USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 419 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: X 1 MET N :NH3+ 176:sc= -2.27! (180deg=-1.67!) USER MOD Set 1.2: X 2 GLN : amide:sc= -7.04! C(o=-9.3!,f=-8.8!) USER MOD Single : X 1 MET CE :methyl -156:sc= 0 (180deg=-0.201) USER MOD Single : X 3 TYR OH : rot 75:sc= -6.25! USER MOD Single : X 4 LYS NZ :NH3+ 155:sc= -2.83! (180deg=-4.07!) USER MOD Single : X 8 ASN : amide:sc= -2.16 X(o=-2.2,f=-2.5!) USER MOD Single : X 10 LYS NZ :NH3+ 169:sc= 1.23 (180deg=0.977) USER MOD Single : X 11 THR OG1 : rot 180:sc= 0 USER MOD Single : X 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 16 THR OG1 : rot 180:sc= -0.245 USER MOD Single : X 17 THR OG1 : rot 180:sc= 0 USER MOD Single : X 18 THR OG1 : rot 180:sc= -0.042 USER MOD Single : X 25 THR OG1 : rot -7:sc= -0.373 USER MOD Single : X 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 31 LYS NZ :NH3+ -157:sc= 0.0642 (180deg=-0.618) USER MOD Single : X 32 GLN : amide:sc= -0.0361 X(o=-0.036,f=0) USER MOD Single : X 33 TYR OH : rot 180:sc= 0 USER MOD Single : X 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 37 ASN : amide:sc= -0.0141 X(o=-0.014,f=-0.12) USER MOD Single : X 44 THR OG1 : rot 180:sc= -0.0197 USER MOD Single : X 45 TYR OH : rot 180:sc= -0.0646 USER MOD Single : X 49 THR OG1 : rot 180:sc= 0 USER MOD Single : X 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 51 THR OG1 : rot 68:sc= 1.09 USER MOD Single : X 53 THR OG1 : rot 9:sc= -0.575 USER MOD Single : X 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 12.608 5.710 15.635 1.00 0.00 N ATOM 2 CA MET X 1 14.004 5.189 15.618 1.00 0.00 C ATOM 3 C MET X 1 14.105 4.046 14.618 1.00 0.00 C ATOM 4 O MET X 1 15.063 3.275 14.636 1.00 0.00 O ATOM 5 CB MET X 1 14.377 4.686 17.013 1.00 0.00 C ATOM 6 CG MET X 1 13.526 3.464 17.359 1.00 0.00 C ATOM 7 SD MET X 1 11.779 3.933 17.378 1.00 0.00 S ATOM 8 CE MET X 1 11.111 2.303 17.796 1.00 0.00 C ATOM 0 H1 MET X 1 12.521 6.445 16.366 1.00 0.00 H new ATOM 0 H2 MET X 1 12.378 6.116 14.706 1.00 0.00 H new ATOM 0 H3 MET X 1 11.950 4.933 15.846 1.00 0.00 H new ATOM 0 HA MET X 1 14.688 5.986 15.327 1.00 0.00 H new ATOM 0 HB2 MET X 1 15.435 4.427 17.047 1.00 0.00 H new ATOM 0 HB3 MET X 1 14.218 5.473 17.750 1.00 0.00 H new ATOM 0 HG2 MET X 1 13.693 2.672 16.629 1.00 0.00 H new ATOM 0 HG3 MET X 1 13.818 3.068 18.331 1.00 0.00 H new ATOM 0 HE1 MET X 1 10.078 2.235 17.456 1.00 0.00 H new ATOM 0 HE2 MET X 1 11.705 1.530 17.308 1.00 0.00 H new ATOM 0 HE3 MET X 1 11.148 2.161 18.876 1.00 0.00 H new ATOM 19 N GLN X 2 13.109 3.938 13.747 1.00 0.00 N ATOM 20 CA GLN X 2 13.102 2.881 12.746 1.00 0.00 C ATOM 21 C GLN X 2 13.760 3.362 11.459 1.00 0.00 C ATOM 22 O GLN X 2 13.514 4.478 11.000 1.00 0.00 O ATOM 23 CB GLN X 2 11.666 2.437 12.458 1.00 0.00 C ATOM 24 CG GLN X 2 10.923 3.548 11.714 1.00 0.00 C ATOM 25 CD GLN X 2 10.866 4.806 12.574 1.00 0.00 C ATOM 26 OE1 GLN X 2 11.088 5.909 12.075 1.00 0.00 O ATOM 27 NE2 GLN X 2 10.583 4.705 13.845 1.00 0.00 N ATOM 0 H GLN X 2 12.304 4.563 13.714 1.00 0.00 H new ATOM 0 HA GLN X 2 13.667 2.034 13.135 1.00 0.00 H new ATOM 0 HB2 GLN X 2 11.670 1.525 11.861 1.00 0.00 H new ATOM 0 HB3 GLN X 2 11.153 2.205 13.391 1.00 0.00 H new ATOM 0 HG2 GLN X 2 11.426 3.765 10.771 1.00 0.00 H new ATOM 0 HG3 GLN X 2 9.913 3.220 11.468 1.00 0.00 H new ATOM 0 HE21 GLN X 2 10.400 3.789 14.255 1.00 0.00 H new ATOM 0 HE22 GLN X 2 10.545 5.542 14.427 1.00 0.00 H new ATOM 36 N TYR X 3 14.595 2.507 10.881 1.00 0.00 N ATOM 37 CA TYR X 3 15.284 2.841 9.643 1.00 0.00 C ATOM 38 C TYR X 3 15.024 1.772 8.599 1.00 0.00 C ATOM 39 O TYR X 3 14.758 0.617 8.933 1.00 0.00 O ATOM 40 CB TYR X 3 16.786 2.954 9.889 1.00 0.00 C ATOM 41 CG TYR X 3 17.031 3.029 11.374 1.00 0.00 C ATOM 42 CD1 TYR X 3 16.784 1.910 12.173 1.00 0.00 C ATOM 43 CD2 TYR X 3 17.491 4.218 11.949 1.00 0.00 C ATOM 44 CE1 TYR X 3 16.998 1.977 13.551 1.00 0.00 C ATOM 45 CE2 TYR X 3 17.702 4.285 13.330 1.00 0.00 C ATOM 46 CZ TYR X 3 17.457 3.164 14.129 1.00 0.00 C ATOM 47 OH TYR X 3 17.660 3.230 15.491 1.00 0.00 O ATOM 0 H TYR X 3 14.810 1.580 11.249 1.00 0.00 H new ATOM 0 HA TYR X 3 14.906 3.798 9.283 1.00 0.00 H new ATOM 0 HB2 TYR X 3 17.304 2.094 9.464 1.00 0.00 H new ATOM 0 HB3 TYR X 3 17.183 3.841 9.396 1.00 0.00 H new ATOM 0 HD1 TYR X 3 16.428 0.994 11.725 1.00 0.00 H new ATOM 0 HD2 TYR X 3 17.683 5.081 11.329 1.00 0.00 H new ATOM 0 HE1 TYR X 3 16.809 1.112 14.170 1.00 0.00 H new ATOM 0 HE2 TYR X 3 18.054 5.202 13.779 1.00 0.00 H new ATOM 0 HH TYR X 3 18.482 2.749 15.723 1.00 0.00 H new ATOM 57 N LYS X 4 15.097 2.161 7.337 1.00 0.00 N ATOM 58 CA LYS X 4 14.861 1.218 6.255 1.00 0.00 C ATOM 59 C LYS X 4 16.099 1.081 5.386 1.00 0.00 C ATOM 60 O LYS X 4 16.806 2.056 5.128 1.00 0.00 O ATOM 61 CB LYS X 4 13.680 1.685 5.402 1.00 0.00 C ATOM 62 CG LYS X 4 12.940 0.470 4.837 1.00 0.00 C ATOM 63 CD LYS X 4 11.583 0.911 4.284 1.00 0.00 C ATOM 64 CE LYS X 4 11.796 1.860 3.103 1.00 0.00 C ATOM 65 NZ LYS X 4 12.841 1.302 2.199 1.00 0.00 N ATOM 0 H LYS X 4 15.315 3.111 7.038 1.00 0.00 H new ATOM 0 HA LYS X 4 14.630 0.246 6.690 1.00 0.00 H new ATOM 0 HB2 LYS X 4 13.001 2.289 6.003 1.00 0.00 H new ATOM 0 HB3 LYS X 4 14.034 2.318 4.588 1.00 0.00 H new ATOM 0 HG2 LYS X 4 13.532 0.004 4.049 1.00 0.00 H new ATOM 0 HG3 LYS X 4 12.801 -0.279 5.616 1.00 0.00 H new ATOM 0 HD2 LYS X 4 11.008 0.041 3.966 1.00 0.00 H new ATOM 0 HD3 LYS X 4 11.005 1.408 5.063 1.00 0.00 H new ATOM 0 HE2 LYS X 4 10.862 1.994 2.557 1.00 0.00 H new ATOM 0 HE3 LYS X 4 12.099 2.843 3.463 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 12.703 1.674 1.238 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 13.782 1.578 2.545 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 12.768 0.265 2.183 1.00 0.00 H new ATOM 79 N LEU X 5 16.351 -0.135 4.933 1.00 0.00 N ATOM 80 CA LEU X 5 17.499 -0.401 4.086 1.00 0.00 C ATOM 81 C LEU X 5 17.033 -0.758 2.681 1.00 0.00 C ATOM 82 O LEU X 5 16.323 -1.744 2.484 1.00 0.00 O ATOM 83 CB LEU X 5 18.315 -1.556 4.663 1.00 0.00 C ATOM 84 CG LEU X 5 19.811 -1.223 4.616 1.00 0.00 C ATOM 