.470 1.404 1.00 0.00 C ATOM 591 C GLY A 38 -7.140 -0.953 1.826 1.00 0.00 C ATOM 592 O GLY A 38 -6.667 -1.758 1.025 1.00 0.00 O ATOM 0 H GLY A 38 -5.851 1.265 2.494 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.537 0.618 1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.127 0.623 0.376 1.00 0.00 H new ATOM 596 N VAL A 39 -7.399 -1.254 3.094 1.00 0.00 N ATOM 597 CA VAL A 39 -7.141 -2.585 3.647 1.00 0.00 C ATOM 598 C VAL A 39 -7.762 -3.689 2.792 1.00 0.00 C ATOM 599 O VAL A 39 -7.147 -4.733 2.576 1.00 0.00 O ATOM 600 CB VAL A 39 -7.679 -2.713 5.094 1.00 0.00 C ATOM 601 CG1 VAL A 39 -8.981 -1.942 5.268 1.00 0.00 C ATOM 602 CG2 VAL A 39 -7.874 -4.175 5.466 1.00 0.00 C ATOM 0 H VAL A 39 -7.790 -0.592 3.764 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.058 -2.706 3.651 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.938 -2.279 5.765 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.334 -2.051 6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.811 -0.887 5.053 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.731 -2.336 4.582 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.252 -4.244 6.486 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.589 -4.632 4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.920 -4.698 5.397 1.00 0.00 H new ATOM 612 N GLN A 40 -8.993 -3.454 2.348 1.00 0.00 N ATOM 613 CA GLN A 40 -9.754 -4.420 1.538 1.00 0.00 C ATOM 614 C GLN A 40 -8.860 -5.272 0.639 1.00 0.00 C ATOM 615 O GLN A 40 -9.185 -6.418 0.331 1.00 0.00 O ATOM 616 CB GLN A 40 -10.779 -3.694 0.659 1.00 0.00 C ATOM 617 CG GLN A 40 -11.344 -2.426 1.278 1.00 0.00 C ATOM 618 CD GLN A 40 -11.901 -2.651 2.670 1.00 0.00 C ATOM 619 OE1 GLN A 40 -12.442 -3.716 2.970 1.00 0.00 O ATOM 620 NE2 GLN A 40 -11.774 -1.647 3.527 1.00 0.00 N ATOM 0 H GLN A 40 -9.499 -2.588 2.536 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.255 -5.081 2.245 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.311 -3.443 -0.293 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.601 -4.376 0.440 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -10.561 -1.669 1.323 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.132 -2.033 0.635 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.319 -0.782 3.235 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.132 -1.740 4.478 1.00 0.00 H new ATOM 629 N GLY A 41 -7.743 -4.702 0.213 1.00 0.00 N ATOM 630 CA GLY A 41 -6.830 -5.423 -0.655 1.00 0.00 C ATOM 631 C GLY A 41 -5.554 -5.850 0.040 1.00 0.00 C ATOM 632 O GLY A 41 -5.192 -5.314 1.086 1.00 0.00 O ATOM 0 H GLY A 41 -7.451 -3.754 0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.334 -6.306 -1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.578 -4.794 -1.508 1.00 0.00 H new ATOM 636 N VAL A 42 -4.861 -6.807 -0.569 1.00 0.00 N ATOM 637 CA VAL A 42 -3.595 -7.305 -0.038 1.00 0.00 C ATOM 638 C VAL A 42 -2.485 -6.987 -1.025 1.00 0.00 C ATOM 639 O VAL A 42 -2.676 -7.131 -2.232 1.00 0.00 O ATOM 640 CB VAL A 42 -3.643 -8.825 0.221 1.00 0.00 C ATOM 641 CG1 VAL A 42 -3.806 -9.590 -1.083 1.00 0.00 C ATOM 642 CG2 VAL A 42 -2.393 -9.278 0.960 1.00 0.00 C ATOM 0 H VAL A 42 -5.156 -7.256 -1.436 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.406 -6.814 0.917 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.509 -9.039 0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.837 -10.660 -0.876 