USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 GLN : amide:sc= -0.773 K(o=-0.28,f=0.48) USER MOD Set 1.2: A 65 SER OG : rot -90:sc= 0.494 USER MOD Set 2.1: A 40 GLN : amide:sc= -0.0456 X(o=-0.52,f=-0.53) USER MOD Set 2.2: A 41 ASN : amide:sc= -0.471 X(o=-0.52,f=-0.17) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 163:sc= 1.25 (180deg=1.23) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -167:sc= 0 (180deg=-0.121) USER MOD Single : A 1 MET N :NH3+ -169:sc= 2.47 (180deg=2.07) USER MOD Single : A 2 GLN : amide:sc= -0.0195 X(o=-0.019,f=-0.055) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00205 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -69:sc= 0.235 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00947 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0571 USER MOD Single : A 25 ASN : amide:sc= 0.666 K(o=0.67,f=-0.21) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 2.06 (180deg=2.06) USER MOD Single : A 29 LYS NZ :NH3+ -137:sc= 1.35 (180deg=0.492) USER MOD Single : A 31 GLN : amide:sc= 1.52 K(o=1.5,f=-0.52) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.131 K(o=-0.13,f=-3.6!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0253 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -42:sc= 0.733 USER MOD Single : A 60 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.27) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.234 -11.320 6.868 1.00 0.00 N ATOM 2 CA MET A 1 -7.917 -11.788 5.496 1.00 0.00 C ATOM 3 C MET A 1 -6.548 -11.255 5.081 1.00 0.00 C ATOM 4 O MET A 1 -6.426 -10.153 4.556 1.00 0.00 O ATOM 5 CB MET A 1 -9.049 -11.410 4.526 1.00 0.00 C ATOM 6 CG MET A 1 -8.804 -11.979 3.128 1.00 0.00 C ATOM 7 SD MET A 1 -10.300 -12.415 2.199 1.00 0.00 S ATOM 8 CE MET A 1 -10.849 -13.875 3.131 1.00 0.00 C ATOM 0 H1 MET A 1 -9.070 -11.827 7.223 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.424 -11.506 7.494 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.430 -10.299 6.850 1.00 0.00 H new ATOM 0 HA MET A 1 -7.854 -12.876 5.470 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.998 -11.783 4.910 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.133 -10.325 4.468 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.237 -11.249 2.550 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.180 -12.868 3.219 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.617 -14.401 2.564 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.002 -14.540 3.297 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.258 -13.561 4.091 1.00 0.00 H new ATOM 20 N GLN A 2 -5.506 -12.051 5.328 1.00 0.00 N ATOM 21 CA GLN A 2 -4.110 -11.617 5.244 1.00 0.00 C ATOM 22 C GLN A 2 -3.638 -11.380 3.794 1.00 0.00 C ATOM 23 O GLN A 2 -3.954 -12.169 2.898 1.00 0.00 O ATOM 24 CB GLN A 2 -3.255 -12.648 6.002 1.00 0.00 C ATOM 25 CG GLN A 2 -1.768 -12.285 6.119 1.00 0.00 C ATOM 26 CD GLN A 2 -1.096 -13.022 7.280 1.00 0.00 C ATOM 27 OE1 GLN A 2 -1.358 -12.767 8.443 1.00 0.00 O ATOM 28 NE2 GLN A 2 -0.230 -13.976 7.011 1.00 0.00 N ATOM 0 H GLN A 2 -5.610 -13.030 5.596 1.00 0.00 H new ATOM 0 HA GLN A 2 -3.999 -10.639 5.713 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -3.665 -12.773 7.004 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.342 -13.611 5.500 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -1.259 -12.532 5.188 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.666 -11.209 6.263 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -0.002 -14.199 6.042 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.213 -14.492 7.771 1.00 0.00 H new ATOM 37 N ILE A 3 -2.867 -10.308 3.575 1.00 0.00 N ATOM 38 CA ILE A 3 -2.334 -9.860 2.270 1.00 0.00 C ATOM 39 C ILE A 3 -0.891 -9.340 2.416 1.00 0.00 C ATOM 40 O ILE A 3 -0.439 -9.027 3.521 1.00 0.00 O ATOM 41 CB ILE A 3 -3.248 -8.783 1.625 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.281 -7.467 2.441 1.00 0.00 C ATOM 43 CG2 ILE A 3 -4.663 -9.333 1.382 1.00 0.00 C ATOM 44 CD1 ILE A 3 -4.107 -6.345 1.796 1.00 0.00 C ATOM 0 H ILE A 3 -2.580 -9.694 4.338 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.319 -10.723 1.604 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.812 -8.534 0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.686 -7.677 3.431 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.259 -7.115 2.582 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.282 -8.558 0.930 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.610 -10.192 0.713 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.102 -9.640 2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.078 -5.460 2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.691 -6.103 0.818 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.140 -6.674 1.680 1.00 0.00 H new ATOM 56 N PHE A 4 -0.175 -9.216 1.295 1.00 0.00 N ATOM 57 CA PHE A 4 1.253 -8.884 1.256 1.00 0.00 C ATOM 58 C PHE A 4 1.580 -7.639 0.419 1.00 0.00 C ATOM 59 O PHE A 4 0.903 -7.382 -0.575 1.00 0.00 O ATOM 60 CB PHE A 4 2.029 -10.092 0.716 1.00 0.00 C ATOM 61 CG PHE A 4 1.855 -11.362 1.529 1.00 0.00 C ATOM 62 CD1 PHE A 4 2.421 -11.470 2.813 1.00 0.00 C ATOM 63 CD2 PHE A 4 1.105 -12.435 1.005 1.00 0.00 C ATOM 64 CE1 PHE A 4 2.247 -12.647 3.564 1.00 0.00 C ATOM 65 CE2 PHE A 4 0.932 -13.612 1.756 1.00 0.00 C ATOM 66 CZ PHE A 4 1.508 -13.719 3.035 1.00 0.00 C ATOM 0 H PHE A 4 -0.581 -9.346 0.368 1.00 0.00 H new ATOM 0 HA PHE A 4 1.552 -8.646 2.277 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.711 -10.284 -0.309 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.089 -9.841 0.679 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.990 -10.648 3.222 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.662 -12.353 0.024 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.682 -12.727 4.549 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.358 -14.432 1.351 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.382 -14.624 3.610 1.00 0.00 H new ATOM 76 N VAL A 5 2.653 -6.907 0.762 1.00 0.00 N ATOM 77 CA VAL A 5 3.220 -5.794 -0.032 1.00 0.00 C ATOM 78 C VAL A 5 4.710 -5.964 -0.324 1.00 0.00 C ATOM 79 O VAL A 5 5.482 -6.287 0.575 1.00 0.00 O ATOM 80 CB VAL A 5 2.948 -4.393 0.560 1.00 0.00 C ATOM 81 CG1 VAL A 5 3.133 -3.293 -0.494 1.00 0.00 C ATOM 82 CG2 VAL A 5 1.558 -4.244 1.192 1.00 0.00 C ATOM 0 H VAL A 5 3.169 -7.075 1.626 1.00 0.00 H new ATOM 0 HA VAL A 5 2.680 -5.850 -0.977 1.00 0.00 H new ATOM 0 HB VAL A 5 3.685 -4.281 1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.934 -2.321 -0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.156 -3.317 -0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.440 -3.459 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.443 -3.234 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.793 -4.429 0.437 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.448 -4.963 2.003 1.00 0.00 H new ATOM 92 N LYS A 6 5.144 -5.716 -1.562 1.00 0.00 N ATOM 93 CA LYS A 6 6.528 -5.883 -2.017 1.00 0.00 C ATOM 94 C LYS A 6 7.235 -4.534 -2.020 1.00 0.00 C ATOM 95 O LYS A 6 6.836 -3.663 -2.783 1.00 0.00 O ATOM 96 CB LYS A 6 6.486 -6.532 -3.414 1.00 0.00 C ATOM 97 CG LYS A 6 7.811 -6.479 -4.185 1.00 0.00 C ATOM 98 CD LYS A 6 8.978 -7.238 -3.509 1.00 0.00 C ATOM 99 CE LYS A 6 8.531 -8.594 -2.924 1.00 0.00 C ATOM 100 NZ LYS A 6 9.658 -9.510 -2.627 1.00 0.00 N ATOM 0 H LYS A 6 4.523 -5.383 -2.299 1.00 0.00 H new ATOM 0 HA LYS A 6 7.095 -6.530 -1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.185 -7.574 -3.307 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.716 -6.037 -4.007 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.654 -6.893 -5.181 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.100 -5.436 -4.315 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.772 -7.403 -4.237 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.397 -6.622 -2.714 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.966 -8.417 -2.009 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.855 -9.079 -3.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.334 -10.263 -1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.004 -9.933 -3.