85 CD1 LEU X 5 20.619 -2.509 4.812 1.00 0.00 C ATOM 86 CD2 LEU X 5 20.174 -0.605 3.260 1.00 0.00 C ATOM 0 H LEU X 5 15.776 -0.952 5.138 1.00 0.00 H new ATOM 0 HA LEU X 5 18.122 0.492 4.043 1.00 0.00 H new ATOM 0 HB2 LEU X 5 18.010 -1.748 5.692 1.00 0.00 H new ATOM 0 HB3 LEU X 5 18.120 -2.467 4.097 1.00 0.00 H new ATOM 0 HG LEU X 5 20.042 -0.510 5.407 1.00 0.00 H new ATOM 0 HD11 LEU X 5 21.684 -2.278 4.779 1.00 0.00 H new ATOM 0 HD12 LEU X 5 20.373 -2.950 5.778 1.00 0.00 H new ATOM 0 HD13 LEU X 5 20.377 -3.216 4.018 1.00 0.00 H new ATOM 0 HD21 LEU X 5 21.239 -0.373 3.239 1.00 0.00 H new ATOM 0 HD22 LEU X 5 19.941 -1.312 2.464 1.00 0.00 H new ATOM 0 HD23 LEU X 5 19.600 0.310 3.112 1.00 0.00 H new ATOM 98 N ILE X 6 17.441 0.044 1.706 1.00 0.00 N ATOM 99 CA ILE X 6 17.060 -0.204 0.323 1.00 0.00 C ATOM 100 C ILE X 6 18.281 -0.527 -0.519 1.00 0.00 C ATOM 101 O ILE X 6 19.270 0.205 -0.501 1.00 0.00 O ATOM 102 CB ILE X 6 16.360 1.018 -0.261 1.00 0.00 C ATOM 103 CG1 ILE X 6 14.907 1.030 0.201 1.00 0.00 C ATOM 104 CG2 ILE X 6 16.412 0.953 -1.788 1.00 0.00 C ATOM 105 CD1 ILE X 6 14.066 0.146 -0.722 1.00 0.00 C ATOM 0 H ILE X 6 18.031 0.865 1.846 1.00 0.00 H new ATOM 0 HA ILE X 6 16.379 -1.055 0.309 1.00 0.00 H new ATOM 0 HB ILE X 6 16.859 1.926 0.078 1.00 0.00 H new ATOM 0 HG12 ILE X 6 14.839 0.670 1.227 1.00 0.00 H new ATOM 0 HG13 ILE X 6 14.522 2.050 0.195 1.00 0.00 H new ATOM 0 HG21 ILE X 6 15.912 1.826 -2.207 1.00 0.00 H new ATOM 0 HG22 ILE X 6 17.451 0.938 -2.116 1.00 0.00 H new ATOM 0 HG23 ILE X 6 15.910 0.048 -2.131 1.00 0.00 H new ATOM 0 HD11 ILE X 6 13.028 0.156 -0.389 1.00 0.00 H new ATOM 0 HD12 ILE X 6 14.124 0.526 -1.742 1.00 0.00 H new ATOM 0 HD13 ILE X 6 14.446 -0.875 -0.693 1.00 0.00 H new ATOM 117 N LEU X 7 18.204 -1.618 -1.267 1.00 0.00 N ATOM 118 CA LEU X 7 19.307 -2.015 -2.121 1.00 0.00 C ATOM 119 C LEU X 7 18.907 -1.900 -3.587 1.00 0.00 C ATOM 120 O LEU X 7 17.848 -2.381 -3.992 1.00 0.00 O ATOM 121 CB LEU X 7 19.725 -3.451 -1.808 1.00 0.00 C ATOM 122 CG LEU X 7 20.794 -3.440 -0.713 1.00 0.00 C ATOM 123 CD1 LEU X 7 20.347 -2.520 0.427 1.00 0.00 C ATOM 124 CD2 LEU X 7 20.990 -4.859 -0.175 1.00 0.00 C ATOM 0 H LEU X 7 17.395 -2.238 -1.298 1.00 0.00 H new ATOM 0 HA LEU X 7 20.150 -1.351 -1.932 1.00 0.00 H new ATOM 0 HB2 LEU X 7 18.861 -4.031 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU X 7 20.113 -3.933 -2.706 1.00 0.00 H new ATOM 0 HG LEU X 7 21.734 -3.076 -1.128 1.00 0.00 H new ATOM 0 HD11 LEU X 7 21.108 -2.512 1.207 1.00 0.00 H new ATOM 0 HD12 LEU X 7 20.208 -1.509 0.045 1.00 0.00 H new ATOM 0 HD13 LEU X 7 19.407 -2.884 0.841 1.00 0.00 H new ATOM 0 HD21 LEU X 7 21.752 -4.851 0.605 1.00 0.00 H new ATOM 0 HD22 LEU X 7 20.050 -5.224 0.239 1.00 0.00 H new ATOM 0 HD23 LEU X 7 21.308 -5.515 -0.986 1.00 0.00 H new ATOM 136 N ASN X 8 19.756 -1.251 -4.372 1.00 0.00 N ATOM 137 CA ASN X 8 19.480 -1.065 -5.788 1.00 0.00 C ATOM 138 C ASN X 8 20.695 -1.443 -6.624 1.00 0.00 C ATOM 139 O ASN X 8 21.598 -2.135 -6.153 1.00 0.00 O ATOM 140 CB ASN X 8 19.103 0.393 -6.059 1.00 0.00 C ATOM 141 CG ASN X 8 18.363 0.972 -4.858 1.00 0.00 C ATOM 142 OD1 ASN X 8 17.142 0.845 -4.761 1.00 0.00 O ATOM 143 ND2 ASN X 8 19.032 1.607 -3.935 1.00 0.00 N ATOM 0 H ASN X 8 20.637 -0.847 -4.054 1.00 0.00 H new ATOM 0 HA ASN X 8 18.648 -1.712 -6.065 1.00 0.00 H new ATOM 0 HB2 ASN X 8 20.000 0.978 -6.260 1.00 0.00 H new ATOM 0 HB3 ASN X 8 18.476 0.456 -6.948 1.00 0.00 H new ATOM 0 HD21 ASN X 8 18.544 2.000 -3.130 1.00 0.00 H new ATOM 0 HD22 ASN X 8 20.043 1.710 -4.018 1.00 0.00 H new ATOM 150 N GLY X 9 20.703 -0.986 -7.867 1.00 0.00 N ATOM 151 CA GLY X 9 21.805 -1.278 -8.776 1.00 0.00 C ATOM 152 C GLY X 9 21.276 -1.680 -10.148 1.00 0.00 C ATOM 153 O GLY X 9 20.073 -1.616 -10.404 1.00 0.00 O ATOM 0 H GLY X 9 19.962 -0.413 -8.270 1.00 0.00 H new ATOM 0 HA2 GLY X 9 22.448 -0.403 -8.870 1.00 0.00 H new ATOM 0 HA3 GLY X 9 22.418 -2.081 -8.367 1.00 0.00 H new ATOM 157 N LYS X 10 22.181 -2.087 -11.030 1.00 0.00 N ATOM 158 CA LYS X 10 21.792 -2.488 -12.375 1.00 0.00 C ATOM 159 C LYS X 10 21.157 -3.874 -12.365 1.00 0.00 C ATOM 160 O LYS X 10 20.108 -4.089 -12.972 1.00 0.00 O ATOM 161 CB LYS X 10 23.012 -2.487 -13.298 1.00 0.00 C ATOM 162 CG LYS X 10 24.229 -3.028 -12.541 1.00 0.00 C ATOM 163 CD LYS X 10 25.244 -1.905 -12.323 1.00 0.00 C ATOM 164 CE LYS X 10 24.748 -0.976 -11.212 1.00 0.00 C ATOM 165 NZ LYS X 10 25.723 0.132 -11.017 1.00 0.00 N ATOM 0 H LYS X 10 23.181 -2.148 -10.840 1.00 0.00 H new ATOM 0 HA LYS X 10 21.059 -1.771 -12.745 1.00 0.00 H new ATOM 0 HB2 LYS X 10 22.816 -3.100 -14.177 1.00 0.00 H new ATOM 0 HB3 LYS X 10 23.212 -1.476 -13.653 1.00 0.00 H new ATOM 0 HG2 LYS X 10 23.918 -3.441 -11.581 1.00 0.00 H new ATOM 0 HG3 LYS X 10 24.687 -3.841 -13.104 1.00 0.00 H new ATOM 0 HD2 LYS X 10 26.214 -2.324 -12.055 1.00 0.00 H new ATOM 0 HD3 LYS X 10 25.384 -1.343 -13.246 1.00 0.00 H new ATOM 0 HE2 LYS X 10 23.770 -0.572 -11.472 1.00 0.00 H new ATOM 0 HE3 LYS X 10 24.626 -1.535 -10.284 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 25.304 0.859 -10.402 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 26.587 -0.240 -10.574 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 25.959 0.553 -11.938 1.00 0.00 H new ATOM 179 N THR X 11 21.798 -4.809 -11.676 1.00 0.00 N ATOM 180 CA THR X 11 21.284 -6.171 -11.599 1.00 0.00 C ATOM 181 C THR X 11 21.120 -6.602 -10.147 1.00 0.00 C ATOM 182 O THR X 11 21.040 -7.794 -9.850 1.00 0.00 O ATOM 183 CB THR X 11 22.242 -7.128 -12.312 1.00 0.00 C ATOM 184 OG1 THR X 11 23.559 -6.937 -11.812 1.00 0.00 O ATOM 185 CG2 THR X 11 22.220 -6.845 -13.816 1.00 0.00 C ATOM 0 H THR X 11 22.667 -4.652 -11.166 1.00 0.00 H new ATOM 0 HA THR X 11 20.309 -6.200 -12.085 1.00 0.00 H new ATOM 0 HB THR X 11 21.930 -8.157 -12.132 1.00 0.00 H new ATOM 0 HG1 THR X 11 24.174 -7.550 -12.266 1.00 0.00 H new ATOM 0 HG21 THR X 11 22.902 -7.526 -14.324 1.00 0.00 H new ATOM 0 HG22 THR X 11 21.210 -6.990 -14.199 1.00 0.00 H new ATOM 0 HG23 THR X 11 22.532 -5.817 -13.997 1.00 0.00 H new ATOM 193 N LEU X 12 21.077 -5.627 -9.245 1.00 0.00 N ATOM 194 CA