USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 420 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : X 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 1 MET N :NH3+ 162:sc= -8.02! (180deg=-8.47!) USER MOD Single : X 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 3 TYR OH : rot 180:sc= 0 USER MOD Single : X 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 8 ASN : amide:sc= -0.314 K(o=-0.31,f=-5.3!) USER MOD Single : X 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 11 THR OG1 : rot 180:sc= 0 USER MOD Single : X 13 LYS NZ :NH3+ -160:sc= -0.674 (180deg=-1.53!) USER MOD Single : X 16 THR OG1 : rot 76:sc= 0.517 USER MOD Single : X 17 THR OG1 : rot 180:sc= 0 USER MOD Single : X 18 THR OG1 : rot 150:sc=-0.00986 USER MOD Single : X 25 THR OG1 : rot 102:sc= 0.566 USER MOD Single : X 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 31 LYS NZ :NH3+ -153:sc= -0.0936 (180deg=-0.564) USER MOD Single : X 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 33 TYR OH : rot 180:sc= 0 USER MOD Single : X 35 ASN : amide:sc= -2.06! K(o=-2.1!,f=-0.1) USER MOD Single : X 37 ASN : amide:sc= -0.0685 X(o=-0.069,f=-0.38) USER MOD Single : X 44 THR OG1 : rot 180:sc= -0.306 USER MOD Single : X 45 TYR OH : rot 180:sc= 0 USER MOD Single : X 49 THR OG1 : rot 15:sc= -4.56! USER MOD Single : X 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 51 THR OG1 : rot 21:sc= -0.0924 USER MOD Single : X 53 THR OG1 : rot 180:sc= 0 USER MOD Single : X 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 -14.678 7.531 16.261 1.00 0.00 N ATOM 2 CA MET X 1 -14.730 9.002 16.040 1.00 0.00 C ATOM 3 C MET X 1 -15.576 9.297 14.805 1.00 0.00 C ATOM 4 O MET X 1 -16.801 9.397 14.889 1.00 0.00 O ATOM 5 CB MET X 1 -13.309 9.533 15.841 1.00 0.00 C ATOM 6 CG MET X 1 -12.475 8.497 15.084 1.00 0.00 C ATOM 7 SD MET X 1 -11.236 9.343 14.072 1.00 0.00 S ATOM 8 CE MET X 1 -10.507 7.865 13.322 1.00 0.00 C ATOM 0 H1 MET X 1 -13.882 7.302 16.890 1.00 0.00 H new ATOM 0 H2 MET X 1 -15.567 7.214 16.698 1.00 0.00 H new ATOM 0 H3 MET X 1 -14.549 7.047 15.349 1.00 0.00 H new ATOM 0 HA MET X 1 -15.177 9.492 16.905 1.00 0.00 H new ATOM 0 HB2 MET X 1 -13.335 10.470 15.285 1.00 0.00 H new ATOM 0 HB3 MET X 1 -12.852 9.748 16.807 1.00 0.00 H new ATOM 0 HG2 MET X 1 -11.987 7.823 15.788 1.00 0.00 H new ATOM 0 HG3 MET X 1 -13.120 7.886 14.453 1.00 0.00 H new ATOM 0 HE1 MET X 1 -9.704 8.158 12.646 1.00 0.00 H new ATOM 0 HE2 MET X 1 -10.106 7.220 14.104 1.00 0.00 H new ATOM 0 HE3 MET X 1 -11.272 7.325 12.764 1.00 0.00 H new ATOM 20 N GLN X 2 -14.916 9.438 13.661 1.00 0.00 N ATOM 21 CA GLN X 2 -15.619 9.725 12.415 1.00 0.00 C ATOM 22 C GLN X 2 -15.243 8.712 11.336 1.00 0.00 C ATOM 23 O GLN X 2 -14.097 8.268 11.260 1.00 0.00 O ATOM 24 CB GLN X 2 -15.275 11.136 11.936 1.00 0.00 C ATOM 25 CG GLN X 2 -13.763 11.355 12.035 1.00 0.00 C ATOM 26 CD GLN X 2 -13.239 11.958 10.736 1.00 0.00 C ATOM 27 OE1 GLN X 2 -12.875 13.133 10.698 1.00 0.00 O ATOM 28 NE2 GLN X 2 -13.178 11.219 9.662 1.00 0.00 N ATOM 0 H GLN X 2 -13.903 9.359 13.570 1.00 0.00 H new ATOM 0 HA GLN X 2 -16.691 9.655 12.602 1.00 0.00 H new ATOM 0 HB2 GLN X 2 -15.606 11.273 10.907 1.00 0.00 H new ATOM 0 HB3 GLN X 2 -15.801 11.875 12.541 1.00 0.00 H new ATOM 0 HG2 GLN X 2 -13.537 12.017 12.871 1.00 0.00 H new ATOM 0 HG3 GLN X 2 -13.262 10.408 12.234 1.00 0.00 H new ATOM 0 HE21 GLN X 2 -13.480 10.245 9.695 1.00 0.00 H new ATOM 0 HE22 GLN X 2 -12.828 11.615 8.790 1.00 0.00 H new ATOM 37 N TYR X 3 -16.217 8.356 10.505 1.00 0.00 N ATOM 38 CA TYR X 3 -15.986 7.396 9.430 1.00 0.00 C ATOM 39 C TYR X 3 -16.801 7.773 8.197 1.00 0.00 C ATOM 40 O TYR X 3 -17.674 8.639 8.263 1.00 0.00 O ATOM 41 CB TYR X 3 -16.376 5.990 9.890 1.00 0.00 C ATOM 42 CG TYR X 3 -15.129 5.174 10.131 1.00 0.00 C ATOM 43 CD1 TYR X 3 -14.449 5.278 11.351 1.00 0.00 C ATOM 44 CD2 TYR X 3 -14.650 4.317 9.134 1.00 0.00 C ATOM 45 CE1 TYR X 3 -13.292 4.522 11.574 1.00 0.00 C ATOM 46 CE2 TYR X 3 -13.494 3.561 9.357 1.00 0.00 C ATOM 47 CZ TYR X 3 -12.814 3.664 10.577 1.00 0.00 C ATOM 48 OH TYR X 3 -11.674 2.919 10.797 1.00 0.00 O ATOM 0 H TYR X 3 -17.170 8.716 10.554 1.00 0.00 H new ATOM 0 HA TYR X 3 -14.927 7.412 9.174 1.00 0.00 H new ATOM 0 HB2 TYR X 3 -16.969 6.046 10.803 1.00 0.00 H new ATOM 0 HB3 TYR X 3 -16.998 5.509 9.135 1.00 0.00 H new ATOM 0 HD1 TYR X 3 -14.817 5.941 12.120 1.00 0.00 H new ATOM 0 HD2 TYR X 3 -15.173 4.239 8.192 1.00 0.00 H new ATOM 0 HE1 TYR X 3 -12.768 4.601 12.515 1.00 0.00 H new ATOM 0 HE2 TYR X 3 -13.126 2.898 8.588 1.00 0.00 H new ATOM 0 HH TYR X 3 -11.481 2.375 10.005 1.00 0.00 H new ATOM 58 N LYS X 4 -16.518 7.120 7.075 1.00 0.00 N ATOM 59 CA LYS X 4 -17.242 7.402 5.844 1.00 0.00 C ATOM 60 C LYS X 4 -17.809 6.117 5.262 1.00 0.00 C ATOM 61 O LYS X 4 -17.164 5.070 5.302 1.00 0.00 O ATOM 62 CB LYS X 4 -16.312 8.064 4.826 1.00 0.00 C ATOM 63 CG LYS X 4 -16.645 9.553 4.723 1.00 0.00 C ATOM 64 CD LYS X 4 -15.715 10.213 3.706 1.00 0.00 C ATOM 65 CE LYS X 4 -16.088 9.752 2.296 1.00 0.00 C ATOM 66 NZ LYS X 4 -15.523 10.702 1.296 1.00 0.00 N ATOM 0 H LYS X 4 -15.800 6.400 6.994 1.00 0.00 H new ATOM 0 HA LYS X 4 -18.063 8.082 6.071 1.00 0.00 H new ATOM 0 HB2 LYS X 4 -15.273 7.933 5.128 1.00 0.00 H new ATOM 0 HB3 LYS X 4 -16.423 7.587 3.852 1.00 0.00 H new ATOM 0 HG2 LYS X 4 -17.684 9.684 4.421 1.00 0.00 H new ATOM 0 HG3 LYS X 4 -16.534 10.030 5.697 1.00 0.00 H new ATOM 0 HD2 LYS X 4 -15.793 11.298 3.777 1.00 0.00 H new ATOM 0 HD3 LYS X 4 -14.679 9.953 3.923 1.00 0.00 H new ATOM 0 HE2 LYS X 4 -15.704 8.748 2.117 1.00 0.00 H new ATOM 0 HE3 LYS X 4 -17.172 9.702 2.193 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 -15.777 10.388 0.337 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 -15.910 11.653 1.463 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 -14.487 10.729 1.389 1.00 0.00 H new ATOM 80 N LEU X 5 -19.017 6.201 4.719 1.00 0.00 N ATOM 81 CA LEU X 5 -19.653 5.034 4.132 1.00 0.00 C ATOM 82 C LEU X 5 -20.165 5.362 2.741 1.00 0.00 C ATOM 83 O LEU X 5 -21.183 6.038 2.583 1.00 0.00 O ATOM 84 CB LEU X 5 -20.815 4.573 5.012 1.00 0.00 C ATOM 85 CG LEU X 5 -20.302 3.582 6.056 1.00 0.00 C ATOM 86 CD1 LEU X 5 -21.120 3.724 