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.428 -8.978 -2.174 1.00 0.00 H new ATOM 114 N THR A 7 8.263 -4.359 -1.194 1.00 0.00 N ATOM 115 CA THR A 7 9.085 -3.138 -1.174 1.00 0.00 C ATOM 116 C THR A 7 10.241 -3.112 -2.175 1.00 0.00 C ATOM 117 O THR A 7 10.687 -4.153 -2.656 1.00 0.00 O ATOM 118 CB THR A 7 9.521 -2.691 0.241 1.00 0.00 C ATOM 119 OG1 THR A 7 10.817 -3.147 0.551 1.00 0.00 O ATOM 120 CG2 THR A 7 8.611 -3.151 1.378 1.00 0.00 C ATOM 0 H THR A 7 8.556 -5.060 -0.514 1.00 0.00 H new ATOM 0 HA THR A 7 8.390 -2.379 -1.532 1.00 0.00 H new ATOM 0 HB THR A 7 9.471 -1.604 0.182 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.063 -2.846 1.451 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.003 -2.787 2.328 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.607 -2.755 1.224 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.573 -4.240 1.395 1.00 0.00 H new ATOM 128 N LEU A 8 10.761 -1.910 -2.451 1.00 0.00 N ATOM 129 CA LEU A 8 11.967 -1.699 -3.266 1.00 0.00 C ATOM 130 C LEU A 8 13.201 -2.403 -2.675 1.00 0.00 C ATOM 131 O LEU A 8 14.030 -2.929 -3.410 1.00 0.00 O ATOM 132 CB LEU A 8 12.244 -0.188 -3.370 1.00 0.00 C ATOM 133 CG LEU A 8 11.136 0.640 -4.041 1.00 0.00 C ATOM 134 CD1 LEU A 8 11.447 2.118 -3.845 1.00 0.00 C ATOM 135 CD2 LEU A 8 11.020 0.362 -5.540 1.00 0.00 C ATOM 0 H LEU A 8 10.350 -1.041 -2.109 1.00 0.00 H new ATOM 0 HA LEU A 8 11.784 -2.129 -4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.410 0.204 -2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.170 -0.043 -3.926 1.00 0.00 H new ATOM 0 HG LEU A 8 10.189 0.361 -3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.669 2.719 -4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.485 2.344 -2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 8 12.410 2.351 -4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.223 0.973 -5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.963 0.606 -6.029 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.792 -0.692 -5.698 1.00 0.00 H new ATOM 147 N THR A 9 13.290 -2.479 -1.344 1.00 0.00 N ATOM 148 CA THR A 9 14.302 -3.239 -0.592 1.00 0.00 C ATOM 149 C THR A 9 14.166 -4.770 -0.624 1.00 0.00 C ATOM 150 O THR A 9 14.637 -5.467 0.272 1.00 0.00 O ATOM 151 CB THR A 9 14.535 -2.679 0.829 1.00 0.00 C ATOM 152 OG1 THR A 9 14.117 -1.330 0.952 1.00 0.00 O ATOM 153 CG2 THR A 9 15.993 -2.762 1.279 1.00 0.00 C ATOM 0 H THR A 9 12.633 -1.994 -0.733 1.00 0.00 H new ATOM 0 HA THR A 9 15.217 -3.068 -1.160 1.00 0.00 H new ATOM 0 HB THR A 9 13.928 -3.317 1.472 1.00 0.00 H new ATOM 0 HG1 THR A 9 14.282 -1.019 1.867 1.00 0.00 H new ATOM 0 HG21 THR A 9 16.087 -2.352 2.285 1.00 0.00 H new ATOM 0 HG22 THR A 9 16.315 -3.803 1.280 1.00 0.00 H new ATOM 0 HG23 THR A 9 16.618 -2.189 0.594 1.00 0.00 H new ATOM 161 N GLY A 10 13.422 -5.311 -1.595 1.00 0.00 N ATOM 162 CA GLY A 10 13.137 -6.742 -1.770 1.00 0.00 C ATOM 163 C GLY A 10 12.193 -7.364 -0.731 1.00 0.00 C ATOM 164 O GLY A 10 11.608 -8.414 -1.005 1.00 0.00 O ATOM 0 H GLY A 10 12.981 -4.738 -2.314 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.706 -6.889 -2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.081 -7.287 -1.749 1.00 0.00 H new ATOM 168 N LYS A 11 11.989 -6.726 0.429 1.00 0.00 N ATOM 169 CA LYS A 11 11.142 -7.208 1.533 1.00 0.00 C ATOM 170 C LYS A 11 9.680 -7.454 1.129 1.00 0.00 C ATOM 171 O LYS A 11 9.138 -6.797 0.235 1.00 0.00 O ATOM 172 CB LYS A 11 11.196 -6.222 2.720 1.00 0.00 C ATOM 173 CG LYS A 11 12.546 -6.109 3.454 1.00 0.00 C ATOM 174 CD LYS A 11 12.980 -7.407 4.164 1.00 0.00 C ATOM 175 CE LYS A 11 13.599 -7.146 5.546 1.00 0.00 C ATOM 176 NZ LYS A 11 14.841 -6.340 5.484 1.00 0.00 N ATOM 0 H LYS A 11 12.424 -5.827 0.634 1.00 0.00 H new ATOM 0 HA LYS A 11 11.552 -8.175 1.826 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.921 -5.232 2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.437 -6.517 3.444 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.316 -5.824 2.737 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.483 -5.307 4.190 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.116 -8.062 4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.702 -7.934 3.540 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.870 -6.632 6.173 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.816 -8.100 6.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.211 -6.198 6.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.551 -6.839 4.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.634 -5.417 5.052 1.00 0.00 H new ATOM 190 N THR A 12 9.039 -8.364 1.858 1.00 0.00 N ATOM 191 CA THR A 12 7.598 -8.648 1.801 1.00 0.00 C ATOM 192 C THR A 12 6.900 -8.291 3.116 1.00 0.00 C ATOM 193 O THR A 12 7.032 -9.004 4.106 1.00 0.00 O ATOM 194 CB THR A 12 7.311 -10.095 1.365 1.00 0.00 C ATOM 195 OG1 THR A 12 8.070 -10.456 0.225 1.00 0.00 O ATOM 196 CG2 THR A 12 5.843 -10.322 1.018 1.00 0.00 C ATOM 0 H THR A 12 9.526 -8.951 2.535 1.00 0.00 H new ATOM 0 HA THR A 12 7.174 -8.003 1.031 1.00 0.00 H new ATOM 0 HB THR A 12 7.586 -10.710 2.222 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.865 -11.381 -0.025 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.696 -11.359 0.717 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.225 -10.106 1.890 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.557 -9.663 0.199 1.00 0.00 H new ATOM 204 N ILE A 13 6.179 -7.169 3.138 1.00 0.00 N ATOM 205 CA ILE A 13 5.348 -6.724 4.268 1.00 0.00 C ATOM 206 C ILE A 13 4.105 -7.612 4.355 1.00 0.00 C ATOM 207 O ILE A 13 3.535 -7.955 3.322 1.00 0.00 O ATOM 208 CB ILE A 13 4.917 -5.249 4.084 1.00 0.00 C ATOM 209 CG1 ILE A 13 6.068 -4.300 3.688 1.00 0.00 C ATOM 210 CG2 ILE A 13 4.166 -4.705 5.314 1.00 0.00 C ATOM 211 CD1 ILE A 13 7.200 -4.194 4.721 1.00 0.00 C ATOM 0 H ILE A 13 6.153 -6.523 2.349 1.00 0.00 H new ATOM 0 HA ILE A 13 5.930 -6.802 5.186 1.00 0.00 H new ATOM 0 HB ILE A 13 4.230 -5.268 3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.490 -4.638 2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.657 -3.305 3.517 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.884 -3.667 5.138 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.269 -5.301 5.486 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.813 -4.762 6.190 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.962 -3.506 4.356 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.798 -3.824 5.664 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.644 -5.177 4.877 1.00 0.00 H new ATOM 223 N THR A 14 3.644 -7.914 5.570 1.00 0.00 N ATOM 224 CA THR A 14 2.365 -8.600 5.836 1.00 0.00 C ATOM 225 C THR A 14 1.333 -7.697 6.515 1.00 0.00 C ATOM 226 O THR A 14 1.665 -6.981 7.462 1.00 0.00 O ATOM 227 CB THR A 14 2.568 -9.915 6.606 1.00 0.00 C ATOM 228 OG1 THR A 14 3.622 -10.662 6.042 1.00 0.00 O ATOM 229 CG2 THR A 14 1.330 -10.800 6.607 1.00 0.00 C ATOM 0 H THR A 14 4.157 -7.685 6.421 1.00 0.00 H new ATOM 0 HA THR A 14 1.951 -8.855 4.860 1.00 0.00 H new ATOM 0 HB THR A 14 2.793 -9.623 7.632 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.354 -10.990 5.158 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.536 -11.713 7.166 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.502 -10.267 7.075 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.064 -11.055 5.581 1.00 0.00 H new ATOM 237 N LEU A 15 0.083 -7.723 6.044 1.00 0.00 N ATOM 238 CA LEU A 15 -1.037 -6.933 6.564 1.00 0.00 C ATOM 239 C LEU A 15 -2.274 -7.811 6.779 1.00 0.00 C ATOM 240 O LEU A 15 -2.526 -8.745 6.022 1.00 0.00 O ATOM 241 CB LEU A 15 -1.376 -5.784 5.592 1.00 0.00 C ATOM 242 CG LEU A 15 -0.311 -4.681 5.492 1.00 0.00 C ATOM 243 CD1 LEU A 15 -0.603 -3.783 4.287 1.00 0.00 C ATOM 244 CD2 LEU A 15 -0.266 -3.799 6.743 1.00 0.00 C ATOM 0 H LEU A 15 -0.187 -8.317 5.260 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.738 -6.515 7.525 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.537 -6.204 4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.318 -5.332 5.903 1.00 0.00 H new ATOM 0 HG LEU A 15 0.651 -5.182 5.385 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.156 -3.003 4.222 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.588 -4.381 3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.585 -3.325 4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.502 -3.035 6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.235 -3.320 6.885 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.034 -4.413 7.613 1.00 0.00 H new ATOM 256 N GLU A 16 -3.071 -7.447 7.781 1.00 0.00 N ATOM 257 CA GLU A 16 -4.396 -8.018 8.051 1.00 0.00 C ATOM 258 C GLU A 16 -5.495 -6.965 7.873 1.00 0.00 C ATOM 259 O GLU A 16 -5.405 -5.859 8.412 1.00 0.00 O ATOM 260 CB GLU A 16 -4.456 -8.642 9.456 1.00 0.00 C ATOM 261 CG GLU A 16 -4.032 -10.119 9.499 1.00 0.00 C ATOM 262 CD GLU A 16 -5.151 -11.065 9.025 1.00 0.00 C ATOM 263 OE1 GLU A 16 -5.885 -10.742 8.071 1.00 0.00 O ATOM 264 OE2 GLU A 16 -5.314 -12.155 9.631 1.00 0.00 O ATOM 0 H GLU A 16 -2.808 -6.724 8.451 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.570 -8.812 7.325 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.813 -8.070 10.125 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.473 -8.555 9.839 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.151 -10.260 8.872 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.744 -10.382 10.517 1.00 0.00 H new ATOM 271 N VAL A 17 -6.519 -7.326 7.100 1.00 0.00 N ATOM 272 CA VAL A 17 -7.702 -6.532 6.726 1.00 0.00 C ATOM 273 C VAL A 17 -8.814 -7.515 6.336 1.00 0.00 C ATOM 274 O VAL A 17 -8.539 -8.689 6.111 1.00 0.00 O ATOM 275 CB VAL A 17 -7.416 -5.601 5.521 1.00 0.00 C ATOM 276 CG1 VAL A 17 -6.458 -4.461 5.879 1.00 0.00 C ATOM 277 CG2 VAL A 17 -6.854 -6.328 4.291 1.00 0.00 C ATOM 0 H VAL A 17 -6.551 -8.256 6.682 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.987 -5.904 7.570 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.397 -5.200 5.265 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.290 -3.838 5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.893 -3.857 6.675 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.508 -4.876 6.216 