LEU X 12 20.934 -5.928 -7.825 1.00 0.00 C ATOM 195 C LEU X 12 19.905 -5.017 -7.163 1.00 0.00 C ATOM 196 O LEU X 12 20.093 -3.803 -7.092 1.00 0.00 O ATOM 197 CB LEU X 12 22.275 -5.751 -7.119 1.00 0.00 C ATOM 198 CG LEU X 12 22.183 -6.349 -5.714 1.00 0.00 C ATOM 199 CD1 LEU X 12 22.396 -7.861 -5.797 1.00 0.00 C ATOM 200 CD2 LEU X 12 23.258 -5.729 -4.814 1.00 0.00 C ATOM 0 H LEU X 12 21.138 -4.633 -9.468 1.00 0.00 H new ATOM 0 HA LEU X 12 20.595 -6.960 -7.739 1.00 0.00 H new ATOM 0 HB2 LEU X 12 23.066 -6.242 -7.686 1.00 0.00 H new ATOM 0 HB3 LEU X 12 22.533 -4.694 -7.062 1.00 0.00 H new ATOM 0 HG LEU X 12 21.200 -6.138 -5.293 1.00 0.00 H new ATOM 0 HD11 LEU X 12 22.332 -8.293 -4.798 1.00 0.00 H new ATOM 0 HD12 LEU X 12 21.629 -8.302 -6.433 1.00 0.00 H new ATOM 0 HD13 LEU X 12 23.380 -8.067 -6.219 1.00 0.00 H new ATOM 0 HD21 LEU X 12 23.188 -6.158 -3.815 1.00 0.00 H new ATOM 0 HD22 LEU X 12 24.244 -5.936 -5.230 1.00 0.00 H new ATOM 0 HD23 LEU X 12 23.107 -4.651 -4.757 1.00 0.00 H new ATOM 212 N LYS X 13 18.828 -5.612 -6.661 1.00 0.00 N ATOM 213 CA LYS X 13 17.791 -4.845 -5.985 1.00 0.00 C ATOM 214 C LYS X 13 17.259 -5.613 -4.784 1.00 0.00 C ATOM 215 O LYS X 13 17.053 -6.825 -4.850 1.00 0.00 O ATOM 216 CB LYS X 13 16.629 -4.547 -6.930 1.00 0.00 C ATOM 217 CG LYS X 13 15.411 -4.136 -6.098 1.00 0.00 C ATOM 218 CD LYS X 13 14.554 -5.367 -5.802 1.00 0.00 C ATOM 219 CE LYS X 13 13.400 -5.437 -6.804 1.00 0.00 C ATOM 220 NZ LYS X 13 12.468 -6.530 -6.409 1.00 0.00 N ATOM 0 H LYS X 13 18.652 -6.616 -6.709 1.00 0.00 H new ATOM 0 HA LYS X 13 18.238 -3.907 -5.656 1.00 0.00 H new ATOM 0 HB2 LYS X 13 16.900 -3.750 -7.622 1.00 0.00 H new ATOM 0 HB3 LYS X 13 16.396 -5.426 -7.531 1.00 0.00 H new ATOM 0 HG2 LYS X 13 15.734 -3.673 -5.166 1.00 0.00 H new ATOM 0 HG3 LYS X 13 14.824 -3.392 -6.637 1.00 0.00 H new ATOM 0 HD2 LYS X 13 15.161 -6.270 -5.866 1.00 0.00 H new ATOM 0 HD3 LYS X 13 14.165 -5.316 -4.785 1.00 0.00 H new ATOM 0 HE2 LYS X 13 12.870 -4.485 -6.833 1.00 0.00 H new ATOM 0 HE3 LYS X 13 13.785 -5.618 -7.807 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 11.683 -6.579 -7.089 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 12.978 -7.436 -6.403 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 12.091 -6.339 -5.459 1.00 0.00 H new ATOM 234 N GLY X 14 17.030 -4.899 -3.693 1.00 0.00 N ATOM 235 CA GLY X 14 16.512 -5.516 -2.484 1.00 0.00 C ATOM 236 C GLY X 14 15.970 -4.457 -1.537 1.00 0.00 C ATOM 237 O GLY X 14 16.404 -3.305 -1.564 1.00 0.00 O ATOM 0 H GLY X 14 17.194 -3.895 -3.621 1.00 0.00 H new ATOM 0 HA2 GLY X 14 15.723 -6.223 -2.739 1.00 0.00 H new ATOM 0 HA3 GLY X 14 17.301 -6.084 -1.991 1.00 0.00 H new ATOM 241 N GLU X 15 15.031 -4.858 -0.687 1.00 0.00 N ATOM 242 CA GLU X 15 14.448 -3.940 0.281 1.00 0.00 C ATOM 243 C GLU X 15 14.481 -4.567 1.668 1.00 0.00 C ATOM 244 O GLU X 15 14.207 -5.757 1.826 1.00 0.00 O ATOM 245 CB GLU X 15 13.005 -3.609 -0.103 1.00 0.00 C ATOM 246 CG GLU X 15 12.274 -3.035 1.111 1.00 0.00 C ATOM 247 CD GLU X 15 10.964 -2.388 0.673 1.00 0.00 C ATOM 248 OE1 GLU X 15 10.326 -2.930 -0.213 1.00 0.00 O ATOM 249 OE2 GLU X 15 10.620 -1.359 1.231 1.00 0.00 O ATOM 0 H GLU X 15 14.660 -5.807 -0.649 1.00 0.00 H new ATOM 0 HA GLU X 15 15.030 -3.018 0.287 1.00 0.00 H new ATOM 0 HB2 GLU X 15 12.991 -2.891 -0.923 1.00 0.00 H new ATOM 0 HB3 GLU X 15 12.497 -4.506 -0.457 1.00 0.00 H new ATOM 0 HG2 GLU X 15 12.075 -3.826 1.833 1.00 0.00 H new ATOM 0 HG3 GLU X 15 12.904 -2.299 1.610 1.00 0.00 H new ATOM 256 N THR X 16 14.837 -3.772 2.668 1.00 0.00 N ATOM 257 CA THR X 16 14.920 -4.283 4.030 1.00 0.00 C ATOM 258 C THR X 16 14.337 -3.295 5.035 1.00 0.00 C ATOM 259 O THR X 16 14.213 -2.102 4.756 1.00 0.00 O ATOM 260 CB THR X 16 16.385 -4.555 4.385 1.00 0.00 C ATOM 261 OG1 THR X 16 17.176 -4.484 3.206 1.00 0.00 O ATOM 262 CG2 THR X 16 16.514 -5.947 5.005 1.00 0.00 C ATOM 0 H THR X 16 15.070 -2.784 2.565 1.00 0.00 H new ATOM 0 HA THR X 16 14.340 -5.204 4.079 1.00 0.00 H new ATOM 0 HB THR X 16 16.730 -3.809 5.101 1.00 0.00 H new ATOM 0 HG1 THR X 16 18.114 -4.656 3.431 1.00 0.00 H new ATOM 0 HG21 THR X 16 17.557 -6.138 5.257 1.00 0.00 H new ATOM 0 HG22 THR X 16 15.907 -6.000 5.909 1.00 0.00 H new ATOM 0 HG23 THR X 16 16.170 -6.696 4.292 1.00 0.00 H new ATOM 270 N THR X 17 13.998 -3.811 6.210 1.00 0.00 N ATOM 271 CA THR X 17 13.445 -2.987 7.276 1.00 0.00 C ATOM 272 C THR X 17 13.989 -3.461 8.619 1.00 0.00 C ATOM 273 O THR X 17 13.976 -4.655 8.916 1.00 0.00 O ATOM 274 CB THR X 17 11.916 -3.075 7.273 1.00 0.00 C ATOM 275 OG1 THR X 17 11.443 -3.104 8.611 1.00 0.00 O ATOM 276 CG2 THR X 17 11.476 -4.347 6.547 1.00 0.00 C ATOM 0 H THR X 17 14.097 -4.798 6.448 1.00 0.00 H new ATOM 0 HA THR X 17 13.736 -1.949 7.113 1.00 0.00 H new ATOM 0 HB THR X 17 11.504 -2.206 6.760 1.00 0.00 H new ATOM 0 HG1 THR X 17 10.465 -3.159 8.611 1.00 0.00 H new ATOM 0 HG21 THR X 17 10.388 -4.407 6.546 1.00 0.00 H new ATOM 0 HG22 THR X 17 11.839 -4.324 5.519 1.00 0.00 H new ATOM 0 HG23 THR X 17 11.887 -5.218 7.057 1.00 0.00 H new ATOM 284 N THR X 18 14.479 -2.525 9.424 1.00 0.00 N ATOM 285 CA THR X 18 15.037 -2.879 10.724 1.00 0.00 C ATOM 286 C THR X 18 14.689 -1.833 11.773 1.00 0.00 C ATOM 287 O THR X 18 14.498 -0.658 11.458 1.00 0.00 O ATOM 288 CB THR X 18 16.556 -3.003 10.628 1.00 0.00 C ATOM 289 OG1 THR X 18 16.908 -3.504 9.346 1.00 0.00 O ATOM 290 CG2 THR X 18 17.064 -3.960 11.709 1.00 0.00 C ATOM 0 H THR X 18 14.502 -1.529 9.204 1.00 0.00 H new ATOM 0 HA THR X 18 14.605 -3.834 11.022 1.00 0.00 H new ATOM 0 HB THR X 18 17.010 -2.023 10.774 1.00 0.00 H new ATOM 0 HG1 THR X 18 17.883 -3.583 9.282 1.00 0.00 H new ATOM 0 HG21 THR X 18 18.148 -4.047 11.638 1.00 0.00 H new ATOM 0 HG22 THR X 18 16.794 -3.574 12.692 1.00 0.00 H new ATOM 0 HG23 THR X 18 16.612 -4.942 11.568 1.00 0.00 H new ATOM 298 N GLU X 19 14.616 -2.272 13.021 1.00 0.00 N ATOM 299 CA GLU X 19 14.299 -1.373 14.119 1.00 0.00 C ATOM 300 C GLU X 19 15.409 -1.401 15.165 1.00 0.00 C ATOM 301 O GLU X 19 15.921 -2.465 15.511 1.00 0.00 O ATOM 302 CB GLU X 19 12.975 -1.780 14.760 1.00 0.00 C ATOM 303 CG GLU X 19 