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.733 -9.287 -1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.964 -9.372 -1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.443 -10.353 1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.512 -9.049 0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.327 -8.758 1.916 1.00 0.00 H new ATOM 652 N TRP A 43 -1.342 -6.507 -0.543 1.00 0.00 N ATOM 653 CA TRP A 43 -0.275 -6.138 -1.461 1.00 0.00 C ATOM 654 C TRP A 43 0.809 -7.185 -1.653 1.00 0.00 C ATOM 655 O TRP A 43 1.038 -8.058 -0.817 1.00 0.00 O ATOM 656 CB TRP A 43 0.360 -4.800 -1.066 1.00 0.00 C ATOM 657 CG TRP A 43 1.295 -4.822 0.119 1.00 0.00 C ATOM 658 CD1 TRP A 43 2.012 -5.872 0.634 1.00 0.00 C ATOM 659 CD2 TRP A 43 1.627 -3.693 0.924 1.00 0.00 C ATOM 660 NE1 TRP A 43 2.762 -5.448 1.704 1.00 0.00 N ATOM 661 CE2 TRP A 43 2.541 -4.113 1.898 1.00 0.00 C ATOM 662 CE3 TRP A 43 1.231 -2.363 0.906 1.00 0.00 C ATOM 663 CZ2 TRP A 43 3.068 -3.240 2.845 1.00 0.00 C ATOM 664 CZ3 TRP A 43 1.752 -1.495 1.844 1.00 0.00 C ATOM 665 CH2 TRP A 43 2.660 -1.931 2.799 1.00 0.00 C ATOM 0 H TRP A 43 -1.136 -6.368 0.446 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.774 -6.050 -2.426 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.908 -4.415 -1.926 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.441 -4.091 -0.856 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.990 -6.883 0.254 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.383 -6.034 2.263 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.525 -2.012 0.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.773 -3.581 3.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.448 -0.459 1.835 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.052 -1.227 3.518 1.00 0.00 H new ATOM 676 N THR A 44 1.493 -7.026 -2.779 1.00 0.00 N ATOM 677 CA THR A 44 2.614 -7.860 -3.169 1.00 0.00 C ATOM 678 C THR A 44 3.754 -6.938 -3.571 1.00 0.00 C ATOM 679 O THR A 44 3.767 -6.404 -4.680 1.00 0.00 O ATOM 680 CB THR A 44 2.233 -8.789 -4.319 1.00 0.00 C ATOM 681 OG1 THR A 44 1.099 -8.297 -5.011 1.00 0.00 O ATOM 682 CG2 THR A 44 1.917 -10.184 -3.847 1.00 0.00 C ATOM 0 H THR A 44 1.276 -6.297 -3.459 1.00 0.00 H new ATOM 0 HA THR A 44 2.917 -8.496 -2.337 1.00 0.00 H new ATOM 0 HB THR A 44 3.100 -8.823 -4.978 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.874 -8.907 -5.745 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.652 -10.806 -4.702 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.790 -10.606 -3.348 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.080 -10.151 -3.149 1.00 0.00 H new ATOM 690 N TYR A 45 4.671 -6.699 -2.649 1.00 0.00 N ATOM 691 CA TYR A 45 5.771 -5.776 -2.902 1.00 0.00 C ATOM 692 C TYR A 45 7.029 -6.473 -3.398 1.00 0.00 C ATOM 693 O TYR A 45 7.329 -7.608 -3.024 1.00 0.00 O ATOM 694 CB TYR A 45 6.051 -4.947 -1.642 1.00 0.00 C ATOM 695 CG TYR A 45 7.505 -4.662 -1.334 1.00 0.00 C ATOM 696 CD1 TYR A 45 8.406 -5.680 -1.034 1.00 0.00 C ATOM 697 CD2 TYR A 45 7.968 -3.354 -1.328 1.00 0.00 C ATOM 698 CE1 TYR A 45 9.726 -5.396 -0.740 1.00 0.00 C ATOM 699 CE2 TYR A 45 9.284 -3.064 -1.038 1.00 0.00 C ATOM 700 CZ TYR A 45 10.160 -4.089 -0.744 1.00 0.00 C ATOM 701 OH TYR A 45 11.474 -3.803 -0.452 1.00 0.00 O ATOM 0 H TYR A 45 4.679 -7.127 -1.723 1.00 0.00 H new ATOM 0 HA TYR A 45 5.463 -5.111 -3.709 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.529 -3.995 -1.736 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.616 -5.466 -0.788 1.00 0.00 H new ATOM 0 HD1 TYR A 45 8.069 -6.706 -1.031 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.285 -2.549 -1.555 1.00 0.00 H new ATOM 0 HE1 TYR A 45 10.414 -6.195 -0.508 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.628 -2.040 -1.041 1.00 0.00 H new ATOM 0 HH TYR A 45 11.639 -2.847 -0.591 1.00 0.00 H new ATOM 711 N ASP A 46 7.769 -5.755 -4.236 1.00 0.00 N ATOM 712 CA ASP A 46 9.014 -6.246 -4.796 1.00 0.00 C ATOM 713 C ASP A 46 10.195 -5.571 -4.113 1.00 0.00 C ATOM 714 O ASP A 46 10.045 -4.513 -3.497 1.00 0.00 O ATOM 715 CB ASP A 46 9.054 -5.967 -6.294 1.00 0.00 C ATOM 716 CG ASP A 46 9.435 -7.193 -7.096 1.00 0.00 C ATOM 717 OD1 ASP A 46 9.052 -8.312 -6.695 1.00 0.00 O ATOM 718 OD2 ASP A 46 10.119 -7.037 -8.132 1.00 0.00 O ATOM 0 H ASP A 46 7.518 -4.815 -4.544 1.00 0.00 H new ATOM 0 HA ASP A 46 9.076 -7.322 -4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.077 -5.610 -6.621 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.768 -5.168 -6.494 1.00 0.00 H new ATOM 723 N ASP A 47 11.366 -6.172 -4.247 1.00 0.00 N ATOM 724 CA ASP A 47 12.580 -5.623 -3.666 1.00 0.00 C ATOM 725 C ASP A 47 13.305 -4.813 -4.719 1.00 0.00 C ATOM 726 O ASP A 47 13.919 -3.784 -4.438 1.00 0.00 O ATOM 727 CB ASP A 47 13.469 -6.757 -3.169 1.00 0.00 C ATOM 728 CG ASP A 47 13.764 -6.660 -1.685 1.00 0.00 C ATOM 729 OD1 ASP A 47 12.903 -7.075 -0.880 1.00 0.00 O ATOM 730 OD2 ASP A 47 14.854 -6.168 -1.328 1.00 0.00 O ATOM 0 H ASP A 47 11.502 -7.045 -4.756 1.00 0.00 H new ATOM 0 HA ASP A 47 12.331 -4.980 -2.822 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.985 -7.711 -3.378 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.407 -6.748 -3.723 1.00 0.00 H new ATOM 735 N ALA A 48 13.198 -5.297 -5.941 1.00 0.00 N ATOM 736 CA ALA A 48 13.803 -4.657 -7.088 1.00 0.00 C ATOM 737 C ALA A 48 13.255 -3.246 -7.261 1.00 0.00 C ATOM 738 O ALA A 48 13.972 -2.328 -7.656 1.00 0.00 O ATOM 739 CB ALA A 48 13.505 -5.487 -8.315 1.00 0.00 C ATOM 0 H ALA A 48 12.686 -6.150 -6.165 1.00 0.00 H new ATOM 0 HA ALA A 48 14.881 -4.584 -6.942 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.955 -5.018 -9.190 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.919 -6.487 -8.187 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.426 -5.556 -8.455 1.00 0.00 H new ATOM 745 N THR A 49 11.973 -3.106 -6.978 1.00 0.00 N ATOM 746 CA THR A 49 11.293 -1.826 -7.104 1.00 0.00 C ATOM 747 C THR A 49 11.162 -1.137 -5.749 1.00 0.00 C ATOM 748 O THR A 49 11.341 0.076 -5.641 1.00 0.00 O ATOM 749 CB THR A 49 9.910 -2.032 -7.719 1.00 0.00 C ATOM 750 OG1 THR A 49 9.010 -2.558 -6.761 1.00 0.00 O ATOM 751 CG2 THR A 49 9.917 -2.969 -8.898 1.00 0.00 C ATOM 0 H THR A 49 11.376 -3.868 -6.657 1.00 0.00 H new ATOM 0 HA THR A 49 11.889 -1.186 -7.755 1.00 0.00 H new ATOM 0 HB THR A 49 9.595 -1.046 -8.059 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.385 -1.857 -6.480 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.904 -3.071 -9.287 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.566 -2.569 -9.677 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.286 -3.946 -8.584 1.00 0.00 H new ATOM 759 N LYS A 50 10.834 -1.923 -4.723 1.00 0.00 N ATOM 760 CA LYS A 50 10.657 -1.408 -3.366 1.00 0.00 C ATOM 761 C LYS A 50 9.268 -0.820 -3.224 1.00 