7.342 1.00 0.00 C ATOM 87 CD2 LEU X 5 -20.443 2.156 5.519 1.00 0.00 C ATOM 0 H LEU X 5 -19.570 7.057 4.674 1.00 0.00 H new ATOM 0 HA LEU X 5 -18.917 4.233 4.061 1.00 0.00 H new ATOM 0 HB2 LEU X 5 -21.275 5.430 5.504 1.00 0.00 H new ATOM 0 HB3 LEU X 5 -21.586 4.106 4.399 1.00 0.00 H new ATOM 0 HG LEU X 5 -19.253 3.790 6.267 1.00 0.00 H new ATOM 0 HD11 LEU X 5 -20.754 3.017 8.086 1.00 0.00 H new ATOM 0 HD12 LEU X 5 -21.021 4.739 7.726 1.00 0.00 H new ATOM 0 HD13 LEU X 5 -22.169 3.517 7.131 1.00 0.00 H new ATOM 0 HD21 LEU X 5 -20.077 1.449 6.264 1.00 0.00 H new ATOM 0 HD22 LEU X 5 -21.492 1.949 5.307 1.00 0.00 H new ATOM 0 HD23 LEU X 5 -19.860 2.053 4.604 1.00 0.00 H new ATOM 99 N ILE X 6 -19.456 4.878 1.736 1.00 0.00 N ATOM 100 CA ILE X 6 -19.845 5.122 0.359 1.00 0.00 C ATOM 101 C ILE X 6 -20.348 3.833 -0.270 1.00 0.00 C ATOM 102 O ILE X 6 -19.577 2.905 -0.503 1.00 0.00 O ATOM 103 CB ILE X 6 -18.654 5.654 -0.437 1.00 0.00 C ATOM 104 CG1 ILE X 6 -18.150 6.945 0.210 1.00 0.00 C ATOM 105 CG2 ILE X 6 -19.085 5.940 -1.876 1.00 0.00 C ATOM 106 CD1 ILE X 6 -16.889 7.421 -0.512 1.00 0.00 C ATOM 0 H ILE X 6 -18.612 4.316 1.847 1.00 0.00 H new ATOM 0 HA ILE X 6 -20.642 5.865 0.344 1.00 0.00 H new ATOM 0 HB ILE X 6 -17.857 4.910 -0.440 1.00 0.00 H new ATOM 0 HG12 ILE X 6 -18.921 7.714 0.161 1.00 0.00 H new ATOM 0 HG13 ILE X 6 -17.935 6.775 1.265 1.00 0.00 H new ATOM 0 HG21 ILE X 6 -18.234 6.319 -2.442 1.00 0.00 H new ATOM 0 HG22 ILE X 6 -19.447 5.021 -2.337 1.00 0.00 H new ATOM 0 HG23 ILE X 6 -19.882 6.684 -1.876 1.00 0.00 H new ATOM 0 HD11 ILE X 6 -16.531 8.341 -0.050 1.00 0.00 H new ATOM 0 HD12 ILE X 6 -16.117 6.655 -0.440 1.00 0.00 H new ATOM 0 HD13 ILE X 6 -17.119 7.607 -1.561 1.00 0.00 H new ATOM 118 N LEU X 7 -21.642 3.777 -0.545 1.00 0.00 N ATOM 119 CA LEU X 7 -22.212 2.589 -1.145 1.00 0.00 C ATOM 120 C LEU X 7 -22.220 2.735 -2.654 1.00 0.00 C ATOM 121 O LEU X 7 -23.023 3.482 -3.214 1.00 0.00 O ATOM 122 CB LEU X 7 -23.641 2.379 -0.637 1.00 0.00 C ATOM 123 CG LEU X 7 -23.974 3.456 0.395 1.00 0.00 C ATOM 124 CD1 LEU X 7 -25.402 3.255 0.906 1.00 0.00 C ATOM 125 CD2 LEU X 7 -22.993 3.360 1.567 1.00 0.00 C ATOM 0 H LEU X 7 -22.306 4.530 -0.364 1.00 0.00 H new ATOM 0 HA LEU X 7 -21.608 1.725 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU X 7 -24.345 2.425 -1.468 1.00 0.00 H new ATOM 0 HB3 LEU X 7 -23.739 1.389 -0.191 1.00 0.00 H new ATOM 0 HG LEU X 7 -23.892 4.439 -0.069 1.00 0.00 H new ATOM 0 HD11 LEU X 7 -25.637 4.024 1.642 1.00 0.00 H new ATOM 0 HD12 LEU X 7 -26.100 3.325 0.072 1.00 0.00 H new ATOM 0 HD13 LEU X 7 -25.488 2.272 1.369 1.00 0.00 H new ATOM 0 HD21 LEU X 7 -23.230 4.128 2.304 1.00 0.00 H new ATOM 0 HD22 LEU X 7 -23.074 2.376 2.029 1.00 0.00 H new ATOM 0 HD23 LEU X 7 -21.976 3.507 1.203 1.00 0.00 H new ATOM 137 N ASN X 8 -21.323 2.015 -3.309 1.00 0.00 N ATOM 138 CA ASN X 8 -21.244 2.075 -4.754 1.00 0.00 C ATOM 139 C ASN X 8 -22.201 1.062 -5.355 1.00 0.00 C ATOM 140 O ASN X 8 -22.028 -0.146 -5.198 1.00 0.00 O ATOM 141 CB ASN X 8 -19.816 1.784 -5.216 1.00 0.00 C ATOM 142 CG ASN X 8 -19.529 2.516 -6.523 1.00 0.00 C ATOM 143 OD1 ASN X 8 -20.131 3.553 -6.800 1.00 0.00 O ATOM 144 ND2 ASN X 8 -18.640 2.033 -7.346 1.00 0.00 N ATOM 0 H ASN X 8 -20.649 1.390 -2.867 1.00 0.00 H new ATOM 0 HA ASN X 8 -21.521 3.075 -5.087 1.00 0.00 H new ATOM 0 HB2 ASN X 8 -19.107 2.099 -4.451 1.00 0.00 H new ATOM 0 HB3 ASN X 8 -19.681 0.711 -5.354 1.00 0.00 H new ATOM 0 HD21 ASN X 8 -18.442 2.515 -8.223 1.00 0.00 H new ATOM 0 HD22 ASN X 8 -18.143 1.173 -7.113 1.00 0.00 H new ATOM 151 N GLY X 9 -23.212 1.566 -6.039 1.00 0.00 N ATOM 152 CA GLY X 9 -24.200 0.702 -6.663 1.00 0.00 C ATOM 153 C GLY X 9 -24.039 0.727 -8.172 1.00 0.00 C ATOM 154 O GLY X 9 -23.672 1.750 -8.749 1.00 0.00 O ATOM 0 H GLY X 9 -23.371 2.564 -6.177 1.00 0.00 H new ATOM 0 HA2 GLY X 9 -24.087 -0.318 -6.295 1.00 0.00 H new ATOM 0 HA3 GLY X 9 -25.204 1.029 -6.391 1.00 0.00 H new ATOM 158 N LYS X 10 -24.314 -0.401 -8.808 1.00 0.00 N ATOM 159 CA LYS X 10 -24.191 -0.487 -10.254 1.00 0.00 C ATOM 160 C LYS X 10 -24.525 0.860 -10.875 1.00 0.00 C ATOM 161 O LYS X 10 -23.670 1.512 -11.474 1.00 0.00 O ATOM 162 CB LYS X 10 -25.138 -1.555 -10.802 1.00 0.00 C ATOM 163 CG LYS X 10 -24.549 -2.145 -12.084 1.00 0.00 C ATOM 164 CD LYS X 10 -25.553 -3.111 -12.712 1.00 0.00 C ATOM 165 CE LYS X 10 -25.566 -2.913 -14.230 1.00 0.00 C ATOM 166 NZ LYS X 10 -26.368 -3.997 -14.866 1.00 0.00 N ATOM 0 H LYS X 10 -24.620 -1.260 -8.352 1.00 0.00 H new ATOM 0 HA LYS X 10 -23.167 -0.761 -10.507 1.00 0.00 H new ATOM 0 HB2 LYS X 10 -25.286 -2.341 -10.061 1.00 0.00 H new ATOM 0 HB3 LYS X 10 -26.117 -1.120 -11.005 1.00 0.00 H new ATOM 0 HG2 LYS X 10 -24.308 -1.347 -12.787 1.00 0.00 H new ATOM 0 HG3 LYS X 10 -23.618 -2.666 -11.862 1.00 0.00 H new ATOM 0 HD2 LYS X 10 -25.285 -4.140 -12.470 1.00 0.00 H new ATOM 0 HD3 LYS X 10 -26.548 -2.936 -12.303 1.00 0.00 H new ATOM 0 HE2 LYS X 10 -25.990 -1.940 -14.477 1.00 0.00 H new ATOM 0 HE3 LYS X 10 -24.547 -2.924 -14.618 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 -26.377 -3.863 -15.897 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 -25.945 -4.920 -14.641 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 -27.343 -3.966 -14.504 1.00 0.00 H new ATOM 180 N THR X 11 -25.776 1.272 -10.719 1.00 0.00 N ATOM 181 CA THR X 11 -26.222 2.547 -11.257 1.00 0.00 C ATOM 182 C THR X 11 -26.539 3.526 -10.130 1.00 0.00 C ATOM 183 O THR X 11 -27.093 4.597 -10.373 1.00 0.00 O ATOM 184 CB THR X 11 -27.466 2.344 -12.123 1.00 0.00 C ATOM 185 OG1 THR X 11 -27.400 1.072 -12.756 1.00 0.00 O ATOM 186 CG2 THR X 11 -27.530 3.441 -13.186 1.00 0.00 C ATOM 0 H THR X 11 -26.496 0.744 -10.226 1.00 0.00 H new ATOM 0 HA THR X 11 -25.419 2.961 -11.867 1.00 0.00 H new ATOM 0 HB THR X 11 -28.357 2.392 -11.497 1.00 0.00 H new ATOM 0 HG1 THR X 11 -28.198 0.940 -13.310 1.00 0.00 H new ATOM 0 HG21 THR X 11 -28.416 3.297 -13.804 1.00 0.00 H new ATOM 0 HG22 THR X 11 -27.580 4.416 -12.700 1.00 0.00 H new ATOM 0 HG23 THR X 11 -26.639 3.393 -13.812 1.00 0.00 H new ATOM 194 N LEU X 12 -26.205 3.153 -8.894 1.00 0.00 N ATOM 195 CA LEU X 12 -26.491 4.029 -7.758 1.00 0.00 C ATOM 196 C LEU X 12 -25.281 