12.146 -0.529 15.039 1.00 0.00 C ATOM 304 CD GLU X 19 10.966 -0.879 15.938 1.00 0.00 C ATOM 305 OE1 GLU X 19 11.174 -1.596 16.903 1.00 0.00 O ATOM 306 OE2 GLU X 19 9.871 -0.426 15.649 1.00 0.00 O ATOM 0 H GLU X 19 14.771 -3.242 13.297 1.00 0.00 H new ATOM 0 HA GLU X 19 14.211 -0.360 13.726 1.00 0.00 H new ATOM 0 HB2 GLU X 19 12.429 -2.453 14.099 1.00 0.00 H new ATOM 0 HB3 GLU X 19 13.158 -2.324 15.687 1.00 0.00 H new ATOM 0 HG2 GLU X 19 12.766 0.230 15.517 1.00 0.00 H new ATOM 0 HG3 GLU X 19 11.787 -0.104 14.102 1.00 0.00 H new ATOM 313 N ALA X 20 15.779 -0.224 15.656 1.00 0.00 N ATOM 314 CA ALA X 20 16.835 -0.122 16.656 1.00 0.00 C ATOM 315 C ALA X 20 16.560 1.026 17.614 1.00 0.00 C ATOM 316 O ALA X 20 15.595 1.773 17.450 1.00 0.00 O ATOM 317 CB ALA X 20 18.186 0.111 15.978 1.00 0.00 C ATOM 0 H ALA X 20 15.367 0.667 15.380 1.00 0.00 H new ATOM 0 HA ALA X 20 16.859 -1.058 17.214 1.00 0.00 H new ATOM 0 HB1 ALA X 20 18.966 0.185 16.736 1.00 0.00 H new ATOM 0 HB2 ALA X 20 18.407 -0.722 15.311 1.00 0.00 H new ATOM 0 HB3 ALA X 20 18.150 1.036 15.403 1.00 0.00 H new ATOM 323 N VAL X 21 17.432 1.171 18.602 1.00 0.00 N ATOM 324 CA VAL X 21 17.299 2.243 19.572 1.00 0.00 C ATOM 325 C VAL X 21 17.619 3.570 18.912 1.00 0.00 C ATOM 326 O VAL X 21 16.980 4.588 19.180 1.00 0.00 O ATOM 327 CB VAL X 21 18.268 2.018 20.728 1.00 0.00 C ATOM 328 CG1 VAL X 21 19.696 1.931 20.186 1.00 0.00 C ATOM 329 CG2 VAL X 21 18.165 3.185 21.711 1.00 0.00 C ATOM 0 H VAL X 21 18.236 0.561 18.751 1.00 0.00 H new ATOM 0 HA VAL X 21 16.276 2.255 19.949 1.00 0.00 H new ATOM 0 HB VAL X 21 18.017 1.089 21.239 1.00 0.00 H new ATOM 0 HG11 VAL X 21 20.389 1.770 21.012 1.00 0.00 H new ATOM 0 HG12 VAL X 21 19.769 1.100 19.484 1.00 0.00 H new ATOM 0 HG13 VAL X 21 19.949 2.860 19.676 1.00 0.00 H new ATOM 0 HG21 VAL X 21 18.857 3.026 22.538 1.00 0.00 H new ATOM 0 HG22 VAL X 21 18.417 4.114 21.200 1.00 0.00 H new ATOM 0 HG23 VAL X 21 17.147 3.248 22.096 1.00 0.00 H new ATOM 339 N ASP X 22 18.621 3.546 18.049 1.00 0.00 N ATOM 340 CA ASP X 22 19.039 4.743 17.346 1.00 0.00 C ATOM 341 C ASP X 22 19.737 4.368 16.052 1.00 0.00 C ATOM 342 O ASP X 22 20.050 3.200 15.819 1.00 0.00 O ATOM 343 CB ASP X 22 19.989 5.556 18.221 1.00 0.00 C ATOM 344 CG ASP X 22 21.309 4.812 18.383 1.00 0.00 C ATOM 345 OD1 ASP X 22 22.001 4.652 17.391 1.00 0.00 O ATOM 346 OD2 ASP X 22 21.608 4.410 19.496 1.00 0.00 O ATOM 0 H ASP X 22 19.159 2.710 17.820 1.00 0.00 H new ATOM 0 HA ASP X 22 18.158 5.342 17.118 1.00 0.00 H new ATOM 0 HB2 ASP X 22 20.165 6.533 17.771 1.00 0.00 H new ATOM 0 HB3 ASP X 22 19.538 5.731 19.198 1.00 0.00 H new ATOM 351 N ALA X 23 19.980 5.366 15.211 1.00 0.00 N ATOM 352 CA ALA X 23 20.643 5.131 13.937 1.00 0.00 C ATOM 353 C ALA X 23 22.114 4.813 14.154 1.00 0.00 C ATOM 354 O ALA X 23 22.721 4.082 13.373 1.00 0.00 O ATOM 355 CB ALA X 23 20.504 6.362 13.041 1.00 0.00 C ATOM 0 H ALA X 23 19.729 6.339 15.387 1.00 0.00 H new ATOM 0 HA ALA X 23 20.169 4.278 13.451 1.00 0.00 H new ATOM 0 HB1 ALA X 23 21.003 6.178 12.090 1.00 0.00 H new ATOM 0 HB2 ALA X 23 19.448 6.565 12.864 1.00 0.00 H new ATOM 0 HB3 ALA X 23 20.962 7.222 13.530 1.00 0.00 H new ATOM 361 N ALA X 24 22.687 5.358 15.222 1.00 0.00 N ATOM 362 CA ALA X 24 24.087 5.105 15.518 1.00 0.00 C ATOM 363 C ALA X 24 24.310 3.604 15.632 1.00 0.00 C ATOM 364 O ALA X 24 25.322 3.078 15.170 1.00 0.00 O ATOM 365 CB ALA X 24 24.487 5.787 16.829 1.00 0.00 C ATOM 0 H ALA X 24 22.210 5.968 15.886 1.00 0.00 H new ATOM 0 HA ALA X 24 24.701 5.510 14.714 1.00 0.00 H new ATOM 0 HB1 ALA X 24 25.538 5.588 17.037 1.00 0.00 H new ATOM 0 HB2 ALA X 24 24.332 6.862 16.742 1.00 0.00 H new ATOM 0 HB3 ALA X 24 23.876 5.397 17.643 1.00 0.00 H new ATOM 371 N THR X 25 23.346 2.918 16.235 1.00 0.00 N ATOM 372 CA THR X 25 23.435 1.474 16.386 1.00 0.00 C ATOM 373 C THR X 25 23.088 0.785 15.071 1.00 0.00 C ATOM 374 O THR X 25 23.797 -0.112 14.618 1.00 0.00 O ATOM 375 CB THR X 25 22.477 1.003 17.482 1.00 0.00 C ATOM 376 OG1 THR X 25 21.197 1.582 17.271 1.00 0.00 O ATOM 377 CG2 THR X 25 23.013 1.429 18.850 1.00 0.00 C ATOM 0 H THR X 25 22.501 3.336 16.624 1.00 0.00 H new ATOM 0 HA THR X 25 24.456 1.214 16.665 1.00 0.00 H new ATOM 0 HB THR X 25 22.394 -0.083 17.450 1.00 0.00 H new ATOM 0 HG1 THR X 25 21.251 2.241 16.547 1.00 0.00 H new ATOM 0 HG21 THR X 25 22.329 1.093 19.629 1.00 0.00 H new ATOM 0 HG22 THR X 25 23.995 0.983 19.011 1.00 0.00 H new ATOM 0 HG23 THR X 25 23.098 2.515 18.886 1.00 0.00 H new ATOM 385 N ALA X 26 21.986 1.217 14.469 1.00 0.00 N ATOM 386 CA ALA X 26 21.534 0.647 13.205 1.00 0.00 C ATOM 387 C ALA X 26 22.492 1.010 12.073 1.00 0.00 C ATOM 388 O ALA X 26 22.751 0.199 11.184 1.00 0.00 O ATOM 389 CB ALA X 26 20.133 1.162 12.877 1.00 0.00 C ATOM 0 H ALA X 26 21.390 1.959 14.835 1.00 0.00 H new ATOM 0 HA ALA X 26 21.511 -0.438 13.305 1.00 0.00 H new ATOM 0 HB1 ALA X 26 19.800 0.733 11.932 1.00 0.00 H new ATOM 0 HB2 ALA X 26 19.444 0.872 13.670 1.00 0.00 H new ATOM 0 HB3 ALA X 26 20.155 2.249 12.795 1.00 0.00 H new ATOM 395 N GLU X 27 23.004 2.237 12.106 1.00 0.00 N ATOM 396 CA GLU X 27 23.920 2.704 11.070 1.00 0.00 C ATOM 397 C GLU X 27 25.097 1.756 10.923 1.00 0.00 C ATOM 398 O GLU X 27 25.513 1.431 9.811 1.00 0.00 O ATOM 399 CB GLU X 27 24.447 4.091 11.434 1.00 0.00 C ATOM 400 CG GLU X 27 25.601 4.461 10.500 1.00 0.00 C ATOM 401 CD GLU X 27 26.037 5.899 10.755 1.00 0.00 C ATOM 402 OE1 GLU X 27 25.428 6.542 11.593 1.00 0.00 O ATOM 403 OE2 GLU X 27 26.975 6.337 10.108 1.00 0.00 O ATOM 0 H GLU X 27 22.802 2.922 12.834 1.00 0.00 H new ATOM 0 HA GLU X 27 23.374 2.744 10.127 1.00 0.00 H new ATOM 0 HB2 GLU X 27 23.648 4.828 11.352 1.00 0.00 H new ATOM 0 HB3 GLU X 27 24.786 4.102 12.470 1.00 0.00 H new ATOM 0 HG2 GLU X 27 26.440 3.784 10.660 1.00 0.00 H new ATOM 0 HG3 GLU X 27 25.291 4.345 9.462 1.00 0.00 H new ATOM 410 N LYS X 28 25.627 1.310 12.050 1.00 0.00 N ATOM 411 CA LYS X 28 26.753 0.394 12.031 1.00 0.00 C ATOM 412 C LYS X 28 26.311 -0.959 11.488 1.00 0.00 C ATOM 413 O LYS X 28 27.045 -1.619 10.753 1.00 0.00 O ATOM 414 CB LYS X 28 27.306 0.234 13.446 1.00 0.00 C ATOM 