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.680 -5.608 3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.914 -6.813 4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.568 -7.079 3.955 1.00 0.00 H new ATOM 287 N GLU A 18 -10.057 -7.060 6.183 1.00 0.00 N ATOM 288 CA GLU A 18 -11.136 -7.842 5.559 1.00 0.00 C ATOM 289 C GLU A 18 -11.432 -7.348 4.129 1.00 0.00 C ATOM 290 O GLU A 18 -11.233 -6.168 3.843 1.00 0.00 O ATOM 291 CB GLU A 18 -12.383 -7.837 6.466 1.00 0.00 C ATOM 292 CG GLU A 18 -12.578 -9.140 7.259 1.00 0.00 C ATOM 293 CD GLU A 18 -11.289 -9.782 7.792 1.00 0.00 C ATOM 294 OE1 GLU A 18 -10.630 -9.178 8.664 1.00 0.00 O ATOM 295 OE2 GLU A 18 -10.973 -10.919 7.355 1.00 0.00 O ATOM 0 H GLU A 18 -10.351 -6.132 6.489 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.812 -8.878 5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.309 -7.004 7.166 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.266 -7.660 5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.239 -8.938 8.102 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.087 -9.862 6.621 1.00 0.00 H new ATOM 302 N PRO A 19 -11.927 -8.210 3.213 1.00 0.00 N ATOM 303 CA PRO A 19 -12.099 -7.872 1.789 1.00 0.00 C ATOM 304 C PRO A 19 -13.148 -6.774 1.532 1.00 0.00 C ATOM 305 O PRO A 19 -13.193 -6.195 0.446 1.00 0.00 O ATOM 306 CB PRO A 19 -12.487 -9.192 1.113 1.00 0.00 C ATOM 307 CG PRO A 19 -13.182 -9.975 2.227 1.00 0.00 C ATOM 308 CD PRO A 19 -12.386 -9.568 3.466 1.00 0.00 C ATOM 0 HA PRO A 19 -11.180 -7.447 1.386 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.151 -9.028 0.264 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.612 -9.722 0.736 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.235 -9.707 2.315 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.141 -11.050 2.054 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.007 -9.611 4.361 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -11.545 -10.241 3.629 1.00 0.00 H new ATOM 316 N SER A 20 -13.983 -6.480 2.534 1.00 0.00 N ATOM 317 CA SER A 20 -14.934 -5.368 2.557 1.00 0.00 C ATOM 318 C SER A 20 -14.302 -3.993 2.812 1.00 0.00 C ATOM 319 O SER A 20 -14.967 -2.989 2.552 1.00 0.00 O ATOM 320 CB SER A 20 -15.993 -5.649 3.627 1.00 0.00 C ATOM 321 OG SER A 20 -15.388 -5.882 4.890 1.00 0.00 O ATOM 0 H SER A 20 -14.014 -7.036 3.388 1.00 0.00 H new ATOM 0 HA SER A 20 -15.369 -5.312 1.559 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.678 -4.804 3.698 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.586 -6.516 3.338 1.00 0.00 H new ATOM 0 HG SER A 20 -16.083 -6.057 5.558 1.00 0.00 H new ATOM 327 N ASP A 21 -13.062 -3.914 3.317 1.00 0.00 N ATOM 328 CA ASP A 21 -12.379 -2.633 3.511 1.00 0.00 C ATOM 329 C ASP A 21 -12.172 -1.795 2.242 1.00 0.00 C ATOM 330 O ASP A 21 -11.829 -2.288 1.160 1.00 0.00 O ATOM 331 CB ASP A 21 -11.113 -2.701 4.394 1.00 0.00 C ATOM 332 CG ASP A 21 -11.379 -2.579 5.904 1.00 0.00 C ATOM 333 OD1 ASP A 21 -12.413 -3.074 6.401 1.00 0.00 O ATOM 334 OD2 ASP A 21 -10.574 -1.901 6.593 1.00 0.00 O ATOM 0 H ASP A 21 -12.513 -4.726 3.598 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.111 -2.074 4.093 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.603 -3.645 4.203 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.432 -1.905 4.093 1.00 0.00 H new ATOM 339 N THR A 22 -12.382 -0.490 2.395 1.00 0.00 N ATOM 340 CA THR A 22 -12.165 0.509 1.353 1.00 0.00 C ATOM 341 C THR A 22 -10.657 0.735 1.175 1.00 0.00 C ATOM 342 O THR A 22 -9.856 0.587 2.099 1.00 0.00 O ATOM 343 CB THR A 22 -12.867 1.825 1.730 1.00 0.00 C ATOM 344 OG1 THR A 22 -12.513 2.217 3.038 1.00 0.00 O ATOM 345 CG2 THR A 22 -14.387 1.690 1.709 1.00 0.00 C ATOM 0 H THR A 22 -12.717 -0.088 3.271 1.00 0.00 H new ATOM 0 HA THR A 22 -12.586 0.154 0.412 1.00 0.00 H new ATOM 0 HB THR A 22 -12.548 2.561 0.992 1.00 0.00 H new ATOM 0 HG1 THR A 22 -12.966 3.056 3.262 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.841 2.643 1.981 1.00 0.00 H new ATOM 0 HG22 THR A 22 -14.713 1.406 0.709 1.00 0.00 H new ATOM 0 HG23 THR A 22 -14.694 0.925 2.422 1.00 0.00 H new ATOM 353 N ILE A 23 -10.244 1.138 -0.029 1.00 0.00 N ATOM 354 CA ILE A 23 -8.836 1.381 -0.379 1.00 0.00 C ATOM 355 C ILE A 23 -8.208 2.481 0.504 1.00 0.00 C ATOM 356 O ILE A 23 -7.037 2.388 0.858 1.00 0.00 O ATOM 357 CB ILE A 23 -8.733 1.678 -1.899 1.00 0.00 C ATOM 358 CG1 ILE A 23 -9.145 0.483 -2.794 1.00 0.00 C ATOM 359 CG2 ILE A 23 -7.325 2.138 -2.303 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.359 -0.823 -2.601 1.00 0.00 C ATOM 0 H ILE A 23 -10.886 1.308 -0.803 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.249 0.486 -0.174 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.445 2.486 -2.067 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.201 0.275 -2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.048 0.788 -3.836 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.300 2.334 -3.375 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.070 3.049 -1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.604 1.358 -2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.741 -1.582 -3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.304 -0.647 -2.809 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.474 -1.168 -1.574 1.00 0.00 H new ATOM 372 N GLU A 24 -8.989 3.473 0.947 1.00 0.00 N ATOM 373 CA GLU A 24 -8.592 4.451 1.981 1.00 0.00 C ATOM 374 C GLU A 24 -8.255 3.771 3.327 1.00 0.00 C ATOM 375 O GLU A 24 -7.175 3.993 3.875 1.00 0.00 O ATOM 376 CB GLU A 24 -9.679 5.549 2.124 1.00 0.00 C ATOM 377 CG GLU A 24 -11.062 5.003 2.513 1.00 0.00 C ATOM 378 CD GLU A 24 -12.274 5.923 2.282 1.00 0.00 C ATOM 379 OE1 GLU A 24 -12.132 7.066 1.785 1.00 0.00 O ATOM 380 OE2 GLU A 24 -13.392 5.434 2.564 1.00 0.00 O ATOM 0 H GLU A 24 -9.934 3.626 0.594 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.670 4.935 1.658 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.358 6.270 2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.764 6.089 1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.229 4.080 1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.035 4.739 3.570 1.00 0.00 H new ATOM 387 N ASN A 25 -9.104 2.856 3.814 1.00 0.00 N ATOM 388 CA ASN A 25 -8.893 2.100 5.054 1.00 0.00 C ATOM 389 C ASN A 25 -7.607 1.262 5.053 1.00 0.00 C ATOM 390 O ASN A 25 -6.957 1.144 6.093 1.00 0.00 O ATOM 391 CB ASN A 25 -10.110 1.194 5.303 1.00 0.00 C ATOM 392 CG ASN A 25 -11.012 1.683 6.417 1.00 0.00 C ATOM 393 OD1 ASN A 25 -11.158 2.860 6.699 1.00 0.00 O ATOM 394 ND2 ASN A 25 -11.623 0.756 7.106 1.00 0.00 N ATOM 0 H ASN A 25 -9.977 2.616 3.345 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.778 2.828 5.857 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.690 1.119 4.383 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.762 0.190 5.543 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.227 1.015 7.886 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.496 -0.227 6.864 1.00 0.00 H new ATOM 401 N VAL A 26 -7.246 0.659 3.917 1.00 0.00 N ATOM 402 CA VAL A 26 -5.988 -0.093 3.766 1.00 0.00 C ATOM 403 C VAL A 26 -4.768 0.822 3.653 1.00 0.00 C ATOM 404 O VAL A 26 -3.765 0.600 4.336 1.00 0.00 O ATOM 405 CB VAL A 26 -6.038 -1.082 2.590 1.00 0.00 C ATOM 406 CG1 VAL A 26 -4.861 -2.068 2.638 1.00 0.00 C ATOM 407 CG2 VAL A 26 -7.340 -1.897 2.571 1.00 0.00 C ATOM 0 H VAL A 26 -7.816 0.676 3.072 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.878 -0.672 4.683 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.982 -0.473 1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.926 -2.753 1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.922 -1.517 2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.899 -2.635 3.568 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.329 -2.581 1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.426 -2.467 3.496 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.191 -1.222 2.481 1.00 0.00 H new ATOM 417 N LYS A 27 -4.864 1.881 2.835 1.00 0.00 N ATOM 418 CA LYS A 27 -3.801 2.889 2.674 1.00 0.00 C ATOM 419 C LYS A 27 -3.489 3.674 3.949 1.00 0.00 C ATOM 420 O LYS A 27 -2.392 4.213 4.038 1.00 0.00 O ATOM 421 CB LYS A 27 -4.118 3.833 1.503 1.00 0.00 C ATOM 422 CG LYS A 27 -3.941 3.134 0.140 1.00 0.00 C ATOM 423 CD LYS A 27 -4.031 4.067 -1.076 1.00 0.00 C ATOM 424 CE LYS A 27 -5.250 4.997 -1.057 1.00 0.00 C ATOM 425 NZ LYS A 27 -5.388 5.702 -2.357 1.00 0.00 N ATOM 0 H LYS A 27 -5.687 2.065 2.262 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.892 2.332 2.447 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.142 4.196 1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.465 4.705 1.552 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.972 2.634 0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.701 2.359 0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.126 4.672 -1.125 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.061 3.464 -1.983 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.152 4.420 -0.852 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.147 5.724 -0.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.218 6.327 -2.