4.178 -6.836 1.00 0.00 C ATOM 197 O LEU X 12 -24.704 3.191 -6.389 1.00 0.00 O ATOM 198 CB LEU X 12 -27.671 3.470 -6.959 1.00 0.00 C ATOM 199 CG LEU X 12 -28.702 4.576 -6.720 1.00 0.00 C ATOM 200 CD1 LEU X 12 -28.011 5.799 -6.113 1.00 0.00 C ATOM 201 CD2 LEU X 12 -29.351 4.966 -8.051 1.00 0.00 C ATOM 0 H LEU X 12 -25.747 2.273 -8.657 1.00 0.00 H new ATOM 0 HA LEU X 12 -26.737 5.014 -8.154 1.00 0.00 H new ATOM 0 HB2 LEU X 12 -28.130 2.643 -7.500 1.00 0.00 H new ATOM 0 HB3 LEU X 12 -27.322 3.073 -6.006 1.00 0.00 H new ATOM 0 HG LEU X 12 -29.468 4.214 -6.034 1.00 0.00 H new ATOM 0 HD11 LEU X 12 -28.746 6.586 -5.943 1.00 0.00 H new ATOM 0 HD12 LEU X 12 -27.550 5.523 -5.165 1.00 0.00 H new ATOM 0 HD13 LEU X 12 -27.244 6.161 -6.798 1.00 0.00 H new ATOM 0 HD21 LEU X 12 -30.085 5.754 -7.881 1.00 0.00 H new ATOM 0 HD22 LEU X 12 -28.585 5.326 -8.738 1.00 0.00 H new ATOM 0 HD23 LEU X 12 -29.846 4.096 -8.483 1.00 0.00 H new ATOM 213 N LYS X 13 -24.920 5.425 -6.542 1.00 0.00 N ATOM 214 CA LYS X 13 -23.793 5.707 -5.655 1.00 0.00 C ATOM 215 C LYS X 13 -24.113 6.919 -4.784 1.00 0.00 C ATOM 216 O LYS X 13 -24.749 7.867 -5.243 1.00 0.00 O ATOM 217 CB LYS X 13 -22.523 5.983 -6.465 1.00 0.00 C ATOM 218 CG LYS X 13 -22.735 5.567 -7.921 1.00 0.00 C ATOM 219 CD LYS X 13 -21.513 5.977 -8.748 1.00 0.00 C ATOM 220 CE LYS X 13 -21.895 6.043 -10.227 1.00 0.00 C ATOM 221 NZ LYS X 13 -23.080 5.174 -10.475 1.00 0.00 N ATOM 0 H LYS X 13 -25.390 6.255 -6.904 1.00 0.00 H new ATOM 0 HA LYS X 13 -23.624 4.835 -5.024 1.00 0.00 H new ATOM 0 HB2 LYS X 13 -22.271 7.042 -6.413 1.00 0.00 H new ATOM 0 HB3 LYS X 13 -21.683 5.434 -6.039 1.00 0.00 H new ATOM 0 HG2 LYS X 13 -22.887 4.490 -7.985 1.00 0.00 H new ATOM 0 HG3 LYS X 13 -23.633 6.039 -8.319 1.00 0.00 H new ATOM 0 HD2 LYS X 13 -21.143 6.946 -8.414 1.00 0.00 H new ATOM 0 HD3 LYS X 13 -20.705 5.260 -8.602 1.00 0.00 H new ATOM 0 HE2 LYS X 13 -22.120 7.071 -10.510 1.00 0.00 H new ATOM 0 HE3 LYS X 13 -21.057 5.718 -10.844 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 -23.137 4.945 -11.488 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 -22.987 4.295 -9.927 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 -23.944 5.674 -10.184 1.00 0.00 H new ATOM 235 N GLY X 14 -23.678 6.889 -3.527 1.00 0.00 N ATOM 236 CA GLY X 14 -23.945 8.002 -2.624 1.00 0.00 C ATOM 237 C GLY X 14 -22.949 8.036 -1.472 1.00 0.00 C ATOM 238 O GLY X 14 -22.131 7.129 -1.315 1.00 0.00 O ATOM 0 H GLY X 14 -23.148 6.120 -3.117 1.00 0.00 H new ATOM 0 HA2 GLY X 14 -23.896 8.940 -3.177 1.00 0.00 H new ATOM 0 HA3 GLY X 14 -24.957 7.917 -2.229 1.00 0.00 H new ATOM 242 N GLU X 15 -23.027 9.091 -0.668 1.00 0.00 N ATOM 243 CA GLU X 15 -22.133 9.244 0.473 1.00 0.00 C ATOM 244 C GLU X 15 -22.937 9.417 1.757 1.00 0.00 C ATOM 245 O GLU X 15 -24.019 10.006 1.747 1.00 0.00 O ATOM 246 CB GLU X 15 -21.230 10.463 0.268 1.00 0.00 C ATOM 247 CG GLU X 15 -19.958 10.305 1.103 1.00 0.00 C ATOM 248 CD GLU X 15 -19.650 11.608 1.832 1.00 0.00 C ATOM 249 OE1 GLU X 15 -20.452 12.002 2.663 1.00 0.00 O ATOM 250 OE2 GLU X 15 -18.616 12.192 1.552 1.00 0.00 O ATOM 0 H GLU X 15 -23.698 9.850 -0.785 1.00 0.00 H new ATOM 0 HA GLU X 15 -21.519 8.347 0.556 1.00 0.00 H new ATOM 0 HB2 GLU X 15 -20.974 10.566 -0.787 1.00 0.00 H new ATOM 0 HB3 GLU X 15 -21.757 11.372 0.558 1.00 0.00 H new ATOM 0 HG2 GLU X 15 -20.083 9.496 1.823 1.00 0.00 H new ATOM 0 HG3 GLU X 15 -19.122 10.032 0.459 1.00 0.00 H new ATOM 257 N THR X 16 -22.407 8.903 2.860 1.00 0.00 N ATOM 258 CA THR X 16 -23.092 9.013 4.143 1.00 0.00 C ATOM 259 C THR X 16 -22.110 9.387 5.247 1.00 0.00 C ATOM 260 O THR X 16 -20.898 9.256 5.086 1.00 0.00 O ATOM 261 CB THR X 16 -23.773 7.685 4.489 1.00 0.00 C ATOM 262 OG1 THR X 16 -23.935 6.914 3.306 1.00 0.00 O ATOM 263 CG2 THR X 16 -25.142 7.961 5.111 1.00 0.00 C ATOM 0 H THR X 16 -21.514 8.411 2.893 1.00 0.00 H new ATOM 0 HA THR X 16 -23.845 9.797 4.064 1.00 0.00 H new ATOM 0 HB THR X 16 -23.157 7.134 5.200 1.00 0.00 H new ATOM 0 HG1 THR X 16 -23.073 6.524 3.049 1.00 0.00 H new ATOM 0 HG21 THR X 16 -25.627 7.016 5.357 1.00 0.00 H new ATOM 0 HG22 THR X 16 -25.017 8.552 6.018 1.00 0.00 H new ATOM 0 HG23 THR X 16 -25.760 8.512 4.402 1.00 0.00 H new ATOM 271 N THR X 17 -22.644 9.851 6.372 1.00 0.00 N ATOM 272 CA THR X 17 -21.807 10.238 7.500 1.00 0.00 C ATOM 273 C THR X 17 -22.213 9.464 8.748 1.00 0.00 C ATOM 274 O THR X 17 -23.400 9.289 9.025 1.00 0.00 O ATOM 275 CB THR X 17 -21.928 11.742 7.759 1.00 0.00 C ATOM 276 OG1 THR X 17 -22.548 12.364 6.643 1.00 0.00 O ATOM 277 CG2 THR X 17 -20.535 12.337 7.970 1.00 0.00 C ATOM 0 H THR X 17 -23.646 9.967 6.526 1.00 0.00 H new ATOM 0 HA THR X 17 -20.770 10.003 7.259 1.00 0.00 H new ATOM 0 HB THR X 17 -22.532 11.912 8.651 1.00 0.00 H new ATOM 0 HG1 THR X 17 -22.628 13.327 6.808 1.00 0.00 H new ATOM 0 HG21 THR X 17 -20.621 13.408 8.154 1.00 0.00 H new ATOM 0 HG22 THR X 17 -20.061 11.858 8.827 1.00 0.00 H new ATOM 0 HG23 THR X 17 -19.929 12.170 7.079 1.00 0.00 H new ATOM 285 N THR X 18 -21.218 8.991 9.489 1.00 0.00 N ATOM 286 CA THR X 18 -21.475 8.219 10.698 1.00 0.00 C ATOM 287 C THR X 18 -20.380 8.459 11.731 1.00 0.00 C ATOM 288 O THR X 18 -19.247 8.792 11.384 1.00 0.00 O ATOM 289 CB THR X 18 -21.541 6.728 10.362 1.00 0.00 C ATOM 290 OG1 THR X 18 -20.417 6.378 9.568 1.00 0.00 O ATOM 291 CG2 THR X 18 -22.826 6.430 9.589 1.00 0.00 C ATOM 0 H THR X 18 -20.230 9.128 9.275 1.00 0.00 H new ATOM 0 HA THR X 18 -22.429 8.541 11.114 1.00 0.00 H new ATOM 0 HB THR X 18 -21.535 6.146 11.284 1.00 0.00 H new ATOM 0 HG1 THR X 18 -20.174 5.444 9.739 1.00 0.00 H new ATOM 0 HG21 THR X 18 -22.869 5.367 9.351 1.00 0.00 H new ATOM 0 HG22 THR X 18 -23.688 6.701 10.198 1.00 0.00 H new ATOM 0 HG23 THR X 18 -22.838 7.009 8.666 1.00 0.00 H new ATOM 299 N GLU X 19 -20.725 8.283 13.002 1.00 0.00 N ATOM 300 CA GLU X 19 -19.762 8.479 14.077 1.00 0.00 C ATOM 301 C GLU X 19 -19.297 7.127 14.603 1.00 0.00 C ATOM 302 O GLU X 19 -20.094 6.200 14.750 1.00 0.00 O ATOM 303 CB GLU X 19 -20.401 9.285 15.210 1.00 0.00 C ATOM 304 CG GLU X 19 -21.836 9.651 14.824 1.00 0.00 C ATOM 305 CD GLU X 19 -22.715 8.405 14.841 1.00 0.00 C ATOM 306 OE1 GLU X 19 -22.841 7.806 15.897 1.00 0.00 O