415 CG LYS X 28 28.821 0.022 13.387 1.00 0.00 C ATOM 416 CD LYS X 28 29.534 1.348 13.660 1.00 0.00 C ATOM 417 CE LYS X 28 29.227 2.336 12.534 1.00 0.00 C ATOM 418 NZ LYS X 28 30.080 3.548 12.691 1.00 0.00 N ATOM 0 H LYS X 28 25.299 1.565 12.981 1.00 0.00 H new ATOM 0 HA LYS X 28 27.533 0.795 11.385 1.00 0.00 H new ATOM 0 HB2 LYS X 28 27.076 1.119 14.039 1.00 0.00 H new ATOM 0 HB3 LYS X 28 26.829 -0.613 13.939 1.00 0.00 H new ATOM 0 HG2 LYS X 28 29.123 -0.724 14.122 1.00 0.00 H new ATOM 0 HG3 LYS X 28 29.107 -0.362 12.408 1.00 0.00 H new ATOM 0 HD2 LYS X 28 29.208 1.758 14.616 1.00 0.00 H new ATOM 0 HD3 LYS X 28 30.609 1.186 13.732 1.00 0.00 H new ATOM 0 HE2 LYS X 28 29.413 1.870 11.566 1.00 0.00 H new ATOM 0 HE3 LYS X 28 28.173 2.614 12.557 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 29.872 4.221 11.926 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 29.882 3.996 13.609 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 31.083 3.275 12.649 1.00 0.00 H new ATOM 432 N VAL X 29 25.098 -1.361 11.855 1.00 0.00 N ATOM 433 CA VAL X 29 24.548 -2.633 11.403 1.00 0.00 C ATOM 434 C VAL X 29 24.230 -2.586 9.910 1.00 0.00 C ATOM 435 O VAL X 29 24.447 -3.561 9.191 1.00 0.00 O ATOM 436 CB VAL X 29 23.276 -2.958 12.188 1.00 0.00 C ATOM 437 CG1 VAL X 29 22.501 -4.062 11.469 1.00 0.00 C ATOM 438 CG2 VAL X 29 23.653 -3.432 13.594 1.00 0.00 C ATOM 0 H VAL X 29 24.479 -0.825 12.463 1.00 0.00 H new ATOM 0 HA VAL X 29 25.293 -3.410 11.576 1.00 0.00 H new ATOM 0 HB VAL X 29 22.654 -2.066 12.259 1.00 0.00 H new ATOM 0 HG11 VAL X 29 21.595 -4.294 12.028 1.00 0.00 H new ATOM 0 HG12 VAL X 29 22.233 -3.726 10.467 1.00 0.00 H new ATOM 0 HG13 VAL X 29 23.122 -4.955 11.398 1.00 0.00 H new ATOM 0 HG21 VAL X 29 22.748 -3.664 14.155 1.00 0.00 H new ATOM 0 HG22 VAL X 29 24.274 -4.325 13.523 1.00 0.00 H new ATOM 0 HG23 VAL X 29 24.206 -2.645 14.107 1.00 0.00 H new ATOM 448 N PHE X 30 23.705 -1.455 9.449 1.00 0.00 N ATOM 449 CA PHE X 30 23.356 -1.313 8.038 1.00 0.00 C ATOM 450 C PHE X 30 24.598 -1.370 7.159 1.00 0.00 C ATOM 451 O PHE X 30 24.604 -2.032 6.122 1.00 0.00 O ATOM 452 CB PHE X 30 22.654 0.022 7.799 1.00 0.00 C ATOM 453 CG PHE X 30 21.238 -0.029 8.322 1.00 0.00 C ATOM 454 CD1 PHE X 30 20.345 -1.004 7.857 1.00 0.00 C ATOM 455 CD2 PHE X 30 20.814 0.912 9.267 1.00 0.00 C ATOM 456 CE1 PHE X 30 19.031 -1.038 8.339 1.00 0.00 C ATOM 457 CE2 PHE X 30 19.499 0.879 9.748 1.00 0.00 C ATOM 458 CZ PHE X 30 18.608 -0.096 9.284 1.00 0.00 C ATOM 0 H PHE X 30 23.514 -0.633 10.022 1.00 0.00 H new ATOM 0 HA PHE X 30 22.692 -2.138 7.779 1.00 0.00 H new ATOM 0 HB2 PHE X 30 23.203 0.823 8.294 1.00 0.00 H new ATOM 0 HB3 PHE X 30 22.647 0.251 6.733 1.00 0.00 H new ATOM 0 HD1 PHE X 30 20.671 -1.730 7.126 1.00 0.00 H new ATOM 0 HD2 PHE X 30 21.501 1.664 9.626 1.00 0.00 H new ATOM 0 HE1 PHE X 30 18.344 -1.791 7.982 1.00 0.00 H new ATOM 0 HE2 PHE X 30 19.172 1.606 10.477 1.00 0.00 H new ATOM 0 HZ PHE X 30 17.594 -0.121 9.655 1.00 0.00 H new ATOM 468 N LYS X 31 25.646 -0.671 7.577 1.00 0.00 N ATOM 469 CA LYS X 31 26.881 -0.655 6.809 1.00 0.00 C ATOM 470 C LYS X 31 27.389 -2.076 6.629 1.00 0.00 C ATOM 471 O LYS X 31 28.013 -2.403 5.619 1.00 0.00 O ATOM 472 CB LYS X 31 27.929 0.196 7.523 1.00 0.00 C ATOM 473 CG LYS X 31 27.351 1.587 7.793 1.00 0.00 C ATOM 474 CD LYS X 31 27.872 2.569 6.744 1.00 0.00 C ATOM 475 CE LYS X 31 27.065 3.868 6.814 1.00 0.00 C ATOM 476 NZ LYS X 31 27.558 4.697 7.951 1.00 0.00 N ATOM 0 H LYS X 31 25.665 -0.115 8.432 1.00 0.00 H new ATOM 0 HA LYS X 31 26.689 -0.220 5.828 1.00 0.00 H new ATOM 0 HB2 LYS X 31 28.222 -0.277 8.460 1.00 0.00 H new ATOM 0 HB3 LYS X 31 28.828 0.275 6.912 1.00 0.00 H new ATOM 0 HG2 LYS X 31 26.262 1.552 7.764 1.00 0.00 H new ATOM 0 HG3 LYS X 31 27.633 1.922 8.791 1.00 0.00 H new ATOM 0 HD2 LYS X 31 28.928 2.775 6.917 1.00 0.00 H new ATOM 0 HD3 LYS X 31 27.791 2.131 5.749 1.00 0.00 H new ATOM 0 HE2 LYS X 31 27.161 4.420 5.879 1.00 0.00 H new ATOM 0 HE3 LYS X 31 26.006 3.645 6.945 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 26.811 5.356 8.250 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 27.813 4.078 8.747 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 28.395 5.236 7.650 1.00 0.00 H new ATOM 490 N GLN X 32 27.098 -2.924 7.608 1.00 0.00 N ATOM 491 CA GLN X 32 27.507 -4.317 7.542 1.00 0.00 C ATOM 492 C GLN X 32 26.737 -5.024 6.433 1.00 0.00 C ATOM 493 O GLN X 32 27.241 -5.954 5.804 1.00 0.00 O ATOM 494 CB GLN X 32 27.252 -5.015 8.880 1.00 0.00 C ATOM 495 CG GLN X 32 27.049 -6.515 8.648 1.00 0.00 C ATOM 496 CD GLN X 32 27.182 -7.269 9.968 1.00 0.00 C ATOM 497 OE1 GLN X 32 26.237 -7.926 10.405 1.00 0.00 O ATOM 498 NE2 GLN X 32 28.303 -7.209 10.632 1.00 0.00 N ATOM 0 H GLN X 32 26.583 -2.671 8.452 1.00 0.00 H new ATOM 0 HA GLN X 32 28.575 -4.360 7.327 1.00 0.00 H new ATOM 0 HB2 GLN X 32 28.094 -4.852 9.553 1.00 0.00 H new ATOM 0 HB3 GLN X 32 26.372 -4.589 9.362 1.00 0.00 H new ATOM 0 HG2 GLN X 32 26.065 -6.695 8.214 1.00 0.00 H new ATOM 0 HG3 GLN X 32 27.785 -6.884 7.933 1.00 0.00 H new ATOM 0 HE21 GLN X 32 29.084 -6.664 10.267 1.00 0.00 H new ATOM 0 HE22 GLN X 32 28.399 -7.708 11.517 1.00 0.00 H new ATOM 507 N TYR X 33 25.512 -4.565 6.200 1.00 0.00 N ATOM 508 CA TYR X 33 24.666 -5.145 5.166 1.00 0.00 C ATOM 509 C TYR X 33 25.341 -5.023 3.804 1.00 0.00 C ATOM 510 O TYR X 33 25.394 -5.985 3.038 1.00 0.00 O ATOM 511 CB TYR X 33 23.323 -4.417 5.139 1.00 0.00 C ATOM 512 CG TYR X 33 22.255 -5.329 4.591 1.00 0.00 C ATOM 513 CD1 TYR X 33 22.283 -5.713 3.245 1.00 0.00 C ATOM 514 CD2 TYR X 33 21.230 -5.785 5.429 1.00 0.00 C ATOM 515 CE1 TYR X 33 21.286 -6.555 2.738 1.00 0.00 C ATOM 516 CE2 TYR X 33 20.233 -6.626 4.921 1.00 0.00 C ATOM 517 CZ TYR X 33 20.262 -7.010 3.576 1.00 0.00 C ATOM 518 OH TYR X 33 19.278 -7.838 3.075 1.00 0.00 O ATOM 0 H TYR X 33 25.084 -3.794 6.713 1.00 0.00 H new ATOM 0 HA TYR X 33 24.506 -6.200 5.388 1.00 0.00 H new ATOM 0 HB2 TYR X 33 23.055 -4.093 6.145 1.00 0.00 H new ATOM 0 HB3 TYR X 33 23.398 -3.520 4.524 1.00 0.00 H new ATOM 0 HD1 TYR X 33 23.073 -5.360 2.598 1.00 0.00 H new ATOM 0 HD2 TYR