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.535 6.268 -2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.508 5.005 -3.119 1.00 0.00 H new ATOM 439 N ALA A 28 -4.394 3.687 4.929 1.00 0.00 N ATOM 440 CA ALA A 28 -4.137 4.162 6.293 1.00 0.00 C ATOM 441 C ALA A 28 -3.460 3.103 7.191 1.00 0.00 C ATOM 442 O ALA A 28 -2.428 3.378 7.803 1.00 0.00 O ATOM 443 CB ALA A 28 -5.473 4.633 6.892 1.00 0.00 C ATOM 0 H ALA A 28 -5.351 3.360 4.794 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.426 4.987 6.245 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.310 4.992 7.908 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.880 5.440 6.283 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.177 3.801 6.910 1.00 0.00 H new ATOM 449 N LYS A 29 -3.995 1.871 7.263 1.00 0.00 N ATOM 450 CA LYS A 29 -3.498 0.813 8.181 1.00 0.00 C ATOM 451 C LYS A 29 -2.005 0.491 8.042 1.00 0.00 C ATOM 452 O LYS A 29 -1.358 0.121 9.020 1.00 0.00 O ATOM 453 CB LYS A 29 -4.335 -0.468 8.027 1.00 0.00 C ATOM 454 CG LYS A 29 -5.695 -0.360 8.735 1.00 0.00 C ATOM 455 CD LYS A 29 -6.548 -1.615 8.486 1.00 0.00 C ATOM 456 CE LYS A 29 -7.930 -1.517 9.145 1.00 0.00 C ATOM 457 NZ LYS A 29 -8.869 -0.690 8.347 1.00 0.00 N ATOM 0 H LYS A 29 -4.784 1.574 6.689 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.616 1.224 9.184 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.494 -0.672 6.968 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.781 -1.314 8.435 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.542 -0.227 9.806 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.226 0.522 8.377 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.669 -1.763 7.413 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.025 -2.490 8.872 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.344 -2.518 9.269 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.827 -1.088 10.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.405 -0.063 8.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.333 -0.116 7.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.529 -1.310 7.835 1.00 0.00 H new ATOM 471 N ILE A 30 -1.444 0.662 6.843 1.00 0.00 N ATOM 472 CA ILE A 30 -0.013 0.433 6.569 1.00 0.00 C ATOM 473 C ILE A 30 0.925 1.378 7.356 1.00 0.00 C ATOM 474 O ILE A 30 2.078 1.021 7.614 1.00 0.00 O ATOM 475 CB ILE A 30 0.234 0.529 5.048 1.00 0.00 C ATOM 476 CG1 ILE A 30 1.566 -0.163 4.693 1.00 0.00 C ATOM 477 CG2 ILE A 30 0.200 1.975 4.534 1.00 0.00 C ATOM 478 CD1 ILE A 30 1.790 -0.340 3.184 1.00 0.00 C ATOM 0 H ILE A 30 -1.970 0.966 6.024 1.00 0.00 H new ATOM 0 HA ILE A 30 0.233 -0.569 6.920 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.583 0.012 4.544 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.389 0.420 5.107 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.595 -1.141 5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.380 1.983 3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.776 2.412 4.742 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.973 2.558 5.035 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.747 -0.834 3.014 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.988 -0.949 2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.794 0.637 2.700 1.00 0.00 H new ATOM 490 N GLN A 31 0.461 2.566 7.768 1.00 0.00 N ATOM 491 CA GLN A 31 1.290 3.487 8.548 1.00 0.00 C ATOM 492 C GLN A 31 1.464 3.056 10.017 1.00 0.00 C ATOM 493 O GLN A 31 2.568 3.153 10.537 1.00 0.00 O ATOM 494 CB GLN A 31 0.771 4.934 8.433 1.00 0.00 C ATOM 495 CG GLN A 31 1.099 5.595 7.081 1.00 0.00 C ATOM 496 CD GLN A 31 -0.090 5.651 6.129 1.00 0.00 C ATOM 497 OE1 GLN A 31 -1.161 6.131 6.454 1.00 0.00 O ATOM 498 NE2 GLN A 31 0.060 5.205 4.903 1.00 0.00 N ATOM 0 H GLN A 31 -0.480 2.908 7.574 1.00 0.00 H new ATOM 0 HA GLN A 31 2.288 3.449 8.111 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.309 4.937 8.578 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.202 5.532 9.236 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.460 6.608 7.259 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.911 5.046 6.604 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.950 4.800 4.613 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.713 5.264 4.241 1.00 0.00 H new ATOM 507 N ASP A 32 0.423 2.537 10.674 1.00 0.00 N ATOM 508 CA ASP A 32 0.452 2.239 12.123 1.00 0.00 C ATOM 509 C ASP A 32 1.187 0.901 12.392 1.00 0.00 C ATOM 510 O ASP A 32 1.766 0.698 13.462 1.00 0.00 O ATOM 511 CB ASP A 32 -1.015 2.176 12.599 1.00 0.00 C ATOM 512 CG ASP A 32 -1.225 2.329 14.115 1.00 0.00 C ATOM 513 OD1 ASP A 32 -0.252 2.606 14.854 1.00 0.00 O ATOM 514 OD2 ASP A 32 -2.399 2.225 14.543 1.00 0.00 O ATOM 0 H ASP A 32 -0.464 2.309 10.225 1.00 0.00 H new ATOM 0 HA ASP A 32 0.996 3.010 12.669 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.578 2.959 12.091 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.440 1.223 12.285 1.00 0.00 H new ATOM 519 N LYS A 33 1.186 -0.032 11.421 1.00 0.00 N ATOM 520 CA LYS A 33 1.835 -1.355 11.554 1.00 0.00 C ATOM 521 C LYS A 33 3.328 -1.369 11.189 1.00 0.00 C ATOM 522 O LYS A 33 4.064 -2.214 11.697 1.00 0.00 O ATOM 523 CB LYS A 33 1.085 -2.410 10.717 1.00 0.00 C ATOM 524 CG LYS A 33 0.884 -3.690 11.551 1.00 0.00 C ATOM 525 CD LYS A 33 0.441 -4.911 10.727 1.00 0.00 C ATOM 526 CE LYS A 33 0.064 -6.132 11.592 1.00 0.00 C ATOM 527 NZ LYS A 33 1.140 -6.553 12.528 1.00 0.00 N ATOM 0 H LYS A 33 0.734 0.109 10.518 1.00 0.00 H new ATOM 0 HA LYS A 33 1.779 -1.600 12.615 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.119 -2.016 10.399 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.649 -2.639 9.813 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.817 -3.929 12.062 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.139 -3.495 12.322 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.415 -4.633 10.112 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.245 -5.192 10.047 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.833 -5.898 12.165 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.184 -6.968 10.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.820 -7.377 13.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.991 -6.807 11.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.362 -5.770 13.176 1.00 0.00 H new ATOM 541 N GLU A 34 3.760 -0.475 10.300 1.00 0.00 N ATOM 542 CA GLU A 34 5.147 -0.394 9.794 1.00 0.00 C ATOM 543 C GLU A 34 5.646 1.048 9.607 1.00 0.00 C ATOM 544 O GLU A 34 6.688 1.422 10.156 1.00 0.00 O ATOM 545 CB GLU A 34 5.239 -1.185 8.474 1.00 0.00 C ATOM 546 CG GLU A 34 6.552 -1.072 7.681 1.00 0.00 C ATOM 547 CD GLU A 34 7.803 -1.656 8.371 1.00 0.00 C ATOM 548 OE1 GLU A 34 7.700 -2.133 9.520 1.00 0.00 O ATOM 549 OE2 GLU A 34 8.886 -1.631 7.735 1.00 0.00 O ATOM 0 H GLU A 34 3.147 0.234 9.897 1.00 0.00 H new ATOM 0 HA GLU A 34 5.803 -0.832 10.547 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.068 -2.238 8.698 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.424 -0.860 7.827 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.421 -1.574 6.723 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.736 -0.019 7.467 1.00 0.00 H new ATOM 556 N GLY A 35 4.886 1.877 8.873 1.00 0.00 N ATOM 557 CA GLY A 35 5.247 3.274 8.591 1.00 0.00 C ATOM 558 C GLY A 35 5.567 3.561 7.120 1.00 0.00 C ATOM 559 O GLY A 35 6.632 4.088 6.814 1.00 0.00 O ATOM 0 H GLY A 35 3.999 1.594 8.457 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.426 3.919 8.904 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.112 3.542 9.197 1.00 0.00 H new ATOM 563 N ILE A 36 4.655 3.212 6.199 1.00 0.00 N ATOM 564 CA ILE A 36 4.765 3.535 4.757 1.00 0.00 C ATOM 565 C ILE A 36 3.836 4.722 4.397 1.00 0.00 C ATOM 566 O ILE A 36 2.674 4.488 4.051 1.00 0.00 O ATOM 567 CB ILE A 36 4.464 2.273 3.904 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.243 1.010 4.347 1.00 0.00 C ATOM 569 CG2 ILE A 36 4.693 2.523 2.403 1.00 0.00 C ATOM 570 CD1 ILE A 36 6.774 1.123 4.315 1.00 0.00 C ATOM 0 H ILE A 36 3.809 2.692 6.431 1.00 0.00 H new ATOM 0 HA ILE A 36 5.785 3.846 4.532 1.00 0.00 H new ATOM 0 HB ILE A 36 3.407 2.073 4.079 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.938 0.755 5.362 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.945 0.180 3.707 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.470 1.614 1.845 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.039 3.326 2.064 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.732 2.806 2.236 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.215 0.182 4.644 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.102 1.341 3.299 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.094 1.926 4.979 1.00 0.00 H new ATOM 582 N PRO A 37 4.264 5.997 4.527 1.00 0.00 N ATOM 583 CA PRO A 37 3.428 7.164 4.225 1.00 0.00 C ATOM 584 C PRO A 37 3.350 7.480 2.712 1.00 0.00 C ATOM 585 O PRO A 37 4.322 7.242 1.980 1.00 0.00 O ATOM 586 CB PRO A 37 4.067 8.324 4.998 1.00 0.00 C ATOM 587 CG PRO A 37 5.550 7.962 4.978 1.00 0.00 C ATOM 588 CD PRO A 37 5.527 6.440 5.105 1.00 0.00 C ATOM 0 HA PRO A 37 2.395 6.982 4.520 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.878 9.284 