ATOM 307 OE2 GLU X 19 -23.249 8.067 13.798 1.00 0.00 O ATOM 0 H GLU X 19 -21.657 8.007 13.311 1.00 0.00 H new ATOM 0 HA GLU X 19 -18.903 9.029 13.691 1.00 0.00 H new ATOM 0 HB2 GLU X 19 -20.397 8.704 16.132 1.00 0.00 H new ATOM 0 HB3 GLU X 19 -19.822 10.189 15.400 1.00 0.00 H new ATOM 0 HG2 GLU X 19 -22.230 10.393 15.518 1.00 0.00 H new ATOM 0 HG3 GLU X 19 -21.851 10.103 13.832 1.00 0.00 H new ATOM 314 N ALA X 20 -17.998 7.010 14.858 1.00 0.00 N ATOM 315 CA ALA X 20 -17.438 5.751 15.337 1.00 0.00 C ATOM 316 C ALA X 20 -17.326 5.726 16.858 1.00 0.00 C ATOM 317 O ALA X 20 -17.383 6.763 17.520 1.00 0.00 O ATOM 318 CB ALA X 20 -16.060 5.520 14.713 1.00 0.00 C ATOM 0 H ALA X 20 -17.319 7.763 14.743 1.00 0.00 H new ATOM 0 HA ALA X 20 -18.116 4.952 15.037 1.00 0.00 H new ATOM 0 HB1 ALA X 20 -15.649 4.578 15.076 1.00 0.00 H new ATOM 0 HB2 ALA X 20 -16.154 5.480 13.628 1.00 0.00 H new ATOM 0 HB3 ALA X 20 -15.394 6.337 14.990 1.00 0.00 H new ATOM 324 N VAL X 21 -17.172 4.520 17.392 1.00 0.00 N ATOM 325 CA VAL X 21 -17.058 4.308 18.831 1.00 0.00 C ATOM 326 C VAL X 21 -17.546 2.900 19.155 1.00 0.00 C ATOM 327 O VAL X 21 -17.420 2.418 20.281 1.00 0.00 O ATOM 328 CB VAL X 21 -17.889 5.352 19.592 1.00 0.00 C ATOM 329 CG1 VAL X 21 -18.508 4.724 20.845 1.00 0.00 C ATOM 330 CG2 VAL X 21 -16.983 6.514 20.010 1.00 0.00 C ATOM 0 H VAL X 21 -17.123 3.663 16.841 1.00 0.00 H new ATOM 0 HA VAL X 21 -16.018 4.417 19.139 1.00 0.00 H new ATOM 0 HB VAL X 21 -18.685 5.714 18.941 1.00 0.00 H new ATOM 0 HG11 VAL X 21 -19.095 5.474 21.376 1.00 0.00 H new ATOM 0 HG12 VAL X 21 -19.155 3.896 20.555 1.00 0.00 H new ATOM 0 HG13 VAL X 21 -17.716 4.355 21.496 1.00 0.00 H new ATOM 0 HG21 VAL X 21 -17.570 7.257 20.550 1.00 0.00 H new ATOM 0 HG22 VAL X 21 -16.187 6.141 20.655 1.00 0.00 H new ATOM 0 HG23 VAL X 21 -16.546 6.972 19.123 1.00 0.00 H new ATOM 340 N ASP X 22 -18.101 2.252 18.137 1.00 0.00 N ATOM 341 CA ASP X 22 -18.616 0.896 18.268 1.00 0.00 C ATOM 342 C ASP X 22 -19.117 0.411 16.912 1.00 0.00 C ATOM 343 O ASP X 22 -20.155 -0.243 16.815 1.00 0.00 O ATOM 344 CB ASP X 22 -19.762 0.863 19.284 1.00 0.00 C ATOM 345 CG ASP X 22 -19.502 -0.216 20.329 1.00 0.00 C ATOM 346 OD1 ASP X 22 -19.324 -1.359 19.941 1.00 0.00 O ATOM 347 OD2 ASP X 22 -19.483 0.116 21.503 1.00 0.00 O ATOM 0 H ASP X 22 -18.206 2.650 17.204 1.00 0.00 H new ATOM 0 HA ASP X 22 -17.817 0.242 18.617 1.00 0.00 H new ATOM 0 HB2 ASP X 22 -19.857 1.835 19.769 1.00 0.00 H new ATOM 0 HB3 ASP X 22 -20.705 0.667 18.774 1.00 0.00 H new ATOM 352 N ALA X 23 -18.372 0.758 15.866 1.00 0.00 N ATOM 353 CA ALA X 23 -18.739 0.380 14.507 1.00 0.00 C ATOM 354 C ALA X 23 -18.990 -1.121 14.402 1.00 0.00 C ATOM 355 O ALA X 23 -19.727 -1.574 13.527 1.00 0.00 O ATOM 356 CB ALA X 23 -17.627 0.786 13.539 1.00 0.00 C ATOM 0 H ALA X 23 -17.511 1.300 15.935 1.00 0.00 H new ATOM 0 HA ALA X 23 -19.661 0.900 14.246 1.00 0.00 H new ATOM 0 HB1 ALA X 23 -17.906 0.501 12.524 1.00 0.00 H new ATOM 0 HB2 ALA X 23 -17.480 1.865 13.586 1.00 0.00 H new ATOM 0 HB3 ALA X 23 -16.701 0.281 13.816 1.00 0.00 H new ATOM 362 N ALA X 24 -18.378 -1.889 15.296 1.00 0.00 N ATOM 363 CA ALA X 24 -18.555 -3.335 15.282 1.00 0.00 C ATOM 364 C ALA X 24 -20.031 -3.687 15.448 1.00 0.00 C ATOM 365 O ALA X 24 -20.564 -4.531 14.729 1.00 0.00 O ATOM 366 CB ALA X 24 -17.748 -3.969 16.416 1.00 0.00 C ATOM 0 H ALA X 24 -17.763 -1.540 16.031 1.00 0.00 H new ATOM 0 HA ALA X 24 -18.202 -3.721 14.326 1.00 0.00 H new ATOM 0 HB1 ALA X 24 -17.885 -5.050 16.400 1.00 0.00 H new ATOM 0 HB2 ALA X 24 -16.691 -3.735 16.286 1.00 0.00 H new ATOM 0 HB3 ALA X 24 -18.092 -3.574 17.372 1.00 0.00 H new ATOM 372 N THR X 25 -20.682 -3.030 16.401 1.00 0.00 N ATOM 373 CA THR X 25 -22.097 -3.272 16.659 1.00 0.00 C ATOM 374 C THR X 25 -22.966 -2.603 15.594 1.00 0.00 C ATOM 375 O THR X 25 -23.914 -3.201 15.086 1.00 0.00 O ATOM 376 CB THR X 25 -22.473 -2.732 18.041 1.00 0.00 C ATOM 377 OG1 THR X 25 -21.451 -3.065 18.971 1.00 0.00 O ATOM 378 CG2 THR X 25 -23.796 -3.351 18.493 1.00 0.00 C ATOM 0 H THR X 25 -20.255 -2.328 17.006 1.00 0.00 H new ATOM 0 HA THR X 25 -22.272 -4.347 16.626 1.00 0.00 H new ATOM 0 HB THR X 25 -22.582 -1.649 17.990 1.00 0.00 H new ATOM 0 HG1 THR X 25 -20.888 -2.279 19.134 1.00 0.00 H new ATOM 0 HG21 THR X 25 -24.061 -2.965 19.477 1.00 0.00 H new ATOM 0 HG22 THR X 25 -24.580 -3.096 17.780 1.00 0.00 H new ATOM 0 HG23 THR X 25 -23.692 -4.435 18.545 1.00 0.00 H new ATOM 386 N ALA X 26 -22.638 -1.354 15.271 1.00 0.00 N ATOM 387 CA ALA X 26 -23.397 -0.599 14.277 1.00 0.00 C ATOM 388 C ALA X 26 -23.227 -1.196 12.881 1.00 0.00 C ATOM 389 O ALA X 26 -24.189 -1.295 12.119 1.00 0.00 O ATOM 390 CB ALA X 26 -22.926 0.856 14.265 1.00 0.00 C ATOM 0 H ALA X 26 -21.855 -0.845 15.681 1.00 0.00 H new ATOM 0 HA ALA X 26 -24.452 -0.648 14.548 1.00 0.00 H new ATOM 0 HB1 ALA X 26 -23.494 1.416 13.522 1.00 0.00 H new ATOM 0 HB2 ALA X 26 -23.082 1.297 15.250 1.00 0.00 H new ATOM 0 HB3 ALA X 26 -21.866 0.893 14.014 1.00 0.00 H new ATOM 396 N GLU X 27 -22.000 -1.576 12.548 1.00 0.00 N ATOM 397 CA GLU X 27 -21.716 -2.144 11.235 1.00 0.00 C ATOM 398 C GLU X 27 -22.518 -3.423 11.002 1.00 0.00 C ATOM 399 O GLU X 27 -22.924 -3.711 9.876 1.00 0.00 O ATOM 400 CB GLU X 27 -20.223 -2.446 11.109 1.00 0.00 C ATOM 401 CG GLU X 27 -19.955 -3.132 9.769 1.00 0.00 C ATOM 402 CD GLU X 27 -20.394 -2.227 8.623 1.00 0.00 C ATOM 403 OE1 GLU X 27 -19.624 -1.356 8.252 1.00 0.00 O ATOM 404 OE2 GLU X 27 -21.496 -2.418 8.133 1.00 0.00 O ATOM 0 H GLU X 27 -21.190 -1.502 13.164 1.00 0.00 H new ATOM 0 HA GLU X 27 -22.007 -1.413 10.481 1.00 0.00 H new ATOM 0 HB2 GLU X 27 -19.647 -1.523 11.179 1.00 0.00 H new ATOM 0 HB3 GLU X 27 -19.900 -3.087 11.929 1.00 0.00 H new ATOM 0 HG2 GLU X 27 -18.894 -3.363 9.675 1.00 0.00 H new ATOM 0 HG3 GLU X 27 -20.493 -4.079 9.722 1.00 0.00 H new ATOM 411 N LYS X 28 -22.743 -4.188 12.066 1.00 0.00 N ATOM 412 CA LYS X 28 -23.496 -5.433 11.951 1.00 0.00 C ATOM 413 C LYS X 28 -24.928 -5.151 11.501 1.00 0.00 C ATOM 414 O LYS X 28 -25.451 -5.812 10.603 1.00 0.00 O ATOM 415 CB LYS X 28 -23.516 -6.159 13.299 1.00 0.00 C ATOM 416 CG LYS X 28 -23.103 -7.620 13.103 1.00 0.00 C ATOM 417 CD LYS X 28 -23.612 -8.456 14.280 1.00 0.00 C ATOM 418 CE LYS X 28 -22.997 -9.855 14.214 1.00 0.00 C ATOM 419 NZ LYS X 28 -23.223 -10.563 15.507 1.00 0.00 N ATOM 0 H LYS X 28 -22.419 -3.971 13.008 1.00 0.00 H new ATOM 0 HA LYS X 28 -23.009 -6.064 11.207 1.00 0.00 H new ATOM 0 HB2 LYS X 28 -22.837 -5.669 13.997 1.00 0.00 H new ATOM 0 HB3 LYS X 28 -24.513 -6.108 13.736 1.00 0.00 H new ATOM 0 HG2 LYS X 28 -23.512 -8.002 12.168 1.00 0.00 H new ATOM 0 HG3 LYS X 28 -22.018 -7.696 13.031 1.00 0.00 H new ATOM 0 HD2 LYS X 28 -23.349 -7.975 15.222 1.00 0.00 H new ATOM 0 HD3 LYS X 28 -24.699 -8.523 14.249 1.00 0.00 H new ATOM 0 HE2 LYS X 28 -23.442 -10.421 13.396 1.00 0.00 H new ATOM 0 HE3 LYS X 28 -21.929 -9.784 14.008 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 -22.804 -11.514 15.460 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 -22.778 -10.026 16.279 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 -24.245 -10.643 15.685 1.00 0.00 H new ATOM 433 N VAL X 29 -25.552 -4.164 12.133 1.00 0.00 N ATOM 434 CA VAL X 29 -26.924 -3.789 11.800 1.00 0.00 C ATOM 435 C VAL X 29 -26.996 -3.152 10.414 1.00 0.00 C ATOM 436 O VAL X 29 -27.936 -3.396 9.657 1.00 0.00 O ATOM 437 CB VAL X 29 -27.463 -2.811 12.846 1.00 0.00 C ATOM 438 CG1 VAL X 29 -28.917 -3.157 13.171 1.00 0.00 C ATOM 439 CG2 VAL X 29 -26.620 -2.911 14.119 1.00 0.00 C ATOM 0 H VAL X 29 -25.132 -3.609 12.878 1.00 0.00 H new ATOM 0 HA VAL X 29 -27.534 -4.692 11.796 1.00 0.00 H new ATOM 0 HB VAL X 29 -27.411 -1.796 12.452 1.00 0.00 H new ATOM 0 HG11 VAL X 29 -29.299 -2.459 13.916 1.00 0.00 H new ATOM 0 HG12 VAL X 29 -29.519 -3.086 12.265 1.00 0.00 H new ATOM 0 HG13 VAL X 29 -28.970 -4.172 13.564 1.00 0.00 H new ATOM 0 HG21 VAL X 29 -27.003 -2.215 14.865 1.00 0.00 H new ATOM 0 HG22 VAL X 29 -26.672 -3.927 14.511 1.00 0.00 H new ATOM 0 HG23 VAL X 29 -25.584 -2.663 13.890 1.00 0.00 H new ATOM 449 N PHE X 30 -26.009 -2.320 10.096 1.00 0.00 N ATOM 450 CA PHE X 30 -25.976 -1.631 8.807 1.00 0.00 C ATOM 451 C PHE X 30 -25.909 -2.622 7.647 1.00 0.00 C ATOM 452 O PHE X 30 -26.481 -2.381 6.586 1.00 0.00 O ATOM 453 CB PHE X 30 -24.763 -0.700 8.753 1.00 0.00 C ATOM 454 CG PHE X 30 -24.851 0.181 7.530 1.00 0.00 C ATOM 455 CD1 PHE X 30 -25.713 1.285 7.521 1.00 0.00 C ATOM 456 CD2 PHE X 30 -24.066 -0.103 6.407 1.00 0.00 C ATOM 457 CE1 PHE X 30 -25.789 2.104 6.387 1.00 0.00 C ATOM 458 CE2 PHE X 30 -24.144 0.715 5.273 1.00 0.00 C ATOM 459 CZ PHE X 30 -25.005 1.818 5.264 1.00 0.00 C ATOM 0 H PHE X 30 -25.223 -2.106 10.710 1.00 0.00 H new ATOM 0 HA PHE X 30 -26.895 -1.053 8.709 1.00 0.00 H new ATOM 0 HB2 PHE X 30 -24.723 -0.086 9.653 1.00 0.00 H new ATOM 0 HB3 PHE X 30 -23.844 -1.286 8.726 1.00 0.00 H new ATOM 0 HD1 PHE X 30 -26.319 1.505 8.388 1.00 0.00 H new ATOM 0 HD2 PHE X 30 -23.400 -0.953 6.415 1.00 0.00 H new ATOM 0 HE1 PHE X 30 -26.453 2.956 6.380 1.00 0.00 H new ATOM 0 HE2 PHE X 30 -23.540 0.495 4.405 1.00 0.00 H new ATOM 0 HZ PHE X 30 -25.064 2.449 4.390 1.00 0.00 H new ATOM 469 N LYS X 31 -25.216 -3.737 7.853 1.00 0.00 N ATOM 470 CA LYS X 31 -25.096 -4.749 6.808 1.00 0.00 C ATOM 471 C LYS X 31 -26.479 -5.244 6.400 1.00 0.00 C ATOM 472 O LYS X 31 -26.810 -5.293 5.215 1.00 0.00 O ATOM 473 CB LYS X 31 -24.259 -5.926 7.314 1.00 0.00 C ATOM 474 CG LYS X 31 -23.236 -6.326 6.246 1.00 0.00 C ATOM 475 CD LYS X 31 -22.037 -5.374 6.292 1.00 0.00 C ATOM 476 CE LYS X 31 -20.805 -6.081 5.728 1.00 0.00 C ATOM 477 NZ LYS X 31 -20.354 -7.133 6.682 1.00 0.00 N ATOM 0 H LYS X 31 -24.734 -3.962 8.723 1.00 0.00 H new ATOM 0 HA LYS X 31 -24.605 -4.304 5.943 1.00 0.00 H new ATOM 0 HB2 LYS X 31 -23.748 -5.652 8.237 1.00 0.00 H new ATOM 0 HB3 LYS X 31 -24.906 -6.772 7.547 1.00 0.00 H new ATOM 0 HG2 LYS X 31 -22.905 -7.351 6.413 1.00 0.00 H new ATOM 0 HG3 LYS X 31 -23.697 -6.297 5.259 1.00 0.00 H new ATOM 0 HD2 LYS X 31 -22.250 -4.475 5.714 1.00 0.00 H new ATOM 0 HD3 LYS X 31 -21.850 -5.057 7.318 1.00 0.00 H new ATOM 0 HE2 LYS X 31 -21.040 -6.528 4.762 1.00 0.00 H new ATOM 0 HE3 LYS X 31 -20.005 -5.361 5.560 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 -19.333 -7.292 6.567 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 -20.549 -6.825 7.656 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 -20.866 -8.018 6.490 1.00 0.00 H new ATOM 491 N GLN X 32 -27.282 -5.601 7.394 1.00 0.00 N ATOM 492 CA GLN X 32 -28.633 -6.086 7.141 1.00 0.00 C ATOM 493 C GLN X 32 -29.521 -4.947 6.650 1.00 0.00 C ATOM 494 O GLN X 32 -30.417 -5.154 5.832 1.00 0.00 O ATOM 495 CB GLN X 32 -29.223 -6.682 8.423 1.00 0.00 C ATOM 496 CG GLN X 32 -29.488 -8.176 8.226 1.00 0.00 C ATOM 497 CD GLN X 32 -28.175 -8.949 8.279 1.00 0.00 C ATOM 498 OE1 GLN X 32 -27.681 -9.407 7.250 1.00 0.00 O ATOM 499 NE2 GLN X 32 -27.578 -9.122 9.426 1.00 0.00 N ATOM 0 H GLN X 32 -27.023 -5.564 8.380 1.00 0.00 H new ATOM 0 HA GLN X 32 -28.588 -6.857 6.372 1.00 0.00 H new ATOM 0 HB2 GLN X 32 -28.535 -6.532 9.255 1.00 0.00 H new ATOM 0 HB3 GLN X 32 -30.150 -6.170 8.680 1.00 0.00 H new ATOM 0 HG2 GLN X 32 -30.165 -8.539 8.999 1.00 0.00 H new ATOM 0 HG3 GLN X 32 -29.980 -8.343 7.268 1.00 0.00 H new ATOM 0 HE21 GLN X 32 -27.990 -8.741 10.278 1.00 0.00 H new ATOM 0 HE22 GLN X 32 -26.699 -9.638 9.471 1.00 0.00 H new ATOM 508 N TYR X 33 -29.265 -3.745 7.156 1.00 0.00 N ATOM 509 CA TYR X 33 -30.049 -2.583 6.761 1.00 0.00 C ATOM 510 C TYR X 33 -29.733 -2.184 5.324 1.00 0.00 C ATOM 511 O TYR X 33 -30.627 -1.812 4.565 1.00 0.00 O ATOM 512 CB TYR X 33 -29.759 -1.406 7.698 1.00 0.00 C ATOM 513 CG TYR X 33 -31.061 -0.805 8.171 1.00 0.00 C ATOM 514 CD1 TYR X 33 -31.783 0.047 7.328 1.00 0.00 C ATOM 515 CD2 TYR X 33 -31.545 -1.100 9.452 1.00 0.00 C ATOM 516 CE1 TYR X 33 -32.991 0.605 7.765 1.00 0.00 C ATOM 517 CE2 TYR X 33 -32.753 -0.542 9.888 1.00 0.00 C ATOM 518 CZ TYR X 33 -33.475 0.310 9.044 1.00 0.00 C ATOM 519 OH TYR X 33 -34.666 0.860 9.474 1.00 0.00 O ATOM 0 H TYR X 33 -28.528 -3.552 7.834 1.00 0.00 H new ATOM 0 HA TYR X 33 -31.105 -2.845 6.829 1.00 0.00 H new ATOM 0 HB2 TYR X 33 -29.171 -1.743 8.551 1.00 0.00 H new ATOM 0 HB3 TYR X 33 -29.166 -0.653 7.180 1.00 0.00 H new ATOM 0 HD1 TYR X 33 -31.409 0.274 6.341 1.00 0.00 H new ATOM 0 HD2 TYR X 33 -30.987 -1.757 10.103 1.00 