X 33 21.209 -5.488 6.467 1.00 0.00 H new ATOM 0 HE1 TYR X 33 21.307 -6.853 1.700 1.00 0.00 H new ATOM 0 HE2 TYR X 33 19.442 -6.978 5.567 1.00 0.00 H new ATOM 0 HH TYR X 33 18.645 -8.062 3.788 1.00 0.00 H new ATOM 528 N ALA X 34 25.862 -3.837 3.512 1.00 0.00 N ATOM 529 CA ALA X 34 26.540 -3.606 2.243 1.00 0.00 C ATOM 530 C ALA X 34 27.801 -4.460 2.164 1.00 0.00 C ATOM 531 O ALA X 34 28.072 -5.095 1.145 1.00 0.00 O ATOM 532 CB ALA X 34 26.911 -2.127 2.108 1.00 0.00 C ATOM 0 H ALA X 34 25.829 -3.027 4.131 1.00 0.00 H new ATOM 0 HA ALA X 34 25.868 -3.881 1.430 1.00 0.00 H new ATOM 0 HB1 ALA X 34 27.417 -1.964 1.157 1.00 0.00 H new ATOM 0 HB2 ALA X 34 26.006 -1.520 2.146 1.00 0.00 H new ATOM 0 HB3 ALA X 34 27.574 -1.842 2.925 1.00 0.00 H new ATOM 538 N ASN X 35 28.563 -4.472 3.253 1.00 0.00 N ATOM 539 CA ASN X 35 29.791 -5.255 3.304 1.00 0.00 C ATOM 540 C ASN X 35 29.468 -6.745 3.300 1.00 0.00 C ATOM 541 O ASN X 35 30.131 -7.531 2.622 1.00 0.00 O ATOM 542 CB ASN X 35 30.586 -4.904 4.563 1.00 0.00 C ATOM 543 CG ASN X 35 32.073 -4.826 4.234 1.00 0.00 C ATOM 544 OD1 ASN X 35 32.821 -5.765 4.506 1.00 0.00 O ATOM 545 ND2 ASN X 35 32.549 -3.754 3.660 1.00 0.00 N ATOM 0 H ASN X 35 28.354 -3.953 4.105 1.00 0.00 H new ATOM 0 HA ASN X 35 30.390 -5.019 2.424 1.00 0.00 H new ATOM 0 HB2 ASN X 35 30.243 -3.951 4.966 1.00 0.00 H new ATOM 0 HB3 ASN X 35 30.414 -5.656 5.333 1.00 0.00 H new ATOM 0 HD21 ASN X 35 33.542 -3.694 3.436 1.00 0.00 H new ATOM 0 HD22 ASN X 35 31.927 -2.977 3.435 1.00 0.00 H new ATOM 552 N ASP X 36 28.438 -7.127 4.050 1.00 0.00 N ATOM 553 CA ASP X 36 28.030 -8.526 4.111 1.00 0.00 C ATOM 554 C ASP X 36 27.554 -8.976 2.737 1.00 0.00 C ATOM 555 O ASP X 36 27.693 -10.141 2.363 1.00 0.00 O ATOM 556 CB ASP X 36 26.904 -8.704 5.131 1.00 0.00 C ATOM 557 CG ASP X 36 26.449 -10.159 5.160 1.00 0.00 C ATOM 558 OD1 ASP X 36 25.862 -10.593 4.182 1.00 0.00 O ATOM 559 OD2 ASP X 36 26.693 -10.816 6.158 1.00 0.00 O ATOM 0 H ASP X 36 27.876 -6.494 4.619 1.00 0.00 H new ATOM 0 HA ASP X 36 28.882 -9.132 4.419 1.00 0.00 H new ATOM 0 HB2 ASP X 36 27.248 -8.403 6.120 1.00 0.00 H new ATOM 0 HB3 ASP X 36 26.065 -8.057 4.875 1.00 0.00 H new ATOM 564 N ASN X 37 27.007 -8.028 1.989 1.00 0.00 N ATOM 565 CA ASN X 37 26.516 -8.280 0.643 1.00 0.00 C ATOM 566 C ASN X 37 27.373 -7.497 -0.344 1.00 0.00 C ATOM 567 O ASN X 37 26.853 -6.741 -1.162 1.00 0.00 O ATOM 568 CB ASN X 37 25.052 -7.851 0.521 1.00 0.00 C ATOM 569 CG ASN X 37 24.161 -8.828 1.281 1.00 0.00 C ATOM 570 OD1 ASN X 37 23.680 -8.512 2.370 1.00 0.00 O ATOM 571 ND2 ASN X 37 23.911 -10.001 0.771 1.00 0.00 N ATOM 0 H ASN X 37 26.891 -7.063 2.299 1.00 0.00 H new ATOM 0 HA ASN X 37 26.578 -9.346 0.425 1.00 0.00 H new ATOM 0 HB2 ASN X 37 24.925 -6.844 0.918 1.00 0.00 H new ATOM 0 HB3 ASN X 37 24.759 -7.819 -0.528 1.00 0.00 H new ATOM 0 HD21 ASN X 37 23.316 -10.659 1.274 1.00 0.00 H new ATOM 0 HD22 ASN X 37 24.310 -10.261 -0.131 1.00 0.00 H new ATOM 578 N GLY X 38 28.690 -7.693 -0.246 1.00 0.00 N ATOM 579 CA GLY X 38 29.650 -7.015 -1.118 1.00 0.00 C ATOM 580 C GLY X 38 28.972 -6.035 -2.068 1.00 0.00 C ATOM 581 O GLY X 38 29.064 -6.178 -3.286 1.00 0.00 O ATOM 0 H GLY X 38 29.118 -8.321 0.434 1.00 0.00 H new ATOM 0 HA2 GLY X 38 30.379 -6.482 -0.508 1.00 0.00 H new ATOM 0 HA3 GLY X 38 30.200 -7.757 -1.696 1.00 0.00 H new ATOM 585 N VAL X 39 28.288 -5.041 -1.509 1.00 0.00 N ATOM 586 CA VAL X 39 27.602 -4.054 -2.331 1.00 0.00 C ATOM 587 C VAL X 39 28.470 -2.818 -2.529 1.00 0.00 C ATOM 588 O VAL X 39 28.890 -2.177 -1.566 1.00 0.00 O ATOM 589 CB VAL X 39 26.282 -3.644 -1.676 1.00 0.00 C ATOM 590 CG1 VAL X 39 25.714 -2.420 -2.398 1.00 0.00 C ATOM 591 CG2 VAL X 39 25.282 -4.799 -1.770 1.00 0.00 C ATOM 0 H VAL X 39 28.195 -4.900 -0.503 1.00 0.00 H new ATOM 0 HA VAL X 39 27.402 -4.506 -3.302 1.00 0.00 H new ATOM 0 HB VAL X 39 26.458 -3.401 -0.628 1.00 0.00 H new ATOM 0 HG11 VAL X 39 24.773 -2.127 -1.932 1.00 0.00 H new ATOM 0 HG12 VAL X 39 26.424 -1.596 -2.331 1.00 0.00 H new ATOM 0 HG13 VAL X 39 25.539 -2.664 -3.446 1.00 0.00 H new ATOM 0 HG21 VAL X 39 24.342 -4.505 -1.303 1.00 0.00 H new ATOM 0 HG22 VAL X 39 25.106 -5.043 -2.818 1.00 0.00 H new ATOM 0 HG23 VAL X 39 25.685 -5.672 -1.257 1.00 0.00 H new ATOM 601 N ASP X 40 28.720 -2.482 -3.788 1.00 0.00 N ATOM 602 CA ASP X 40 29.524 -1.312 -4.109 1.00 0.00 C ATOM 603 C ASP X 40 28.694 -0.311 -4.902 1.00 0.00 C ATOM 604 O ASP X 40 28.386 -0.536 -6.072 1.00 0.00 O ATOM 605 CB ASP X 40 30.752 -1.722 -4.923 1.00 0.00 C ATOM 606 CG ASP X 40 31.647 -0.512 -5.163 1.00 0.00 C ATOM 607 OD1 ASP X 40 31.148 0.477 -5.674 1.00 0.00 O ATOM 608 OD2 ASP X 40 32.819 -0.591 -4.830 1.00 0.00 O ATOM 0 H ASP X 40 28.380 -3.000 -4.598 1.00 0.00 H new ATOM 0 HA ASP X 40 29.853 -0.849 -3.179 1.00 0.00 H new ATOM 0 HB2 ASP X 40 31.307 -2.496 -4.393 1.00 0.00 H new ATOM 0 HB3 ASP X 40 30.440 -2.149 -5.876 1.00 0.00 H new ATOM 613 N GLY X 41 28.329 0.789 -4.255 1.00 0.00 N ATOM 614 CA GLY X 41 27.526 1.814 -4.909 1.00 0.00 C ATOM 615 C GLY X 41 27.641 3.140 -4.181 1.00 0.00 C ATOM 616 O GLY X 41 28.687 3.469 -3.621 1.00 0.00 O ATOM 0 H GLY X 41 28.574 0.993 -3.286 1.00 0.00 H new ATOM 0 HA2 GLY X 41 27.852 1.933 -5.942 1.00 0.00 H new ATOM 0 HA3 GLY X 41 26.483 1.500 -4.938 1.00 0.00 H new ATOM 620 N GLU X 42 26.547 3.887 -4.174 1.00 0.00 N ATOM 621 CA GLU X 42 26.514 5.167 -3.491 1.00 0.00 C ATOM 622 C GLU X 42 25.810 4.999 -2.155 1.00 0.00 C ATOM 623 O GLU X 42 24.789 4.318 -2.061 1.00 0.00 O ATOM 624 CB GLU X 42 25.782 6.207 -4.342 1.00 0.00 C ATOM 625 CG GLU X 42 26.767 6.856 -5.317 1.00 0.00 C ATOM 626 CD GLU X 42 27.655 5.789 -5.950 1.00 0.00 C ATOM 627 OE1 GLU X 42 27.268 5.260 -6.979 1.00 0.00 O ATOM 628 OE2 GLU X 42 28.708 5.520 -5.399 1.00 0.00 O ATOM 0 H GLU X 42 25.674 3.628 -4.633 1.00 0.00 H new ATOM 0 HA GLU X 42 27.534 5.514 -3.327 1.00 0.00 H new ATOM 0 HB2 GLU X 42 24.968 5.734 -4.892 1.00 0.00 H new ATOM 0 HB3 GLU X 42 25.335 6.967 -3.701 1.00 0.00 H new ATOM 0 HG2 GLU X 42 26.222 7.394 -6.093 1.00 0.00 H new ATOM 0 HG3 GLU X 42 27.381 7.588 -4.793 1.00 0.00 H new ATOM 635 N TRP X 43 