0.00 C ATOM 762 O LYS A 50 9.063 0.219 -2.586 1.00 0.00 O ATOM 763 CB LYS A 50 11.707 -0.355 -3.035 1.00 0.00 C ATOM 764 CG LYS A 50 13.108 -0.733 -3.489 1.00 0.00 C ATOM 765 CD LYS A 50 13.800 0.424 -4.194 1.00 0.00 C ATOM 766 CE LYS A 50 15.313 0.301 -4.113 1.00 0.00 C ATOM 767 NZ LYS A 50 15.951 0.416 -5.454 1.00 0.00 N ATOM 0 H LYS A 50 10.684 -2.928 -4.809 1.00 0.00 H new ATOM 0 HA LYS A 50 10.778 -2.234 -2.665 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.424 0.588 -3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.715 -0.187 -1.958 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.700 -1.041 -2.627 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.055 -1.590 -4.161 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.492 0.451 -5.239 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.486 1.366 -3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 50 15.706 1.077 -3.456 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.576 -0.658 -3.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.983 0.327 -5.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.595 -0.340 -6.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.721 1.341 -5.870 1.00 0.00 H new ATOM 781 N THR A 51 8.319 -1.485 -3.852 1.00 0.00 N ATOM 782 CA THR A 51 6.940 -1.040 -3.835 1.00 0.00 C ATOM 783 C THR A 51 5.983 -2.202 -3.638 1.00 0.00 C ATOM 784 O THR A 51 6.280 -3.330 -4.022 1.00 0.00 O ATOM 785 CB THR A 51 6.632 -0.307 -5.134 1.00 0.00 C ATOM 786 OG1 THR A 51 7.215 -0.974 -6.239 1.00 0.00 O ATOM 787 CG2 THR A 51 7.132 1.119 -5.140 1.00 0.00 C ATOM 0 H THR A 51 8.479 -2.341 -4.384 1.00 0.00 H new ATOM 0 HA THR A 51 6.804 -0.362 -2.992 1.00 0.00 H new ATOM 0 HB THR A 51 5.545 -0.297 -5.213 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.004 -0.487 -7.063 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.882 1.588 -6.092 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.661 1.673 -4.328 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.214 1.126 -5.005 1.00 0.00 H new ATOM 795 N PHE A 52 4.829 -1.914 -3.047 1.00 0.00 N ATOM 796 CA PHE A 52 3.814 -2.926 -2.803 1.00 0.00 C ATOM 797 C PHE A 52 2.520 -2.548 -3.507 1.00 0.00 C ATOM 798 O PHE A 52 2.236 -1.369 -3.705 1.00 0.00 O ATOM 799 CB PHE A 52 3.563 -3.114 -1.295 1.00 0.00 C ATOM 800 CG PHE A 52 4.548 -2.412 -0.392 1.00 0.00 C ATOM 801 CD1 PHE A 52 4.694 -1.036 -0.423 1.00 0.00 C ATOM 802 CD2 PHE A 52 5.340 -3.142 0.485 1.00 0.00 C ATOM 803 CE1 PHE A 52 5.607 -0.405 0.394 1.00 0.00 C ATOM 804 CE2 PHE A 52 6.253 -2.516 1.303 1.00 0.00 C ATOM 805 CZ PHE A 52 6.389 -1.148 1.258 1.00 0.00 C ATOM 0 H PHE A 52 4.574 -0.980 -2.727 1.00 0.00 H new ATOM 0 HA PHE A 52 4.177 -3.872 -3.204 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.560 -2.756 -1.062 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.582 -4.180 -1.069 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.085 -0.450 -1.095 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.238 -4.216 0.526 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.711 0.669 0.359 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.862 -3.098 1.979 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.106 -0.655 1.897 1.00 0.00 H new ATOM 815 N THR A 53 1.738 -3.546 -3.896 1.00 0.00 N ATOM 816 CA THR A 53 0.488 -3.296 -4.582 1.00 0.00 C ATOM 817 C THR A 53 -0.667 -3.973 -3.842 1.00 0.00 C