4.518 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.681 8.395 6.015 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.033 8.284 4.055 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.092 8.429 5.801 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.372 5.994 4.580 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.604 6.136 6.149 1.00 0.00 H new ATOM 596 N PRO A 38 2.242 8.098 2.242 1.00 0.00 N ATOM 597 CA PRO A 38 2.032 8.416 0.826 1.00 0.00 C ATOM 598 C PRO A 38 3.041 9.438 0.274 1.00 0.00 C ATOM 599 O PRO A 38 3.411 9.379 -0.895 1.00 0.00 O ATOM 600 CB PRO A 38 0.598 8.956 0.738 1.00 0.00 C ATOM 601 CG PRO A 38 0.341 9.528 2.132 1.00 0.00 C ATOM 602 CD PRO A 38 1.103 8.557 3.032 1.00 0.00 C ATOM 0 HA PRO A 38 2.183 7.526 0.214 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.505 9.721 -0.032 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.113 8.167 0.491 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.714 10.548 2.227 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.722 9.554 2.371 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.434 9.048 3.947 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.471 7.721 3.330 1.00 0.00 H new ATOM 610 N ASP A 39 3.525 10.359 1.109 1.00 0.00 N ATOM 611 CA ASP A 39 4.536 11.363 0.741 1.00 0.00 C ATOM 612 C ASP A 39 5.907 10.849 0.298 1.00 0.00 C ATOM 613 O ASP A 39 6.683 11.584 -0.314 1.00 0.00 O ATOM 614 CB ASP A 39 4.652 12.425 1.849 1.00 0.00 C ATOM 615 CG ASP A 39 3.478 13.402 1.853 1.00 0.00 C ATOM 616 OD1 ASP A 39 2.966 13.712 0.752 1.00 0.00 O ATOM 617 OD2 ASP A 39 3.083 13.828 2.960 1.00 0.00 O ATOM 0 H ASP A 39 3.222 10.433 2.080 1.00 0.00 H new ATOM 0 HA ASP A 39 4.152 11.806 -0.178 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.710 11.929 2.818 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.581 12.980 1.719 1.00 0.00 H new ATOM 622 N GLN A 40 6.193 9.576 0.581 1.00 0.00 N ATOM 623 CA GLN A 40 7.494 8.951 0.356 1.00 0.00 C ATOM 624 C GLN A 40 7.401 7.717 -0.564 1.00 0.00 C ATOM 625 O GLN A 40 8.379 7.379 -1.224 1.00 0.00 O ATOM 626 CB GLN A 40 8.075 8.660 1.752 1.00 0.00 C ATOM 627 CG GLN A 40 9.562 8.269 1.756 1.00 0.00 C ATOM 628 CD GLN A 40 9.784 6.774 1.947 1.00 0.00 C ATOM 629 OE1 GLN A 40 9.168 6.121 2.776 1.00 0.00 O ATOM 630 NE2 GLN A 40 10.691 6.188 1.204 1.00 0.00 N ATOM 0 H GLN A 40 5.507 8.937 0.983 1.00 0.00 H new ATOM 0 HA GLN A 40 8.168 9.611 -0.190 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.943 9.543 2.378 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.500 7.856 2.210 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.017 8.581 0.816 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.072 8.811 2.552 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.208 6.728 0.510 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.879 5.192 1.320 1.00 0.00 H new ATOM 639 N ASN A 41 6.240 7.060 -0.664 1.00 0.00 N ATOM 640 CA ASN A 41 6.051 5.836 -1.454 1.00 0.00 C ATOM 641 C ASN A 41 4.554 5.539 -1.760 1.00 0.00 C ATOM 642 O ASN A 41 3.684 6.026 -1.041 1.00 0.00 O ATOM 643 CB ASN A 41 6.833 4.643 -0.834 1.00 0.00 C ATOM 644 CG ASN A 41 7.180 4.554 0.646 1.00 0.00 C ATOM 645 OD1 ASN A 41 8.085 3.812 0.996 1.00 0.00 O ATOM 646 ND2 ASN A 41 6.565 5.260 1.566 1.00 0.00 N ATOM 0 H ASN A 41 5.391 7.368 -0.191 1.00 0.00 H new ATOM 0 HA ASN A 41 6.490 6.002 -2.438 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.264 3.744 -1.072 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.776 4.577 -1.377 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.847 5.180 2.543 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.805 5.888 1.304 1.00 0.00 H new ATOM 653 N ARG A 42 4.219 4.770 -2.819 1.00 0.00 N ATOM 654 CA ARG A 42 2.859 4.651 -3.404 1.00 0.00 C ATOM 655 C ARG A 42 2.537 3.211 -3.842 1.00 0.00 C ATOM 656 O ARG A 42 3.337 2.568 -4.516 1.00 0.00 O ATOM 657 CB ARG A 42 2.729 5.627 -4.599 1.00 0.00 C ATOM 658 CG ARG A 42 1.267 5.957 -4.964 1.00 0.00 C ATOM 659 CD ARG A 42 1.158 6.768 -6.270 1.00 0.00 C ATOM 660 NE ARG A 42 0.003 7.693 -6.262 1.00 0.00 N ATOM 661 CZ ARG A 42 -0.243 8.633 -7.164 1.00 0.00 C ATOM 662 NH1 ARG A 42 0.311 8.630 -8.340 1.00 0.00 N ATOM 663 NH2 ARG A 42 -1.057 9.622 -6.923 1.00 0.00 N ATOM 0 H ARG A 42 4.906 4.196 -3.308 1.00 0.00 H new ATOM 0 HA ARG A 42 2.134 4.913 -2.633 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.254 6.552 -4.362 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.224 5.194 -5.468 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.703 5.030 -5.067 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.810 6.520 -4.150 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.075 7.337 -6.419 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.067 6.084 -7.113 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.663 7.599 -5.495 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.961 7.886 -8.596 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.096 9.371 -9.007 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.526 9.688 -6.019 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.225 10.330 -7.638 1.00 0.00 H new ATOM 677 N LEU A 43 1.370 2.695 -3.449 1.00 0.00 N ATOM 678 CA LEU A 43 0.968 1.288 -3.633 1.00 0.00 C ATOM 679 C LEU A 43 0.567 0.963 -5.084 1.00 0.00 C ATOM 680 O LEU A 43 -0.304 1.631 -5.646 1.00 0.00 O ATOM 681 CB LEU A 43 -0.219 0.968 -2.697 1.00 0.00 C ATOM 682 CG LEU A 43 0.109 0.594 -1.238 1.00 0.00 C ATOM 683 CD1 LEU A 43 0.843 -0.743 -1.152 1.00 0.00 C ATOM 684 CD2 LEU A 43 0.919 1.659 -0.495 1.00 0.00 C ATOM 0 H LEU A 43 0.656 3.254 -2.981 1.00 0.00 H new ATOM 0 HA LEU A 43 1.835 0.673 -3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.879 1.835 -2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.783 0.145 -3.137 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.860 0.517 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.058 -0.974 -0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.218 -1.529 -1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.778 -0.682 -1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.111 1.325 0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.867 1.819 -1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.357 2.593 -0.471 1.00 0.00 H new ATOM 696 N ILE A 44 1.136 -0.115 -5.642 1.00 0.00 N ATOM 697 CA ILE A 44 0.739 -0.686 -6.957 1.00 0.00 C ATOM 698 C ILE A 44 0.100 -2.089 -6.830 1.00 0.00 C ATOM 699 O ILE A 44 0.512 -2.893 -5.996 1.00 0.00 O ATOM 700 CB ILE A 44 1.958 -0.707 -7.911 1.00 0.00 C ATOM 701 CG1 ILE A 44 2.642 0.670 -8.056 1.00 0.00 C ATOM 702 CG2 ILE A 44 1.621 -1.258 -9.311 1.00 0.00 C ATOM 703 CD1 ILE A 44 1.770 1.806 -8.607 1.00 0.00 C ATOM 0 H ILE A 44 1.895 -0.628 -5.195 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.032 -0.041 -7.378 1.00 0.00 H new ATOM 0 HB ILE A 44 2.659 -1.389 -7.431 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.018 0.970 -7.078 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.508 0.555 -8.709 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.517 -1.247 -9.932 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.255 -2.281 -9.221 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.853 -0.637 -9.771 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.358 2.722 -8.663 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.414 1.541 -9.603 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.917 1.963 -7.947 1.00 0.00 H new ATOM 715 N PHE A 45 -0.849 -2.446 -7.709 1.00 0.00 N ATOM 716 CA PHE A 45 -1.359 -3.823 -7.855 1.00 0.00 C ATOM 717 C PHE A 45 -1.384 -4.280 -9.322 1.00 0.00 C ATOM 718 O PHE A 45 -2.028 -3.639 -10.148 1.00 0.00 O ATOM 719 CB PHE A 45 -2.745 -3.942 -7.208 1.00 0.00 C ATOM 720 CG PHE A 45 -3.351 -5.331 -7.281 1.00 0.00 C ATOM 721 CD1 PHE A 45 -2.892 -6.331 -6.400 1.00 0.00 C ATOM 722 CD2 PHE A 45 -4.374 -5.626 -8.201 1.00 0.00 C ATOM 723 CE1 PHE A 45 -3.455 -7.618 -6.437 1.00 0.00 C ATOM 724 CE2 PHE A 45 -4.942 -6.913 -8.232 1.00 0.00 C ATOM 725 CZ PHE A 45 -4.483 -7.909 -7.352 1.00 0.00 C ATOM 0 H PHE A 45 -1.290 -1.782 -8.346 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.672 -4.491 -7.336 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.671 -3.645 -6.162 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.421 -3.237 -7.693 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.105 -6.107 -5.695 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.723 -4.865 -8.883 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.099 -8.383 -5.763 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.732 -7.136 -8.933 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.919 -8.897 -7.379 1.00 0.00 H new ATOM 735 N ALA A 46 -0.651 -5.351 -9.661 1.00 0.00 N ATOM 736 CA ALA A 46 -0.510 -5.951 -11.007 1.00 0.00 C ATOM 737 C ALA A 46 -0.032 -5.027 -12.166 1.00 0.00 C ATOM 738 O ALA A 46 0.234 -5.507 -13.270 1.00 0.00 O ATOM 739 CB ALA A 46 -1.810 -6.694 -11.353 1.00 0.00 C ATOM 0 H ALA A 46 -0.105 -5.857 -8.963 1.00 0.00 H new ATOM 0 HA ALA A 46 0.334 -6.636 -10.927 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.721 -7.142 -12.343 