26.362 5.618 -1.125 1.00 0.00 N ATOM 636 CA TRP X 43 25.778 5.524 0.201 1.00 0.00 C ATOM 637 C TRP X 43 25.202 6.867 0.624 1.00 0.00 C ATOM 638 O TRP X 43 25.784 7.918 0.353 1.00 0.00 O ATOM 639 CB TRP X 43 26.836 5.088 1.218 1.00 0.00 C ATOM 640 CG TRP X 43 26.570 3.683 1.654 1.00 0.00 C ATOM 641 CD1 TRP X 43 27.400 2.638 1.447 1.00 0.00 C ATOM 642 CD2 TRP X 43 25.413 3.153 2.364 1.00 0.00 C ATOM 643 NE1 TRP X 43 26.828 1.499 1.985 1.00 0.00 N ATOM 644 CE2 TRP X 43 25.602 1.766 2.561 1.00 0.00 C ATOM 645 CE3 TRP X 43 24.230 3.738 2.850 1.00 0.00 C ATOM 646 CZ2 TRP X 43 24.651 0.984 3.218 1.00 0.00 C ATOM 647 CZ3 TRP X 43 23.271 2.955 3.511 1.00 0.00 C ATOM 648 CH2 TRP X 43 23.481 1.581 3.695 1.00 0.00 C ATOM 0 H TRP X 43 27.207 6.187 -1.181 1.00 0.00 H new ATOM 0 HA TRP X 43 24.979 4.783 0.168 1.00 0.00 H new ATOM 0 HB2 TRP X 43 27.830 5.159 0.776 1.00 0.00 H new ATOM 0 HB3 TRP X 43 26.822 5.755 2.080 1.00 0.00 H new ATOM 0 HD1 TRP X 43 28.354 2.684 0.944 1.00 0.00 H new ATOM 0 HE1 TRP X 43 27.259 0.575 1.959 1.00 0.00 H new ATOM 0 HE3 TRP X 43 24.059 4.796 2.714 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 24.818 -0.074 3.357 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 22.366 3.414 3.880 1.00 0.00 H new ATOM 0 HH2 TRP X 43 22.739 0.984 4.205 1.00 0.00 H new ATOM 659 N THR X 44 24.058 6.824 1.291 1.00 0.00 N ATOM 660 CA THR X 44 23.411 8.042 1.751 1.00 0.00 C ATOM 661 C THR X 44 22.936 7.879 3.189 1.00 0.00 C ATOM 662 O THR X 44 22.874 6.766 3.711 1.00 0.00 O ATOM 663 CB THR X 44 22.220 8.370 0.850 1.00 0.00 C ATOM 664 OG1 THR X 44 21.020 8.293 1.607 1.00 0.00 O ATOM 665 CG2 THR X 44 22.162 7.369 -0.306 1.00 0.00 C ATOM 0 H THR X 44 23.562 5.964 1.524 1.00 0.00 H new ATOM 0 HA THR X 44 24.132 8.858 1.708 1.00 0.00 H new ATOM 0 HB THR X 44 22.333 9.378 0.450 1.00 0.00 H new ATOM 0 HG1 THR X 44 20.256 8.505 1.031 1.00 0.00 H new ATOM 0 HG21 THR X 44 21.313 7.603 -0.948 1.00 0.00 H new ATOM 0 HG22 THR X 44 23.083 7.429 -0.886 1.00 0.00 H new ATOM 0 HG23 THR X 44 22.049 6.360 0.091 1.00 0.00 H new ATOM 673 N TYR X 45 22.596 8.997 3.823 1.00 0.00 N ATOM 674 CA TYR X 45 22.122 8.968 5.202 1.00 0.00 C ATOM 675 C TYR X 45 21.272 10.199 5.502 1.00 0.00 C ATOM 676 O TYR X 45 21.650 11.322 5.170 1.00 0.00 O ATOM 677 CB TYR X 45 23.307 8.920 6.167 1.00 0.00 C ATOM 678 CG TYR X 45 22.839 9.307 7.550 1.00 0.00 C ATOM 679 CD1 TYR X 45 21.679 8.731 8.083 1.00 0.00 C ATOM 680 CD2 TYR X 45 23.562 10.244 8.299 1.00 0.00 C ATOM 681 CE1 TYR X 45 21.242 9.091 9.363 1.00 0.00 C ATOM 682 CE2 TYR X 45 23.125 10.604 9.579 1.00 0.00 C ATOM 683 CZ TYR X 45 21.965 10.027 10.111 1.00 0.00 C ATOM 684 OH TYR X 45 21.534 10.383 11.374 1.00 0.00 O ATOM 0 H TYR X 45 22.639 9.928 3.408 1.00 0.00 H new ATOM 0 HA TYR X 45 21.512 8.074 5.334 1.00 0.00 H new ATOM 0 HB2 TYR X 45 23.738 7.919 6.183 1.00 0.00 H new ATOM 0 HB3 TYR X 45 24.091 9.599 5.832 1.00 0.00 H new ATOM 0 HD1 TYR X 45 21.121 8.008 7.506 1.00 0.00 H new ATOM 0 HD2 TYR X 45 24.457 10.689 7.889 1.00 0.00 H new ATOM 0 HE1 TYR X 45 20.347 8.647 9.773 1.00 0.00 H new ATOM 0 HE2 TYR X 45 23.682 11.327 10.156 1.00 0.00 H new ATOM 0 HH TYR X 45 22.150 11.043 11.756 1.00 0.00 H new ATOM 694 N ASP X 46 20.126 9.977 6.135 1.00 0.00 N ATOM 695 CA ASP X 46 19.229 11.073 6.480 1.00 0.00 C ATOM 696 C ASP X 46 19.000 11.124 7.986 1.00 0.00 C ATOM 697 O ASP X 46 18.528 10.159 8.585 1.00 0.00 O ATOM 698 CB ASP X 46 17.888 10.899 5.763 1.00 0.00 C ATOM 699 CG ASP X 46 18.119 10.390 4.344 1.00 0.00 C ATOM 700 OD1 ASP X 46 18.769 11.089 3.585 1.00 0.00 O ATOM 701 OD2 ASP X 46 17.646 9.309 4.039 1.00 0.00 O ATOM 0 H ASP X 46 19.797 9.054 6.418 1.00 0.00 H new ATOM 0 HA ASP X 46 19.691 12.008 6.162 1.00 0.00 H new ATOM 0 HB2 ASP X 46 17.261 10.197 6.313 1.00 0.00 H new ATOM 0 HB3 ASP X 46 17.355 11.849 5.735 1.00 0.00 H new ATOM 706 N ASP X 47 19.340 12.257 8.594 1.00 0.00 N ATOM 707 CA ASP X 47 19.168 12.423 10.033 1.00 0.00 C ATOM 708 C ASP X 47 17.705 12.692 10.367 1.00 0.00 C ATOM 709 O ASP X 47 17.219 12.315 11.433 1.00 0.00 O ATOM 710 CB ASP X 47 20.025 13.589 10.526 1.00 0.00 C ATOM 711 CG ASP X 47 19.877 14.780 9.584 1.00 0.00 C ATOM 712 OD1 ASP X 47 19.102 14.676 8.648 1.00 0.00 O ATOM 713 OD2 ASP X 47 20.541 15.777 9.813 1.00 0.00 O ATOM 0 H ASP X 47 19.733 13.068 8.117 1.00 0.00 H new ATOM 0 HA ASP X 47 19.481 11.504 10.528 1.00 0.00 H new ATOM 0 HB2 ASP X 47 19.723 13.872 11.534 1.00 0.00 H new ATOM 0 HB3 ASP X 47 21.070 13.285 10.580 1.00 0.00 H new ATOM 718 N ALA X 48 17.011 13.349 9.444 1.00 0.00 N ATOM 719 CA ALA X 48 15.603 13.670 9.642 1.00 0.00 C ATOM 720 C ALA X 48 14.729 12.453 9.361 1.00 0.00 C ATOM 721 O ALA X 48 13.685 12.269 9.984 1.00 0.00 O ATOM 722 CB ALA X 48 15.193 14.818 8.717 1.00 0.00 C ATOM 0 H ALA X 48 17.398 13.668 8.556 1.00 0.00 H new ATOM 0 HA ALA X 48 15.463 13.971 10.680 1.00 0.00 H new ATOM 0 HB1 ALA X 48 14.140 15.051 8.872 1.00 0.00 H new ATOM 0 HB2 ALA X 48 15.796 15.698 8.940 1.00 0.00 H new ATOM 0 HB3 ALA X 48 15.351 14.523 7.680 1.00 0.00 H new ATOM 728 N THR X 49 15.163 11.625 8.417 1.00 0.00 N ATOM 729 CA THR X 49 14.408 10.429 8.062 1.00 0.00 C ATOM 730 C THR X 49 15.032 9.190 8.689 1.00 0.00 C ATOM 731 O THR X 49 14.529 8.079 8.516 1.00 0.00 O ATOM 732 CB THR X 49 14.372 10.265 6.545 1.00 0.00 C ATOM 733 OG1 THR X 49 14.700 11.503 5.929 1.00 0.00 O ATOM 734 CG2 THR X 49 12.971 9.831 6.112 1.00 0.00 C ATOM 0 H THR X 49 16.025 11.758 7.888 1.00 0.00 H new ATOM 0 HA THR X 49 13.393 10.543 8.442 1.00 0.00 H new ATOM 0 HB THR X 49 15.094 9.507 6.242 1.00 0.00 H new ATOM 0 HG1 THR X 49 14.679 11.399 4.955 1.00 0.00 H new ATOM 0 HG21 THR X 49 12.945 9.714 5.029 1.00 0.00 H new ATOM 0 HG22 THR X 49 12.722 8.882 6.586 1.00 0.00 H new ATOM 0 HG23 THR X 49 12.246 10.588 6.413 1.00 0.00 H new ATOM 742 N LYS X 50 16.130 9.385 9.412 1.00 0.00 N ATOM 743 CA LYS X 50 16.811 8.269 10.058 1.00 0.00 C ATOM 744 C LYS X 50 16.718 7.016 9.197 1.00 0.00 C ATOM 745 O LYS X 50 16.459 5.923 9.700 1.00 0.00 O ATOM 746 CB LYS X 50 16.178 7.996 11.422 1.00 0.00 C ATOM 747 CG LYS X 50 14.673 