0.00 H new ATOM 0 HE1 TYR X 33 -33.549 1.263 7.115 1.00 0.00 H new ATOM 0 HE2 TYR X 33 -33.128 -0.769 10.875 1.00 0.00 H new ATOM 0 HH TYR X 33 -34.858 0.553 10.384 1.00 0.00 H new ATOM 529 N ALA X 34 -28.460 -2.268 4.950 1.00 0.00 N ATOM 530 CA ALA X 34 -28.054 -1.915 3.596 1.00 0.00 C ATOM 531 C ALA X 34 -28.590 -2.940 2.607 1.00 0.00 C ATOM 532 O ALA X 34 -29.136 -2.584 1.562 1.00 0.00 O ATOM 533 CB ALA X 34 -26.529 -1.857 3.497 1.00 0.00 C ATOM 0 H ALA X 34 -27.700 -2.574 5.558 1.00 0.00 H new ATOM 0 HA ALA X 34 -28.463 -0.934 3.356 1.00 0.00 H new ATOM 0 HB1 ALA X 34 -26.240 -1.592 2.480 1.00 0.00 H new ATOM 0 HB2 ALA X 34 -26.148 -1.107 4.189 1.00 0.00 H new ATOM 0 HB3 ALA X 34 -26.111 -2.831 3.751 1.00 0.00 H new ATOM 539 N ASN X 35 -28.437 -4.216 2.945 1.00 0.00 N ATOM 540 CA ASN X 35 -28.919 -5.282 2.076 1.00 0.00 C ATOM 541 C ASN X 35 -30.439 -5.227 1.967 1.00 0.00 C ATOM 542 O ASN X 35 -31.000 -5.366 0.879 1.00 0.00 O ATOM 543 CB ASN X 35 -28.494 -6.644 2.628 1.00 0.00 C ATOM 544 CG ASN X 35 -28.855 -7.744 1.634 1.00 0.00 C ATOM 545 OD1 ASN X 35 -28.991 -8.906 2.014 1.00 0.00 O ATOM 546 ND2 ASN X 35 -29.022 -7.443 0.374 1.00 0.00 N ATOM 0 H ASN X 35 -27.989 -4.534 3.804 1.00 0.00 H new ATOM 0 HA ASN X 35 -28.485 -5.145 1.086 1.00 0.00 H new ATOM 0 HB2 ASN X 35 -27.420 -6.651 2.817 1.00 0.00 H new ATOM 0 HB3 ASN X 35 -28.987 -6.829 3.583 1.00 0.00 H new ATOM 0 HD21 ASN X 35 -29.266 -8.172 -0.297 1.00 0.00 H new ATOM 0 HD22 ASN X 35 -28.909 -6.479 0.061 1.00 0.00 H new ATOM 553 N ASP X 36 -31.101 -5.022 3.102 1.00 0.00 N ATOM 554 CA ASP X 36 -32.558 -4.950 3.129 1.00 0.00 C ATOM 555 C ASP X 36 -33.052 -3.718 2.377 1.00 0.00 C ATOM 556 O ASP X 36 -34.160 -3.711 1.841 1.00 0.00 O ATOM 557 CB ASP X 36 -33.053 -4.896 4.576 1.00 0.00 C ATOM 558 CG ASP X 36 -32.728 -6.205 5.287 1.00 0.00 C ATOM 559 OD1 ASP X 36 -32.643 -7.217 4.610 1.00 0.00 O ATOM 560 OD2 ASP X 36 -32.569 -6.177 6.496 1.00 0.00 O ATOM 0 H ASP X 36 -30.654 -4.903 4.011 1.00 0.00 H new ATOM 0 HA ASP X 36 -32.953 -5.841 2.641 1.00 0.00 H new ATOM 0 HB2 ASP X 36 -32.584 -4.062 5.099 1.00 0.00 H new ATOM 0 HB3 ASP X 36 -34.128 -4.720 4.595 1.00 0.00 H new ATOM 565 N ASN X 37 -32.227 -2.676 2.343 1.00 0.00 N ATOM 566 CA ASN X 37 -32.597 -1.444 1.654 1.00 0.00 C ATOM 567 C ASN X 37 -32.248 -1.535 0.172 1.00 0.00 C ATOM 568 O ASN X 37 -32.486 -0.598 -0.591 1.00 0.00 O ATOM 569 CB ASN X 37 -31.870 -0.252 2.277 1.00 0.00 C ATOM 570 CG ASN X 37 -32.652 1.031 2.012 1.00 0.00 C ATOM 571 OD1 ASN X 37 -33.853 1.091 2.270 1.00 0.00 O ATOM 572 ND2 ASN X 37 -32.037 2.066 1.510 1.00 0.00 N ATOM 0 H ASN X 37 -31.306 -2.659 2.780 1.00 0.00 H new ATOM 0 HA ASN X 37 -33.673 -1.304 1.757 1.00 0.00 H new ATOM 0 HB2 ASN X 37 -31.758 -0.404 3.350 1.00 0.00 H new ATOM 0 HB3 ASN X 37 -30.866 -0.169 1.860 1.00 0.00 H new ATOM 0 HD21 ASN X 37 -32.552 2.928 1.331 1.00 0.00 H new ATOM 0 HD22 ASN X 37 -31.041 2.014 1.297 1.00 0.00 H new ATOM 579 N GLY X 38 -31.690 -2.672 -0.228 1.00 0.00 N ATOM 580 CA GLY X 38 -31.319 -2.878 -1.622 1.00 0.00 C ATOM 581 C GLY X 38 -29.856 -2.519 -1.876 1.00 0.00 C ATOM 582 O GLY X 38 -29.420 -2.462 -3.025 1.00 0.00 O ATOM 0 H GLY X 38 -31.486 -3.459 0.388 1.00 0.00 H new ATOM 0 HA2 GLY X 38 -31.491 -3.919 -1.894 1.00 0.00 H new ATOM 0 HA3 GLY X 38 -31.959 -2.271 -2.262 1.00 0.00 H new ATOM 586 N VAL X 39 -29.097 -2.283 -0.808 1.00 0.00 N ATOM 587 CA VAL X 39 -27.688 -1.942 -0.964 1.00 0.00 C ATOM 588 C VAL X 39 -26.842 -3.211 -0.997 1.00 0.00 C ATOM 589 O VAL X 39 -26.675 -3.882 0.021 1.00 0.00 O ATOM 590 CB VAL X 39 -27.229 -1.050 0.191 1.00 0.00 C ATOM 591 CG1 VAL X 39 -25.844 -0.481 -0.121 1.00 0.00 C ATOM 592 CG2 VAL X 39 -28.222 0.101 0.374 1.00 0.00 C ATOM 0 H VAL X 39 -29.427 -2.321 0.156 1.00 0.00 H new ATOM 0 HA VAL X 39 -27.563 -1.403 -1.903 1.00 0.00 H new ATOM 0 HB VAL X 39 -27.182 -1.640 1.107 1.00 0.00 H new ATOM 0 HG11 VAL X 39 -25.518 0.154 0.702 1.00 0.00 H new ATOM 0 HG12 VAL X 39 -25.135 -1.299 -0.251 1.00 0.00 H new ATOM 0 HG13 VAL X 39 -25.890 0.108 -1.037 1.00 0.00 H new ATOM 0 HG21 VAL X 39 -27.895 0.736 1.197 1.00 0.00 H new ATOM 0 HG22 VAL X 39 -28.270 0.690 -0.542 1.00 0.00 H new ATOM 0 HG23 VAL X 39 -29.210 -0.303 0.598 1.00 0.00 H new ATOM 602 N ASP X 40 -26.313 -3.538 -2.173 1.00 0.00 N ATOM 603 CA ASP X 40 -25.492 -4.734 -2.319 1.00 0.00 C ATOM 604 C ASP X 40 -24.144 -4.397 -2.946 1.00 0.00 C ATOM 605 O ASP X 40 -23.986 -3.359 -3.590 1.00 0.00 O ATOM 606 CB ASP X 40 -26.218 -5.761 -3.188 1.00 0.00 C ATOM 607 CG ASP X 40 -27.663 -5.905 -2.724 1.00 0.00 C ATOM 608 OD1 ASP X 40 -28.453 -5.030 -3.036 1.00 0.00 O ATOM 609 OD2 ASP X 40 -27.957 -6.886 -2.061 1.00 0.00 O ATOM 0 H ASP X 40 -26.437 -2.998 -3.029 1.00 0.00 H new ATOM 0 HA ASP X 40 -25.319 -5.151 -1.327 1.00 0.00 H new ATOM 0 HB2 ASP X 40 -26.192 -5.450 -4.232 1.00 0.00 H new ATOM 0 HB3 ASP X 40 -25.710 -6.724 -3.129 1.00 0.00 H new ATOM 614 N GLY X 41 -23.179 -5.289 -2.758 1.00 0.00 N ATOM 615 CA GLY X 41 -21.848 -5.089 -3.314 1.00 0.00 C ATOM 616 C GLY X 41 -20.789 -5.760 -2.452 1.00 0.00 C ATOM 617 O GLY X 41 -21.050 -6.780 -1.814 1.00 0.00 O ATOM 0 H GLY X 41 -23.293 -6.153 -2.228 1.00 0.00 H new ATOM 0 HA2 GLY X 41 -21.808 -5.494 -4.325 1.00 0.00 H new ATOM 0 HA3 GLY X 41 -21.638 -4.022 -3.389 1.00 0.00 H new ATOM 621 N GLU X 42 -19.596 -5.182 -2.438 1.00 0.00 N ATOM 622 CA GLU X 42 -18.504 -5.737 -1.648 1.00 0.00 C ATOM 623 C GLU X 42 -18.072 -4.749 -0.571 1.00 0.00 C ATOM 624 O GLU X 42 -17.590 -3.658 -0.873 1.00 0.00 O ATOM 625 CB GLU X 42 -17.315 -6.062 -2.555 1.00 0.00 C ATOM 626 CG GLU X 42 -17.157 -7.580 -2.673 1.00 0.00 C ATOM 627 CD GLU X 42 -16.635 -8.154 -1.360 1.00 0.00 C ATOM 628 OE1 GLU X 42 -16.074 -7.396 -0.585 1.00 0.00 O ATOM 629 OE2 GLU X 42 -16.802 -9.344 -1.147 1.00 0.00 O ATOM 0 H GLU X 42 -19.360 -4.337 -2.959 1.00 0.00 H new ATOM 0 HA GLU X 42 -18.853 -6.652 -1.169 1.00 0.00 H new ATOM 0 HB2 GLU X 42 -17.467 -5.625 -3.542 1.00 0.00 H new ATOM 0 HB3 GLU X 42 -16.404 -5.622 -2.149 1.00 0.00 H new ATOM 0 HG2 GLU X 42 -18.115 -8.035 -2.923 1.00 0.00 H new ATOM 0 HG3 GLU X 42 -16.469 -7.820 -3.484 1.00 0.00 H new ATOM 636 N TRP X 43 -18.244 -5.142 