ATOM 818 O THR A 53 -0.865 -5.178 -3.981 1.00 0.00 O ATOM 819 CB THR A 53 0.585 -3.816 -6.020 1.00 0.00 C ATOM 820 OG1 THR A 53 1.399 -2.968 -6.811 1.00 0.00 O ATOM 821 CG2 THR A 53 -0.752 -3.938 -6.703 1.00 0.00 C ATOM 0 H THR A 53 1.951 -4.532 -3.746 1.00 0.00 H new ATOM 0 HA THR A 53 0.295 -2.223 -4.603 1.00 0.00 H new ATOM 0 HB THR A 53 1.022 -4.811 -5.935 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.448 -3.320 -7.724 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.610 -4.311 -7.717 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.383 -4.631 -6.146 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.232 -2.960 -6.740 1.00 0.00 H new ATOM 829 N VAL A 54 -1.432 -3.199 -3.068 1.00 0.00 N ATOM 830 CA VAL A 54 -2.557 -3.756 -2.320 1.00 0.00 C ATOM 831 C VAL A 54 -3.730 -4.037 -3.248 1.00 0.00 C ATOM 832 O VAL A 54 -4.521 -3.158 -3.567 1.00 0.00 O ATOM 833 CB VAL A 54 -2.993 -2.826 -1.156 1.00 0.00 C ATOM 834 CG1 VAL A 54 -4.503 -2.831 -0.941 1.00 0.00 C ATOM 835 CG2 VAL A 54 -2.290 -3.230 0.126 1.00 0.00 C ATOM 0 H VAL A 54 -1.294 -2.196 -2.945 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.224 -4.696 -1.881 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.706 -1.811 -1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.755 -2.165 -0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.001 -2.489 -1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.834 -3.842 -0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.603 -2.571 0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.550 -4.259 0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.211 -3.151 -0.010 1.00 0.00 H new ATOM 845 N GLN A 55 -3.824 -5.277 -3.681 1.00 0.00 N ATOM 846 CA GLN A 55 -4.888 -5.686 -4.582 1.00 0.00 C ATOM 847 C GLN A 55 -5.926 -6.533 -3.858 1.00 0.00 C ATOM 848 O GLN A 55 -5.596 -7.522 -3.203 1.00 0.00 O ATOM 849 CB GLN A 55 -4.306 -6.471 -5.755 1.00 0.00 C ATOM 850 CG GLN A 55 -3.579 -5.619 -6.779 1.00 0.00 C ATOM 851 CD GLN A 55 -3.959 -5.977 -8.203 1.00 0.00 C ATOM 852 OE1 GLN A 55 -5.038 -6.513 -8.453 1.00 0.00 O ATOM 853 NE2 GLN A 55 -3.072 -5.678 -9.145 1.00 0.00 N ATOM 0 H GLN A 55 -3.177 -6.022 -3.425 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.380 -4.788 -4.955 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.616 -7.221 -5.368 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.113 -7.008 -6.254 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.804 -4.568 -6.599 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.503 -5.741 -6.651 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.189 -5.234 -8.892 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.273 -5.893 -10.122 1.00 0.00 H new ATOM 862 N ALA A 56 -7.185 -6.137 -3.986 1.00 0.00 N ATOM 863 CA ALA A 56 -8.285 -6.854 -3.352 1.00 0.00 C ATOM 864 C ALA A 56 -8.936 -7.830 -4.325 1.00 0.00 C ATOM 865 O ALA A 56 -8.944 -9.043 -4.028 1.00 0.00 O ATOM 866 CB ALA A 56 -9.318 -5.872 -2.818 1.00 0.00 C ATOM 867 OXT ALA A 56 -9.434 -7.374 -5.375 1.00 0.00 O ATOM 0 H ALA A 56 -7.472 -5.320 -4.525 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.879 -7.427 -2.518 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.133 -6.422 -2.347 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.851 -5.216 -2.083 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.711 -5.274 -3.640 1.00 0.00 H new TER 873 ALA A 56