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.989 -7.477 -10.616 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.643 -5.992 -11.346 1.00 0.00 H new ATOM 745 N GLY A 47 0.102 -3.720 -11.924 1.00 0.00 N ATOM 746 CA GLY A 47 0.376 -2.675 -12.918 1.00 0.00 C ATOM 747 C GLY A 47 -0.590 -1.481 -12.843 1.00 0.00 C ATOM 748 O GLY A 47 -0.282 -0.427 -13.394 1.00 0.00 O ATOM 0 H GLY A 47 0.018 -3.341 -10.981 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.396 -2.315 -12.782 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.323 -3.112 -13.915 1.00 0.00 H new ATOM 752 N LYS A 48 -1.722 -1.608 -12.136 1.00 0.00 N ATOM 753 CA LYS A 48 -2.680 -0.526 -11.855 1.00 0.00 C ATOM 754 C LYS A 48 -2.358 0.163 -10.519 1.00 0.00 C ATOM 755 O LYS A 48 -1.838 -0.453 -9.586 1.00 0.00 O ATOM 756 CB LYS A 48 -4.124 -1.091 -11.878 1.00 0.00 C ATOM 757 CG LYS A 48 -5.049 -0.268 -12.795 1.00 0.00 C ATOM 758 CD LYS A 48 -6.480 -0.828 -12.846 1.00 0.00 C ATOM 759 CE LYS A 48 -7.314 -0.070 -13.889 1.00 0.00 C ATOM 760 NZ LYS A 48 -8.723 -0.534 -13.928 1.00 0.00 N ATOM 0 H LYS A 48 -2.007 -2.499 -11.729 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.597 0.235 -12.631 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.103 -2.126 -12.218 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.528 -1.096 -10.866 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.079 0.763 -12.444 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.634 -0.250 -13.803 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.454 -1.889 -13.094 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.947 -0.741 -11.865 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.291 0.996 -13.664 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.864 -0.198 -14.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.247 0.006 -14.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.749 -1.546 -14.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.162 -0.388 -12.997 1.00 0.00 H new ATOM 774 N GLN A 49 -2.696 1.448 -10.411 1.00 0.00 N ATOM 775 CA GLN A 49 -2.696 2.199 -9.143 1.00 0.00 C ATOM 776 C GLN A 49 -4.027 1.996 -8.380 1.00 0.00 C ATOM 777 O GLN A 49 -5.043 1.635 -8.982 1.00 0.00 O ATOM 778 CB GLN A 49 -2.470 3.697 -9.427 1.00 0.00 C ATOM 779 CG GLN A 49 -1.119 3.996 -10.103 1.00 0.00 C ATOM 780 CD GLN A 49 -0.884 5.494 -10.289 1.00 0.00 C ATOM 781 OE1 GLN A 49 -0.129 6.130 -9.563 1.00 0.00 O ATOM 782 NE2 GLN A 49 -1.652 6.149 -11.135 1.00 0.00 N ATOM 0 H GLN A 49 -2.983 2.011 -11.212 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.887 1.823 -8.517 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.275 4.064 -10.064 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.528 4.250 -8.489 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.313 3.576 -9.501 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.083 3.501 -11.074 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.287 5.638 -11.748 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.611 7.167 -11.177 1.00 0.00 H new ATOM 791 N LEU A 50 -4.029 2.257 -7.066 1.00 0.00 N ATOM 792 CA LEU A 50 -5.160 2.016 -6.161 1.00 0.00 C ATOM 793 C LEU A 50 -5.705 3.328 -5.579 1.00 0.00 C ATOM 794 O LEU A 50 -5.189 3.866 -4.594 1.00 0.00 O ATOM 795 CB LEU A 50 -4.746 1.017 -5.063 1.00 0.00 C ATOM 796 CG LEU A 50 -4.321 -0.375 -5.568 1.00 0.00 C ATOM 797 CD1 LEU A 50 -4.017 -1.255 -4.359 1.00 0.00 C ATOM 798 CD2 LEU A 50 -5.416 -1.068 -6.382 1.00 0.00 C ATOM 0 H LEU A 50 -3.219 2.654 -6.589 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.978 1.573 -6.729 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.921 1.447 -4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.580 0.896 -4.371 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.453 -0.237 -6.213 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.714 -2.246 -4.697 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.211 -0.808 -3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.909 -1.341 -3.738 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.061 -2.044 -6.712 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.304 -1.195 -5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.663 -0.459 -7.252 1.00 0.00 H new ATOM 810 N GLU A 51 -6.761 3.850 -6.199 1.00 0.00 N ATOM 811 CA GLU A 51 -7.422 5.082 -5.779 1.00 0.00 C ATOM 812 C GLU A 51 -8.501 4.806 -4.717 1.00 0.00 C ATOM 813 O GLU A 51 -9.130 3.747 -4.669 1.00 0.00 O ATOM 814 CB GLU A 51 -7.935 5.839 -7.015 1.00 0.00 C ATOM 815 CG GLU A 51 -8.178 7.330 -6.707 1.00 0.00 C ATOM 816 CD GLU A 51 -8.705 8.160 -7.889 1.00 0.00 C ATOM 817 OE1 GLU A 51 -9.045 7.587 -8.947 1.00 0.00 O ATOM 818 OE2 GLU A 51 -8.797 9.402 -7.745 1.00 0.00 O ATOM 0 H GLU A 51 -7.188 3.421 -7.020 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.705 5.736 -5.284 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.211 5.747 -7.825 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.862 5.383 -7.363 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.889 7.404 -5.884 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.243 7.771 -6.361 1.00 0.00 H new ATOM 825 N ASP A 52 -8.653 5.755 -3.798 1.00 0.00 N ATOM 826 CA ASP A 52 -9.618 5.739 -2.697 1.00 0.00 C ATOM 827 C ASP A 52 -11.119 5.735 -3.073 1.00 0.00 C ATOM 828 O ASP A 52 -11.483 5.894 -4.233 1.00 0.00 O ATOM 829 CB ASP A 52 -9.206 6.721 -1.579 1.00 0.00 C ATOM 830 CG ASP A 52 -8.377 7.944 -1.998 1.00 0.00 C ATOM 831 OD1 ASP A 52 -7.264 7.764 -2.543 1.00 0.00 O ATOM 832 OD2 ASP A 52 -8.789 9.091 -1.734 1.00 0.00 O ATOM 0 H ASP A 52 -8.080 6.599 -3.799 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.549 4.736 -2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.112 7.077 -1.090 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.638 6.166 -0.832 1.00 0.00 H new ATOM 837 N GLY A 53 -11.989 5.420 -2.107 1.00 0.00 N ATOM 838 CA GLY A 53 -13.433 5.234 -2.312 1.00 0.00 C ATOM 839 C GLY A 53 -13.860 3.864 -2.870 1.00 0.00 C ATOM 840 O GLY A 53 -15.006 3.470 -2.669 1.00 0.00 O ATOM 0 H GLY A 53 -11.703 5.284 -1.137 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.939 5.391 -1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.787 6.009 -2.992 1.00 0.00 H new ATOM 844 N ARG A 54 -12.970 3.105 -3.526 1.00 0.00 N ATOM 845 CA ARG A 54 -13.200 1.705 -3.936 1.00 0.00 C ATOM 846 C ARG A 54 -12.941 0.707 -2.804 1.00 0.00 C ATOM 847 O ARG A 54 -12.443 1.096 -1.749 1.00 0.00 O ATOM 848 CB ARG A 54 -12.368 1.382 -5.193 1.00 0.00 C ATOM 849 CG ARG A 54 -13.011 1.935 -6.471 1.00 0.00 C ATOM 850 CD ARG A 54 -12.772 3.436 -6.731 1.00 0.00 C ATOM 851 NE ARG A 54 -14.002 4.223 -6.995 1.00 0.00 N ATOM 852 CZ ARG A 54 -14.965 3.973 -7.869 1.00 0.00 C ATOM 853 NH1 ARG A 54 -15.000 2.913 -8.627 1.00 0.00 N ATOM 854 NH2 ARG A 54 -15.958 4.798 -8.035 1.00 0.00 N ATOM 0 H ARG A 54 -12.049 3.452 -3.794 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.257 1.599 -4.182 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.367 1.800 -5.082 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.254 0.302 -5.284 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.632 1.370 -7.323 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.085 1.758 -6.424 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.262 3.864 -5.868 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.100 3.541 -7.583 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.121 5.064 -6.431 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.256 2.218 -8.566 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.771 2.779 -9.281 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.005 5.657 -7.486 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.689 4.586 -8.714 1.00 0.00 H new ATOM 868 N THR A 55 -13.223 -0.580 -3.023 1.00 0.00 N ATOM 869 CA THR A 55 -12.806 -1.713 -2.163 1.00 0.00 C ATOM 870 C THR A 55 -11.687 -2.586 -2.733 1.00 0.00 C ATOM 871 O THR A 55 -11.377 -2.511 -3.921 1.00 0.00 O ATOM 872 CB THR A 55 -13.975 -2.563 -1.617 1.00 0.00 C ATOM 873 OG1 THR A 55 -14.260 -3.631 -2.494 1.00 0.00 O ATOM 874 CG2 THR A 55 -15.285 -1.804 -1.399 1.00 0.00 C ATOM 0 H THR A 55 -13.767 -0.883 -3.831 1.00 0.00 H new ATOM 0 HA THR A 55 -12.368 -1.203 -1.305 1.00 0.00 H new ATOM 0 HB THR A 55 -13.622 -2.902 -0.643 1.00 0.00 H new ATOM 0 HG1 THR A 55 -15.001 -4.161 -2.134 1.00 0.00 H new ATOM 0 HG21 THR A 55 -16.042 -2.488 -1.015 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.124 -1.000 -0.681 1.00 0.00 H new ATOM 0 HG23 THR A 55 -15.623 -1.383 -2.346 1.00 0.00 H new ATOM 882 N LEU A 56 -11.090 -3.443 -1.897 1.00 0.00 N ATOM 883 CA LEU A 56 -10.161 -4.499 -2.330 1.00 0.00 C ATOM 884 C LEU A 56 -10.788 -5.429 -3.386 1.00 0.00 C ATOM 885 O LEU A 56 -10.201 -5.683 -4.437 1.00 0.00 O ATOM 886 CB LEU A 56 -9.799 -5.341 -1.096 1.00 0.00 C ATOM 887 CG LEU A 56 -8.902 -4.636 -0.062 1.00 0.00 C ATOM 888 CD1 LEU A 56 -8.901 -5.431 1.240 1.00 0.00 C ATOM 889 CD2 LEU A 56 -7.461 -4.528 -0.567 1.00 0.00 C ATOM 0 H LEU A 56 -11.239 -3.424 -0.888 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.287 -4.027 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.721 -5.650 