0.685 1.00 0.00 N ATOM 637 CA TRP X 43 -17.863 -4.284 1.797 1.00 0.00 C ATOM 638 C TRP X 43 -16.675 -4.882 2.544 1.00 0.00 C ATOM 639 O TRP X 43 -16.527 -6.103 2.618 1.00 0.00 O ATOM 640 CB TRP X 43 -19.043 -4.116 2.759 1.00 0.00 C ATOM 641 CG TRP X 43 -20.268 -4.746 2.173 1.00 0.00 C ATOM 642 CD1 TRP X 43 -21.415 -4.089 1.884 1.00 0.00 C ATOM 643 CD2 TRP X 43 -20.490 -6.139 1.809 1.00 0.00 C ATOM 644 NE1 TRP X 43 -22.326 -4.990 1.362 1.00 0.00 N ATOM 645 CE2 TRP X 43 -21.803 -6.265 1.295 1.00 0.00 C ATOM 646 CE3 TRP X 43 -19.690 -7.293 1.872 1.00 0.00 C ATOM 647 CZ2 TRP X 43 -22.303 -7.494 0.860 1.00 0.00 C ATOM 648 CZ3 TRP X 43 -20.189 -8.531 1.434 1.00 0.00 C ATOM 649 CH2 TRP X 43 -21.494 -8.630 0.930 1.00 0.00 C ATOM 0 H TRP X 43 -18.641 -6.041 0.957 1.00 0.00 H new ATOM 0 HA TRP X 43 -17.580 -3.309 1.401 1.00 0.00 H new ATOM 0 HB2 TRP X 43 -18.810 -4.576 3.719 1.00 0.00 H new ATOM 0 HB3 TRP X 43 -19.222 -3.058 2.948 1.00 0.00 H new ATOM 0 HD1 TRP X 43 -21.591 -3.034 2.036 1.00 0.00 H new ATOM 0 HE1 TRP X 43 -23.269 -4.742 1.063 1.00 0.00 H new ATOM 0 HE3 TRP X 43 -18.684 -7.227 2.260 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 -23.308 -7.565 0.472 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 -19.565 -9.411 1.486 1.00 0.00 H new ATOM 0 HH2 TRP X 43 -21.873 -9.585 0.596 1.00 0.00 H new ATOM 660 N THR X 44 -15.834 -4.017 3.099 1.00 0.00 N ATOM 661 CA THR X 44 -14.665 -4.473 3.842 1.00 0.00 C ATOM 662 C THR X 44 -14.202 -3.399 4.819 1.00 0.00 C ATOM 663 O THR X 44 -14.659 -2.258 4.765 1.00 0.00 O ATOM 664 CB THR X 44 -13.528 -4.815 2.874 1.00 0.00 C ATOM 665 OG1 THR X 44 -12.419 -5.316 3.608 1.00 0.00 O ATOM 666 CG2 THR X 44 -13.108 -3.560 2.108 1.00 0.00 C ATOM 0 H THR X 44 -15.938 -3.004 3.050 1.00 0.00 H new ATOM 0 HA THR X 44 -14.940 -5.366 4.404 1.00 0.00 H new ATOM 0 HB THR X 44 -13.870 -5.571 2.167 1.00 0.00 H new ATOM 0 HG1 THR X 44 -11.691 -5.537 2.990 1.00 0.00 H new ATOM 0 HG21 THR X 44 -12.299 -3.807 1.420 1.00 0.00 H new ATOM 0 HG22 THR X 44 -13.958 -3.176 1.545 1.00 0.00 H new ATOM 0 HG23 THR X 44 -12.767 -2.801 2.812 1.00 0.00 H new ATOM 674 N TYR X 45 -13.286 -3.769 5.708 1.00 0.00 N ATOM 675 CA TYR X 45 -12.762 -2.824 6.687 1.00 0.00 C ATOM 676 C TYR X 45 -11.515 -2.138 6.140 1.00 0.00 C ATOM 677 O TYR X 45 -10.431 -2.721 6.132 1.00 0.00 O ATOM 678 CB TYR X 45 -12.411 -3.558 7.985 1.00 0.00 C ATOM 679 CG TYR X 45 -13.615 -3.591 8.896 1.00 0.00 C ATOM 680 CD1 TYR X 45 -14.645 -4.512 8.666 1.00 0.00 C ATOM 681 CD2 TYR X 45 -13.699 -2.702 9.974 1.00 0.00 C ATOM 682 CE1 TYR X 45 -15.758 -4.543 9.516 1.00 0.00 C ATOM 683 CE2 TYR X 45 -14.811 -2.733 10.823 1.00 0.00 C ATOM 684 CZ TYR X 45 -15.840 -3.653 10.594 1.00 0.00 C ATOM 685 OH TYR X 45 -16.936 -3.683 11.433 1.00 0.00 O ATOM 0 H TYR X 45 -12.894 -4.709 5.771 1.00 0.00 H new ATOM 0 HA TYR X 45 -13.525 -2.072 6.890 1.00 0.00 H new ATOM 0 HB2 TYR X 45 -12.084 -4.574 7.762 1.00 0.00 H new ATOM 0 HB3 TYR X 45 -11.580 -3.058 8.483 1.00 0.00 H new ATOM 0 HD1 TYR X 45 -14.581 -5.198 7.834 1.00 0.00 H new ATOM 0 HD2 TYR X 45 -12.905 -1.992 10.151 1.00 0.00 H new ATOM 0 HE1 TYR X 45 -16.553 -5.253 9.340 1.00 0.00 H new ATOM 0 HE2 TYR X 45 -14.875 -2.047 11.655 1.00 0.00 H new ATOM 0 HH TYR X 45 -16.834 -3.001 12.129 1.00 0.00 H new ATOM 695 N ASP X 46 -11.672 -0.901 5.678 1.00 0.00 N ATOM 696 CA ASP X 46 -10.540 -0.164 5.129 1.00 0.00 C ATOM 697 C ASP X 46 -10.057 0.894 6.113 1.00 0.00 C ATOM 698 O ASP X 46 -10.789 1.823 6.453 1.00 0.00 O ATOM 699 CB ASP X 46 -10.937 0.504 3.811 1.00 0.00 C ATOM 700 CG ASP X 46 -9.960 1.626 3.477 1.00 0.00 C ATOM 701 OD1 ASP X 46 -10.010 2.647 4.144 1.00 0.00 O ATOM 702 OD2 ASP X 46 -9.176 1.449 2.559 1.00 0.00 O ATOM 0 H ASP X 46 -12.557 -0.395 5.672 1.00 0.00 H new ATOM 0 HA ASP X 46 -9.729 -0.870 4.947 1.00 0.00 H new ATOM 0 HB2 ASP X 46 -10.944 -0.233 3.008 1.00 0.00 H new ATOM 0 HB3 ASP X 46 -11.949 0.903 3.887 1.00 0.00 H new ATOM 707 N ASP X 47 -8.818 0.743 6.568 1.00 0.00 N ATOM 708 CA ASP X 47 -8.243 1.689 7.512 1.00 0.00 C ATOM 709 C ASP X 47 -7.315 2.663 6.795 1.00 0.00 C ATOM 710 O ASP X 47 -7.106 3.787 7.251 1.00 0.00 O ATOM 711 CB ASP X 47 -7.465 0.940 8.596 1.00 0.00 C ATOM 712 CG ASP X 47 -6.127 0.465 8.043 1.00 0.00 C ATOM 713 OD1 ASP X 47 -6.139 -0.365 7.149 1.00 0.00 O ATOM 714 OD2 ASP X 47 -5.108 0.938 8.521 1.00 0.00 O ATOM 0 H ASP X 47 -8.197 -0.021 6.300 1.00 0.00 H new ATOM 0 HA ASP X 47 -9.054 2.252 7.974 1.00 0.00 H new ATOM 0 HB2 ASP X 47 -7.302 1.592 9.454 1.00 0.00 H new ATOM 0 HB3 ASP X 47 -8.045 0.087 8.948 1.00 0.00 H new ATOM 719 N ALA X 48 -6.759 2.228 5.667 1.00 0.00 N ATOM 720 CA ALA X 48 -5.857 3.079 4.899 1.00 0.00 C ATOM 721 C ALA X 48 -6.542 4.394 4.543 1.00 0.00 C ATOM 722 O ALA X 48 -5.912 5.452 4.540 1.00 0.00 O ATOM 723 CB ALA X 48 -5.429 2.363 3.619 1.00 0.00 C ATOM 0 H ALA X 48 -6.915 1.302 5.269 1.00 0.00 H new ATOM 0 HA ALA X 48 -4.978 3.291 5.507 1.00 0.00 H new ATOM 0 HB1 ALA X 48 -4.756 3.005 3.051 1.00 0.00 H new ATOM 0 HB2 ALA X 48 -4.917 1.436 3.875 1.00 0.00 H new ATOM 0 HB3 ALA X 48 -6.309 2.137 3.017 1.00 0.00 H new ATOM 729 N THR X 49 -7.836 4.318 4.252 1.00 0.00 N ATOM 730 CA THR X 49 -8.602 5.509 3.905 1.00 0.00 C ATOM 731 C THR X 49 -9.692 5.752 4.943 1.00 0.00 C ATOM 732 O THR X 49 -10.454 6.714 4.845 1.00 0.00 O ATOM 733 CB THR X 49 -9.236 5.343 2.522 1.00 0.00 C ATOM 734 OG1 THR X 49 -10.047 4.176 2.510 1.00 0.00 O ATOM 735 CG2 THR X 49 -8.138 5.215 1.466 1.00 0.00 C ATOM 0 H THR X 49 -8.373 3.451 4.249 1.00 0.00 H new ATOM 0 HA THR X 49 -7.927 6.365 3.888 1.00 0.00 H new ATOM 0 HB THR X 49 -9.851 6.215 2.298 1.00 0.00 H new ATOM 0 HG1 THR X 49 -10.214 3.884 3.431 1.00 0.00 H new ATOM 0 HG21 THR X 49 -8.592 5.097 0.482 1.00 0.00 H new ATOM 0 HG22 THR X 49 -7.518 6.112 1.475 1.00 0.00 H new ATOM 0 HG23 THR X 49 -7.520 4.345 1.687 1.00 0.00 H new ATOM 743 N LYS X 50 -9.757 4.870 5.936 1.00 0.00 N ATOM 744 CA LYS X 50 -10.754 4.991 6.994 1.00 0.00 C ATOM 745 C LYS X 50 -12.132 5.258 6.401 1.00 0.00 C ATOM 746 O LYS X 50 -12.846 6.160 6.841 1.00 0.00 O ATOM 747 CB LYS X 50 -10.374 6.128 7.942 1.00 0.00 C ATOM 748 CG LYS X 50 -8.899 5.997 8.324 1.00 0.00 