8.264 11.346 1.00 0.00 C ATOM 748 CD LYS X 50 14.039 8.007 12.710 1.00 0.00 C ATOM 749 CE LYS X 50 12.561 8.399 12.669 1.00 0.00 C ATOM 750 NZ LYS X 50 12.414 9.822 13.090 1.00 0.00 N ATOM 0 H LYS X 50 16.564 10.296 9.564 1.00 0.00 H new ATOM 0 HA LYS X 50 17.861 8.532 10.187 1.00 0.00 H new ATOM 0 HB2 LYS X 50 16.360 6.963 11.720 1.00 0.00 H new ATOM 0 HB3 LYS X 50 16.634 8.632 12.181 1.00 0.00 H new ATOM 0 HG2 LYS X 50 14.492 9.294 11.037 1.00 0.00 H new ATOM 0 HG3 LYS X 50 14.216 7.621 10.594 1.00 0.00 H new ATOM 0 HD2 LYS X 50 14.140 6.955 12.977 1.00 0.00 H new ATOM 0 HD3 LYS X 50 14.557 8.582 13.478 1.00 0.00 H new ATOM 0 HE2 LYS X 50 12.165 8.263 11.662 1.00 0.00 H new ATOM 0 HE3 LYS X 50 11.983 7.752 13.329 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 11.410 10.090 13.063 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 12.777 9.937 14.058 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 12.953 10.433 12.443 1.00 0.00 H new ATOM 764 N THR X 51 16.925 7.182 7.898 1.00 0.00 N ATOM 765 CA THR X 51 16.856 6.058 6.976 1.00 0.00 C ATOM 766 C THR X 51 18.185 5.880 6.251 1.00 0.00 C ATOM 767 O THR X 51 18.800 6.854 5.815 1.00 0.00 O ATOM 768 CB THR X 51 15.740 6.296 5.956 1.00 0.00 C ATOM 769 OG1 THR X 51 14.496 6.404 6.635 1.00 0.00 O ATOM 770 CG2 THR X 51 15.685 5.127 4.971 1.00 0.00 C ATOM 0 H THR X 51 17.141 8.078 7.461 1.00 0.00 H new ATOM 0 HA THR X 51 16.644 5.152 7.544 1.00 0.00 H new ATOM 0 HB THR X 51 15.939 7.218 5.409 1.00 0.00 H new ATOM 0 HG1 THR X 51 14.486 7.225 7.170 1.00 0.00 H new ATOM 0 HG21 THR X 51 14.889 5.299 4.246 1.00 0.00 H new ATOM 0 HG22 THR X 51 16.639 5.045 4.450 1.00 0.00 H new ATOM 0 HG23 THR X 51 15.487 4.203 5.514 1.00 0.00 H new ATOM 778 N PHE X 52 18.622 4.632 6.124 1.00 0.00 N ATOM 779 CA PHE X 52 19.880 4.336 5.449 1.00 0.00 C ATOM 780 C PHE X 52 19.622 3.515 4.188 1.00 0.00 C ATOM 781 O PHE X 52 18.893 2.525 4.224 1.00 0.00 O ATOM 782 CB PHE X 52 20.797 3.549 6.389 1.00 0.00 C ATOM 783 CG PHE X 52 21.608 4.508 7.229 1.00 0.00 C ATOM 784 CD1 PHE X 52 21.067 5.036 8.407 1.00 0.00 C ATOM 785 CD2 PHE X 52 22.902 4.863 6.832 1.00 0.00 C ATOM 786 CE1 PHE X 52 21.820 5.921 9.188 1.00 0.00 C ATOM 787 CE2 PHE X 52 23.655 5.748 7.613 1.00 0.00 C ATOM 788 CZ PHE X 52 23.114 6.276 8.790 1.00 0.00 C ATOM 0 H PHE X 52 18.127 3.813 6.477 1.00 0.00 H new ATOM 0 HA PHE X 52 20.359 5.275 5.171 1.00 0.00 H new ATOM 0 HB2 PHE X 52 20.203 2.899 7.032 1.00 0.00 H new ATOM 0 HB3 PHE X 52 21.461 2.906 5.811 1.00 0.00 H new ATOM 0 HD1 PHE X 52 20.069 4.761 8.713 1.00 0.00 H new ATOM 0 HD2 PHE X 52 23.320 4.455 5.924 1.00 0.00 H new ATOM 0 HE1 PHE X 52 21.403 6.329 10.097 1.00 0.00 H new ATOM 0 HE2 PHE X 52 24.653 6.023 7.307 1.00 0.00 H new ATOM 0 HZ PHE X 52 23.695 6.958 9.392 1.00 0.00 H new ATOM 798 N THR X 53 20.214 3.937 3.076 1.00 0.00 N ATOM 799 CA THR X 53 20.031 3.236 1.809 1.00 0.00 C ATOM 800 C THR X 53 21.310 3.269 0.982 1.00 0.00 C ATOM 801 O THR X 53 22.131 4.174 1.130 1.00 0.00 O ATOM 802 CB THR X 53 18.906 3.901 1.014 1.00 0.00 C ATOM 803 OG1 THR X 53 17.651 3.503 1.546 1.00 0.00 O ATOM 804 CG2 THR X 53 18.997 3.481 -0.454 1.00 0.00 C ATOM 0 H THR X 53 20.821 4.755 3.025 1.00 0.00 H new ATOM 0 HA THR X 53 19.777 2.198 2.024 1.00 0.00 H new ATOM 0 HB THR X 53 19.003 4.984 1.086 1.00 0.00 H new ATOM 0 HG1 THR X 53 17.792 3.005 2.378 1.00 0.00 H new ATOM 0 HG21 THR X 53 18.195 3.956 -1.019 1.00 0.00 H new ATOM 0 HG22 THR X 53 19.960 3.790 -0.862 1.00 0.00 H new ATOM 0 HG23 THR X 53 18.902 2.398 -0.529 1.00 0.00 H new ATOM 812 N VAL X 54 21.469 2.288 0.099 1.00 0.00 N ATOM 813 CA VAL X 54 22.648 2.229 -0.758 1.00 0.00 C ATOM 814 C VAL X 54 22.235 1.959 -2.198 1.00 0.00 C ATOM 815 O VAL X 54 21.558 0.971 -2.486 1.00 0.00 O ATOM 816 CB VAL X 54 23.593 1.127 -0.278 1.00 0.00 C ATOM 817 CG1 VAL X 54 22.786 -0.127 0.059 1.00 0.00 C ATOM 818 CG2 VAL X 54 24.599 0.803 -1.384 1.00 0.00 C ATOM 0 H VAL X 54 20.802 1.529 -0.041 1.00 0.00 H new ATOM 0 HA VAL X 54 23.164 3.188 -0.708 1.00 0.00 H new ATOM 0 HB VAL X 54 24.125 1.466 0.611 1.00 0.00 H new ATOM 0 HG11 VAL X 54 23.460 -0.912 0.401 1.00 0.00 H new ATOM 0 HG12 VAL X 54 22.068 0.103 0.846 1.00 0.00 H new ATOM 0 HG13 VAL X 54 22.254 -0.467 -0.830 1.00 0.00 H new ATOM 0 HG21 VAL X 54 25.274 0.017 -1.044 1.00 0.00 H new ATOM 0 HG22 VAL X 54 24.066 0.464 -2.272 1.00 0.00 H new ATOM 0 HG23 VAL X 54 25.175 1.696 -1.625 1.00 0.00 H new ATOM 828 N THR X 55 22.647 2.837 -3.099 1.00 0.00 N ATOM 829 CA THR X 55 22.319 2.679 -4.503 1.00 0.00 C ATOM 830 C THR X 55 23.570 2.710 -5.357 1.00 0.00 C ATOM 831 O THR X 55 24.454 3.541 -5.147 1.00 0.00 O ATOM 832 CB THR X 55 21.365 3.789 -4.947 1.00 0.00 C ATOM 833 OG1 THR X 55 21.905 4.466 -6.075 1.00 0.00 O ATOM 834 CG2 THR X 55 21.141 4.773 -3.805 1.00 0.00 C ATOM 0 H THR X 55 23.206 3.662 -2.883 1.00 0.00 H new ATOM 0 HA THR X 55 21.834 1.711 -4.632 1.00 0.00 H new ATOM 0 HB THR X 55 20.408 3.346 -5.222 1.00 0.00 H new ATOM 0 HG1 THR X 55 21.290 5.175 -6.357 1.00 0.00 H new ATOM 0 HG21 THR X 55 20.460 5.560 -4.131 1.00 0.00 H new ATOM 0 HG22 THR X 55 20.708 4.249 -2.953 1.00 0.00 H new ATOM 0 HG23 THR X 55 22.094 5.215 -3.514 1.00 0.00 H new ATOM 842 N GLU X 56 23.647 1.811 -6.321 1.00 0.00 N ATOM 843 CA GLU X 56 24.804 1.765 -7.193 1.00 0.00 C ATOM 844 C GLU X 56 24.479 2.390 -8.545 1.00 0.00 C ATOM 845 O GLU X 56 25.317 2.315 -9.427 1.00 0.00 O ATOM 846 CB GLU X 56 25.259 0.317 -7.394 1.00 0.00 C ATOM 847 CG GLU X 56 24.477 -0.603 -6.455 1.00 0.00 C ATOM 848 CD GLU X 56 24.790 -2.061 -6.776 1.00 0.00 C ATOM 849 OE1 GLU X 56 25.315 -2.311 -7.848 1.00 0.00 O ATOM 850 OE2 GLU X 56 24.499 -2.906 -5.945 1.00 0.00 O ATOM 851 OXT GLU X 56 23.395 2.934 -8.678 1.00 0.00 O ATOM 0 H GLU X 56 22.931 1.111 -6.518 1.00 0.00 H new ATOM 0 HA GLU X 56 25.608 2.332 -6.724 1.00 0.00 H new ATOM 0 HB2 GLU X 56 25.100 0.016 -8.430 1.00 0.00 H new ATOM 0 HB3 GLU X 56 26.328 0.231 -7.197 1.00 0.00 H new ATOM 0 HG2 GLU X 56 24.737 -0.386 -5.419 1.00 0.00 H new ATOM 0 HG3 GLU X 56 23.408 -0.420 -6.560 1.00 0.00 H new TER 858 GLU X 56