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.297 -6.249 -1.430 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.299 -3.634 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.266 -4.931 1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.918 -5.496 1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.519 -6.435 1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.849 -4.026 0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.064 -5.526 -0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.442 -3.954 -1.494 1.00 0.00 H new ATOM 901 N SER A 57 -11.998 -5.911 -3.090 1.00 0.00 N ATOM 902 CA SER A 57 -12.761 -6.850 -3.922 1.00 0.00 C ATOM 903 C SER A 57 -13.110 -6.248 -5.294 1.00 0.00 C ATOM 904 O SER A 57 -13.020 -6.931 -6.313 1.00 0.00 O ATOM 905 CB SER A 57 -14.012 -7.241 -3.119 1.00 0.00 C ATOM 906 OG SER A 57 -14.765 -8.280 -3.702 1.00 0.00 O ATOM 0 H SER A 57 -12.491 -5.651 -2.236 1.00 0.00 H new ATOM 0 HA SER A 57 -12.167 -7.736 -4.147 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.708 -7.544 -2.117 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.649 -6.363 -3.007 1.00 0.00 H new ATOM 0 HG SER A 57 -15.542 -8.477 -3.138 1.00 0.00 H new ATOM 912 N ASP A 58 -13.388 -4.938 -5.348 1.00 0.00 N ATOM 913 CA ASP A 58 -13.697 -4.221 -6.605 1.00 0.00 C ATOM 914 C ASP A 58 -12.477 -4.185 -7.555 1.00 0.00 C ATOM 915 O ASP A 58 -12.620 -4.341 -8.767 1.00 0.00 O ATOM 916 CB ASP A 58 -14.185 -2.798 -6.270 1.00 0.00 C ATOM 917 CG ASP A 58 -14.697 -1.997 -7.482 1.00 0.00 C ATOM 918 OD1 ASP A 58 -15.376 -2.594 -8.353 1.00 0.00 O ATOM 919 OD2 ASP A 58 -14.468 -0.763 -7.487 1.00 0.00 O ATOM 0 H ASP A 58 -13.406 -4.339 -4.522 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.487 -4.757 -7.130 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.984 -2.866 -5.532 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.367 -2.247 -5.805 1.00 0.00 H new ATOM 924 N TYR A 59 -11.260 -4.100 -7.000 1.00 0.00 N ATOM 925 CA TYR A 59 -9.989 -4.280 -7.709 1.00 0.00 C ATOM 926 C TYR A 59 -9.557 -5.719 -8.072 1.00 0.00 C ATOM 927 O TYR A 59 -8.477 -5.904 -8.642 1.00 0.00 O ATOM 928 CB TYR A 59 -8.874 -3.446 -7.045 1.00 0.00 C ATOM 929 CG TYR A 59 -8.783 -1.982 -7.439 1.00 0.00 C ATOM 930 CD1 TYR A 59 -8.068 -1.635 -8.603 1.00 0.00 C ATOM 931 CD2 TYR A 59 -9.287 -0.970 -6.597 1.00 0.00 C ATOM 932 CE1 TYR A 59 -7.820 -0.282 -8.905 1.00 0.00 C ATOM 933 CE2 TYR A 59 -9.041 0.387 -6.900 1.00 0.00 C ATOM 934 CZ TYR A 59 -8.295 0.731 -8.046 1.00 0.00 C ATOM 935 OH TYR A 59 -7.969 2.025 -8.303 1.00 0.00 O ATOM 0 H TYR A 59 -11.131 -3.897 -6.009 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.188 -3.887 -8.706 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.009 -3.499 -5.965 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.918 -3.918 -7.270 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.709 -2.409 -9.265 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.861 -1.232 -5.721 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.266 -0.020 -9.794 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.425 1.162 -6.253 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.026 2.079 -8.562 1.00 0.00 H new ATOM 945 N ASN A 60 -10.374 -6.737 -7.759 1.00 0.00 N ATOM 946 CA ASN A 60 -10.045 -8.175 -7.840 1.00 0.00 C ATOM 947 C ASN A 60 -8.865 -8.593 -6.921 1.00 0.00 C ATOM 948 O ASN A 60 -8.199 -9.599 -7.168 1.00 0.00 O ATOM 949 CB ASN A 60 -9.924 -8.607 -9.325 1.00 0.00 C ATOM 950 CG ASN A 60 -9.762 -10.107 -9.571 1.00 0.00 C ATOM 951 OD1 ASN A 60 -10.523 -10.951 -9.114 1.00 0.00 O ATOM 952 ND2 ASN A 60 -8.810 -10.489 -10.393 1.00 0.00 N ATOM 0 H ASN A 60 -11.325 -6.577 -7.427 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.873 -8.748 -7.422 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.812 -8.265 -9.857 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.070 -8.092 -9.765 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.715 -11.474 -10.640 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.167 -9.800 -10.784 1.00 0.00 H new ATOM 959 N ILE A 61 -8.597 -7.841 -5.846 1.00 0.00 N ATOM 960 CA ILE A 61 -7.585 -8.177 -4.826 1.00 0.00 C ATOM 961 C ILE A 61 -8.151 -9.266 -3.897 1.00 0.00 C ATOM 962 O ILE A 61 -9.327 -9.229 -3.537 1.00 0.00 O ATOM 963 CB ILE A 61 -7.116 -6.917 -4.050 1.00 0.00 C ATOM 964 CG1 ILE A 61 -6.806 -5.743 -5.012 1.00 0.00 C ATOM 965 CG2 ILE A 61 -5.890 -7.249 -3.176 1.00 0.00 C ATOM 966 CD1 ILE A 61 -6.352 -4.434 -4.357 1.00 0.00 C ATOM 0 H ILE A 61 -9.084 -6.966 -5.654 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.694 -8.571 -5.315 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.931 -6.601 -3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.031 -6.065 -5.707 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.699 -5.539 -5.603 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.574 -6.355 -2.639 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.153 -8.028 -2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.075 -7.599 -3.810 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.165 -3.687 -5.128 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.131 -4.074 -3.685 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.437 -4.609 -3.791 1.00 0.00 H new ATOM 978 N GLN A 62 -7.332 -10.250 -3.517 1.00 0.00 N ATOM 979 CA GLN A 62 -7.760 -11.465 -2.803 1.00 0.00 C ATOM 980 C GLN A 62 -7.010 -11.671 -1.466 1.00 0.00 C ATOM 981 O GLN A 62 -6.037 -10.976 -1.173 1.00 0.00 O ATOM 982 CB GLN A 62 -7.618 -12.673 -3.761 1.00 0.00 C ATOM 983 CG GLN A 62 -6.178 -13.007 -4.221 1.00 0.00 C ATOM 984 CD GLN A 62 -5.711 -12.474 -5.583 1.00 0.00 C ATOM 985 OE1 GLN A 62 -4.565 -12.666 -5.976 1.00 0.00 O ATOM 986 NE2 GLN A 62 -6.501 -11.778 -6.366 1.00 0.00 N ATOM 0 H GLN A 62 -6.329 -10.228 -3.699 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.806 -11.358 -2.515 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.035 -13.552 -3.270 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.226 -12.484 -4.645 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.491 -12.632 -3.463 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.076 -14.092 -4.235 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.463 -11.591 -6.084 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.153 -11.424 -7.257 1.00 0.00 H new ATOM 995 N LYS A 63 -7.419 -12.665 -0.653 1.00 0.00 N ATOM 996 CA LYS A 63 -6.546 -13.222 0.407 1.00 0.00 C ATOM 997 C LYS A 63 -5.240 -13.698 -0.253 1.00 0.00 C ATOM 998 O LYS A 63 -5.250 -14.088 -1.418 1.00 0.00 O ATOM 999 CB LYS A 63 -7.257 -14.365 1.177 1.00 0.00 C ATOM 1000 CG LYS A 63 -6.979 -15.753 0.563 1.00 0.00 C ATOM 1001 CD LYS A 63 -7.841 -16.904 1.079 1.00 0.00 C ATOM 1002 CE LYS A 63 -7.247 -18.193 0.489 1.00 0.00 C ATOM 1003 NZ LYS A 63 -8.165 -19.346 0.591 1.00 0.00 N ATOM 0 H LYS A 63 -8.341 -13.098 -0.707 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.319 -12.455 1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.928 -14.358 2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.332 -14.182 1.182 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.112 -15.683 -0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.933 -16.003 0.740 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.833 -16.936 2.168 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.879 -16.779 0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.996 -18.026 -0.559 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.317 -18.428 1.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.713 -20.187 0.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.385 -19.527 1.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.044 -19.137 0.075 1.00 0.00 H new ATOM 1017 N GLU A 64 -4.131 -13.691 0.475 1.00 0.00 N ATOM 1018 CA GLU A 64 -2.817 -14.096 -0.059 1.00 0.00 C ATOM 1019 C GLU A 64 -2.335 -13.224 -1.258 1.00 0.00 C ATOM 1020 O GLU A 64 -1.388 -13.600 -1.950 1.00 0.00 O ATOM 1021 CB GLU A 64 -2.780 -15.628 -0.353 1.00 0.00 C ATOM 1022 CG GLU A 64 -3.019 -16.551 0.865 1.00 0.00 C ATOM 1023 CD GLU A 64 -3.550 -17.974 0.541 1.00 0.00 C ATOM 1024 OE1 GLU A 64 -4.339 -18.169 -0.418 1.00 0.00 O ATOM 1025 OE2 GLU A 64 -3.226 -18.904 1.319 1.00 0.00 O ATOM 0 H GLU A 64 -4.107 -13.406 1.454 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.084 -13.902 0.724 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.533 -15.852 -1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.810 -15.873 -0.786 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.081 -16.649 1.412 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.728 -16.063 1.533 1.00 0.00 H new ATOM 1032 N SER A 65 -2.958 -12.062 -1.536 1.00 0.00 N ATOM 1033 CA SER A 65 -2.550 -11.168 -2.638 1.00 0.00 C ATOM 1034 C SER A 65 -1.156 -10.573 -2.453 1.00 0.00 C ATOM 1035 O SER A 65 -0.759 -10.231 -1.340 1.00 0.00 O ATOM 1036 CB SER A 65 -3.520 -9.998 -2.864 1.00 0.00 C ATOM 1037 OG SER A 65 -4.359 -10.245 -3.973 1.00 0.00 O ATOM 0 H SER A 65 -3.757 -11.717 -1.004 1.00 0.00 H new ATOM 0 HA SER A 65 -2.556 -11.826 -3.507 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.126 -9.846 -1.971 