C ATOM 749 CD LYS X 50 -8.574 6.968 9.459 1.00 0.00 C ATOM 750 CE LYS X 50 -7.190 6.644 10.026 1.00 0.00 C ATOM 751 NZ LYS X 50 -6.166 7.490 9.352 1.00 0.00 N ATOM 0 H LYS X 50 -9.134 4.068 6.030 1.00 0.00 H new ATOM 0 HA LYS X 50 -10.785 4.053 7.548 1.00 0.00 H new ATOM 0 HB2 LYS X 50 -10.553 7.091 7.464 1.00 0.00 H new ATOM 0 HB3 LYS X 50 -10.997 6.095 8.836 1.00 0.00 H new ATOM 0 HG2 LYS X 50 -8.683 4.975 8.634 1.00 0.00 H new ATOM 0 HG3 LYS X 50 -8.269 6.208 7.460 1.00 0.00 H new ATOM 0 HD2 LYS X 50 -8.597 7.994 9.092 1.00 0.00 H new ATOM 0 HD3 LYS X 50 -9.327 6.893 10.243 1.00 0.00 H new ATOM 0 HE2 LYS X 50 -7.175 6.823 11.101 1.00 0.00 H new ATOM 0 HE3 LYS X 50 -6.962 5.589 9.876 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 -5.225 7.270 9.737 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 -6.175 7.298 8.330 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 -6.382 8.494 9.517 1.00 0.00 H new ATOM 765 N THR X 51 -12.499 4.470 5.397 1.00 0.00 N ATOM 766 CA THR X 51 -13.793 4.628 4.746 1.00 0.00 C ATOM 767 C THR X 51 -14.311 3.280 4.257 1.00 0.00 C ATOM 768 O THR X 51 -13.532 2.384 3.946 1.00 0.00 O ATOM 769 CB THR X 51 -13.668 5.585 3.559 1.00 0.00 C ATOM 770 OG1 THR X 51 -14.953 5.807 2.996 1.00 0.00 O ATOM 771 CG2 THR X 51 -12.744 4.974 2.505 1.00 0.00 C ATOM 0 H THR X 51 -11.922 3.719 5.018 1.00 0.00 H new ATOM 0 HA THR X 51 -14.496 5.038 5.471 1.00 0.00 H new ATOM 0 HB THR X 51 -13.251 6.534 3.897 1.00 0.00 H new ATOM 0 HG1 THR X 51 -15.642 5.594 3.660 1.00 0.00 H new ATOM 0 HG21 THR X 51 -12.655 5.656 1.659 1.00 0.00 H new ATOM 0 HG22 THR X 51 -11.759 4.804 2.939 1.00 0.00 H new ATOM 0 HG23 THR X 51 -13.158 4.025 2.164 1.00 0.00 H new ATOM 779 N PHE X 52 -15.629 3.146 4.192 1.00 0.00 N ATOM 780 CA PHE X 52 -16.235 1.897 3.740 1.00 0.00 C ATOM 781 C PHE X 52 -16.784 2.054 2.325 1.00 0.00 C ATOM 782 O PHE X 52 -17.394 3.071 1.995 1.00 0.00 O ATOM 783 CB PHE X 52 -17.374 1.502 4.683 1.00 0.00 C ATOM 784 CG PHE X 52 -16.829 0.666 5.814 1.00 0.00 C ATOM 785 CD1 PHE X 52 -16.186 1.280 6.894 1.00 0.00 C ATOM 786 CD2 PHE X 52 -16.970 -0.726 5.784 1.00 0.00 C ATOM 787 CE1 PHE X 52 -15.684 0.503 7.945 1.00 0.00 C ATOM 788 CE2 PHE X 52 -16.468 -1.505 6.834 1.00 0.00 C ATOM 789 CZ PHE X 52 -15.824 -0.890 7.915 1.00 0.00 C ATOM 0 H PHE X 52 -16.294 3.877 4.443 1.00 0.00 H new ATOM 0 HA PHE X 52 -15.471 1.120 3.742 1.00 0.00 H new ATOM 0 HB2 PHE X 52 -17.858 2.395 5.078 1.00 0.00 H new ATOM 0 HB3 PHE X 52 -18.134 0.942 4.137 1.00 0.00 H new ATOM 0 HD1 PHE X 52 -16.077 2.354 6.917 1.00 0.00 H new ATOM 0 HD2 PHE X 52 -17.466 -1.200 4.950 1.00 0.00 H new ATOM 0 HE1 PHE X 52 -15.189 0.978 8.779 1.00 0.00 H new ATOM 0 HE2 PHE X 52 -16.577 -2.579 6.810 1.00 0.00 H new ATOM 0 HZ PHE X 52 -15.436 -1.490 8.725 1.00 0.00 H new ATOM 799 N THR X 53 -16.551 1.045 1.488 1.00 0.00 N ATOM 800 CA THR X 53 -17.018 1.092 0.106 1.00 0.00 C ATOM 801 C THR X 53 -17.764 -0.186 -0.268 1.00 0.00 C ATOM 802 O THR X 53 -17.345 -1.289 0.085 1.00 0.00 O ATOM 803 CB THR X 53 -15.828 1.278 -0.838 1.00 0.00 C ATOM 804 OG1 THR X 53 -15.042 2.378 -0.396 1.00 0.00 O ATOM 805 CG2 THR X 53 -16.334 1.547 -2.255 1.00 0.00 C ATOM 0 H THR X 53 -16.047 0.194 1.739 1.00 0.00 H new ATOM 0 HA THR X 53 -17.703 1.934 0.010 1.00 0.00 H new ATOM 0 HB THR X 53 -15.220 0.373 -0.839 1.00 0.00 H new ATOM 0 HG1 THR X 53 -14.278 2.497 -0.999 1.00 0.00 H new ATOM 0 HG21 THR X 53 -15.485 1.679 -2.926 1.00 0.00 H new ATOM 0 HG22 THR X 53 -16.935 0.703 -2.593 1.00 0.00 H new ATOM 0 HG23 THR X 53 -16.943 2.451 -2.258 1.00 0.00 H new ATOM 813 N VAL X 54 -18.867 -0.029 -0.996 1.00 0.00 N ATOM 814 CA VAL X 54 -19.659 -1.177 -1.425 1.00 0.00 C ATOM 815 C VAL X 54 -19.898 -1.125 -2.932 1.00 0.00 C ATOM 816 O VAL X 54 -20.415 -0.139 -3.456 1.00 0.00 O ATOM 817 CB VAL X 54 -21.003 -1.193 -0.695 1.00 0.00 C ATOM 818 CG1 VAL X 54 -21.658 -2.567 -0.856 1.00 0.00 C ATOM 819 CG2 VAL X 54 -20.780 -0.905 0.792 1.00 0.00 C ATOM 0 H VAL X 54 -19.230 0.875 -1.299 1.00 0.00 H new ATOM 0 HA VAL X 54 -19.107 -2.085 -1.183 1.00 0.00 H new ATOM 0 HB VAL X 54 -21.655 -0.429 -1.120 1.00 0.00 H new ATOM 0 HG11 VAL X 54 -22.616 -2.577 -0.335 1.00 0.00 H new ATOM 0 HG12 VAL X 54 -21.818 -2.772 -1.914 1.00 0.00 H new ATOM 0 HG13 VAL X 54 -21.007 -3.332 -0.433 1.00 0.00 H new ATOM 0 HG21 VAL X 54 -21.738 -0.916 1.312 1.00 0.00 H new ATOM 0 HG22 VAL X 54 -20.127 -1.668 1.216 1.00 0.00 H new ATOM 0 HG23 VAL X 54 -20.316 0.075 0.907 1.00 0.00 H new ATOM 829 N THR X 55 -19.515 -2.195 -3.623 1.00 0.00 N ATOM 830 CA THR X 55 -19.687 -2.264 -5.071 1.00 0.00 C ATOM 831 C THR X 55 -20.479 -3.508 -5.466 1.00 0.00 C ATOM 832 O THR X 55 -20.033 -4.633 -5.239 1.00 0.00 O ATOM 833 CB THR X 55 -18.318 -2.288 -5.755 1.00 0.00 C ATOM 834 OG1 THR X 55 -17.518 -1.230 -5.245 1.00 0.00 O ATOM 835 CG2 THR X 55 -18.495 -2.115 -7.265 1.00 0.00 C ATOM 0 H THR X 55 -19.086 -3.022 -3.207 1.00 0.00 H new ATOM 0 HA THR X 55 -20.242 -1.383 -5.393 1.00 0.00 H new ATOM 0 HB THR X 55 -17.829 -3.242 -5.557 1.00 0.00 H new ATOM 0 HG1 THR X 55 -16.640 -1.245 -5.680 1.00 0.00 H new ATOM 0 HG21 THR X 55 -17.519 -2.132 -7.750 1.00 0.00 H new ATOM 0 HG22 THR X 55 -19.108 -2.927 -7.655 1.00 0.00 H new ATOM 0 HG23 THR X 55 -18.984 -1.162 -7.467 1.00 0.00 H new ATOM 843 N GLU X 56 -21.654 -3.296 -6.059 1.00 0.00 N ATOM 844 CA GLU X 56 -22.503 -4.407 -6.483 1.00 0.00 C ATOM 845 C GLU X 56 -21.674 -5.665 -6.729 1.00 0.00 C ATOM 846 O GLU X 56 -20.683 -5.572 -7.434 1.00 0.00 O ATOM 847 CB GLU X 56 -23.251 -4.031 -7.764 1.00 0.00 C ATOM 848 CG GLU X 56 -22.277 -3.394 -8.757 1.00 0.00 C ATOM 849 CD GLU X 56 -21.951 -1.969 -8.324 1.00 0.00 C ATOM 850 OE1 GLU X 56 -22.507 -1.531 -7.330 1.00 0.00 O ATOM 851 OE2 GLU X 56 -21.149 -1.336 -8.992 1.00 0.00 O ATOM 852 OXT GLU X 56 -22.044 -6.705 -6.208 1.00 0.00 O ATOM 0 H GLU X 56 -22.037 -2.371 -6.255 1.00 0.00 H new ATOM 0 HA GLU X 56 -23.218 -4.612 -5.686 1.00 0.00 H new ATOM 0 HB2 GLU X 56 -23.708 -4.917 -8.204 1.00 0.00 H new ATOM 0 HB3 GLU X 56 -24.059 -3.336 -7.535 1.00 0.00 H new ATOM 0 HG2 GLU X 56 -21.363 -3.985 -8.812 1.00 0.00 H new ATOM 0 HG3 GLU X 56 -22.714 -3.389 -9.756 1.00 0.00 H new