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.956 -9.079 -3.027 1.00 0.00 H new ATOM 0 HG SER A 65 -3.937 -9.897 -4.786 1.00 0.00 H new ATOM 1043 N THR A 66 -0.451 -10.367 -3.569 1.00 0.00 N ATOM 1044 CA THR A 66 0.892 -9.751 -3.627 1.00 0.00 C ATOM 1045 C THR A 66 0.938 -8.344 -4.234 1.00 0.00 C ATOM 1046 O THR A 66 1.261 -8.159 -5.412 1.00 0.00 O ATOM 1047 CB THR A 66 1.959 -10.707 -4.196 1.00 0.00 C ATOM 1048 OG1 THR A 66 1.721 -12.041 -3.785 1.00 0.00 O ATOM 1049 CG2 THR A 66 3.377 -10.335 -3.762 1.00 0.00 C ATOM 0 H THR A 66 -0.804 -10.630 -4.489 1.00 0.00 H new ATOM 0 HA THR A 66 1.159 -9.580 -2.584 1.00 0.00 H new ATOM 0 HB THR A 66 1.882 -10.617 -5.280 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.411 -12.627 -4.161 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.086 -11.042 -4.192 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.612 -9.329 -4.109 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.445 -10.369 -2.675 1.00 0.00 H new ATOM 1057 N LEU A 67 0.602 -7.328 -3.433 1.00 0.00 N ATOM 1058 CA LEU A 67 0.758 -5.918 -3.809 1.00 0.00 C ATOM 1059 C LEU A 67 2.235 -5.588 -4.056 1.00 0.00 C ATOM 1060 O LEU A 67 3.135 -6.181 -3.464 1.00 0.00 O ATOM 1061 CB LEU A 67 0.199 -4.994 -2.711 1.00 0.00 C ATOM 1062 CG LEU A 67 -1.332 -5.056 -2.579 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -1.778 -4.944 -1.124 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -1.955 -3.901 -3.349 1.00 0.00 C ATOM 0 H LEU A 67 0.212 -7.461 -2.500 1.00 0.00 H new ATOM 0 HA LEU A 67 0.196 -5.752 -4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.649 -5.264 -1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.496 -3.967 -2.925 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.656 -6.018 -2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.866 -4.992 -1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.351 -5.765 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.437 -3.995 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.040 -3.945 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.594 -2.956 -2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.678 -3.974 -4.401 1.00 0.00 H new ATOM 1076 N HIS A 68 2.485 -4.603 -4.905 1.00 0.00 N ATOM 1077 CA HIS A 68 3.790 -3.995 -5.102 1.00 0.00 C ATOM 1078 C HIS A 68 3.791 -2.597 -4.580 1.00 0.00 C ATOM 1079 O HIS A 68 2.767 -1.982 -4.273 1.00 0.00 O ATOM 1080 CB HIS A 68 4.217 -4.035 -6.573 1.00 0.00 C ATOM 1081 CG HIS A 68 4.468 -5.416 -7.138 1.00 0.00 C ATOM 1082 ND1 HIS A 68 3.669 -6.538 -7.031 1.00 0.00 N ATOM 1083 CD2 HIS A 68 5.511 -5.757 -7.951 1.00 0.00 C ATOM 1084 CE1 HIS A 68 4.248 -7.525 -7.738 1.00 0.00 C ATOM 1085 NE2 HIS A 68 5.370 -7.095 -8.328 1.00 0.00 N ATOM 0 H HIS A 68 1.761 -4.192 -5.494 1.00 0.00 H new ATOM 0 HA HIS A 68 4.521 -4.577 -4.541 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.445 -3.551 -7.171 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.126 -3.444 -6.686 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.313 -5.100 -8.253 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.860 -8.530 -7.819 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.994 -7.633 -8.929 1.00 0.00 H new ATOM 1093 N LEU A 69 5.009 -2.121 -4.478 1.00 0.00 N ATOM 1094 CA LEU A 69 5.247 -0.786 -4.104 1.00 0.00 C ATOM 1095 C LEU A 69 6.078 -0.011 -5.111 1.00 0.00 C ATOM 1096 O LEU A 69 6.935 -0.574 -5.792 1.00 0.00 O ATOM 1097 CB LEU A 69 5.918 -0.736 -2.746 1.00 0.00 C ATOM 1098 CG LEU A 69 6.155 0.577 -1.987 1.00 0.00 C ATOM 1099 CD1 LEU A 69 4.825 1.249 -1.683 1.00 0.00 C ATOM 1100 CD2 LEU A 69 6.876 0.301 -0.667 1.00 0.00 C ATOM 0 H LEU A 69 5.852 -2.667 -4.657 1.00 0.00 H new ATOM 0 HA LEU A 69 4.270 -0.303 -4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.332 -1.375 -2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.894 -1.208 -2.864 1.00 0.00 H new ATOM 0 HG LEU A 69 6.767 1.229 -2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.002 2.180 -1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.304 1.463 -2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.214 0.586 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.038 1.240 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.267 -0.362 -0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.837 -0.172 -0.869 1.00 0.00 H new ATOM 1112 N VAL A 70 5.920 1.307 -5.059 1.00 0.00 N ATOM 1113 CA VAL A 70 6.995 2.218 -5.414 1.00 0.00 C ATOM 1114 C VAL A 70 7.310 3.282 -4.406 1.00 0.00 C ATOM 1115 O VAL A 70 6.561 3.511 -3.476 1.00 0.00 O ATOM 1116 CB VAL A 70 6.762 3.017 -6.725 1.00 0.00 C ATOM 1117 CG1 VAL A 70 7.961 2.786 -7.631 1.00 0.00 C ATOM 1118 CG2 VAL A 70 5.449 2.738 -7.455 1.00 0.00 C ATOM 0 H VAL A 70 5.055 1.766 -4.774 1.00 0.00 H new ATOM 0 HA VAL A 70 7.811 1.501 -5.501 1.00 0.00 H new ATOM 0 HB VAL A 70 6.664 4.065 -6.442 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.825 3.336 -8.562 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.866 3.134 -7.133 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.053 1.722 -7.849 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.395 3.351 -8.355 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.403 1.684 -7.731 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.611 2.979 -6.801 1.00 0.00 H new ATOM 1128 N LEU A 71 8.351 4.042 -4.716 1.00 0.00 N ATOM 1129 CA LEU A 71 8.440 5.434 -4.344 1.00 0.00 C ATOM 1130 C LEU A 71 7.293 6.383 -4.710 1.00 0.00 C ATOM 1131 O LEU A 71 6.359 6.076 -5.444 1.00 0.00 O ATOM 1132 CB LEU A 71 9.718 6.059 -4.923 1.00 0.00 C ATOM 1133 CG LEU A 71 10.867 6.514 -3.984 1.00 0.00 C ATOM 1134 CD1 LEU A 71 10.793 7.992 -3.613 1.00 0.00 C ATOM 1135 CD2 LEU A 71 11.054 5.694 -2.707 1.00 0.00 C ATOM 0 H LEU A 71 9.159 3.701 -5.236 1.00 0.00 H new ATOM 0 HA LEU A 71 8.412 5.357 -3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.141 5.338 -5.623 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.415 6.929 -5.506 1.00 0.00 H new ATOM 0 HG LEU A 71 11.743 6.331 -4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.625 8.244 -2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.849 8.597 -4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.852 8.192 -3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.884 6.103 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.142 5.736 -2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.270 4.658 -2.968 1.00 0.00 H new ATOM 1147 N ARG A 72 7.442 7.615 -4.221 1.00 0.00 N ATOM 1148 CA ARG A 72 6.835 8.787 -4.825 1.00 0.00 C ATOM 1149 C ARG A 72 7.858 9.693 -5.530 1.00 0.00 C ATOM 1150 O ARG A 72 8.807 10.148 -4.904 1.00 0.00 O ATOM 1151 CB ARG A 72 6.053 9.563 -3.744 1.00 0.00 C ATOM 1152 CG ARG A 72 5.319 10.778 -4.332 1.00 0.00 C ATOM 1153 CD ARG A 72 4.531 11.558 -3.275 1.00 0.00 C ATOM 1154 NE ARG A 72 3.675 12.575 -3.911 1.00 0.00 N ATOM 1155 CZ ARG A 72 2.653 13.204 -3.352 1.00 0.00 C ATOM 1156 NH1 ARG A 72 2.389 13.143 -2.084 1.00 0.00 N ATOM 1157 NH2 ARG A 72 1.854 13.922 -4.082 1.00 0.00 N ATOM 0 H ARG A 72 7.993 7.822 -3.388 1.00 0.00 H new ATOM 0 HA ARG A 72 6.152 8.450 -5.604 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.332 8.898 -3.269 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.741 9.895 -2.966 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.043 11.442 -4.803 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.638 10.443 -5.114 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.917 10.872 -2.692 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.220 12.038 -2.581 1.00 0.00 H new ATOM 0 HE ARG A 72 3.891 12.818 -4.878 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.983 12.590 -1.466 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.588 13.648 -1.705 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.014 14.001 -5.086 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.067 14.406 -3.651 1.00 0.00 H new ATOM 1171 N LEU A 73 7.641 9.994 -6.814 1.00 0.00 N ATOM 1172 CA LEU A 73 8.437 10.976 -7.572 1.00 0.00 C ATOM 1173 C LEU A 73 7.908 12.420 -7.423 1.00 0.00 C ATOM 1174 O LEU A 73 6.718 12.635 -7.180 1.00 0.00 O ATOM 1175 CB LEU A 73 8.494 10.565 -9.061 1.00 0.00 C ATOM 1176 CG LEU A 73 9.254 9.255 -9.347 1.00 0.00 C ATOM 1177 CD1 LEU A 73 9.108 8.884 -10.824 1.00 0.00 C ATOM 1178 CD2 LEU A 73 10.749 9.370 -9.039 1.00 0.00 C ATOM 0 H LEU A 73 6.901 9.560 -7.366 1.00 0.00 H new ATOM 0 HA LEU A 73 9.443 10.973 -7.152 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.475 10.465 -9.434 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.963 11.370 -9.627 1.00 0.00 H new ATOM 0 HG LEU A 73 8.820 8.492 -8.700 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.647 7.957 -11.021 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.053 8.748 -11.062 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.520 9.682 -11.442 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.239 8.421 -9.257 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.188 10.155 -9.655 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.886 9.616 -7.986 1.00 0.00 H new ATOM 1190 N ARG A 74 8.803 13.403 -7.608 1.00 0.00 N ATOM 1191 CA ARG A 74 8.547 14.855 -7.612 1.00 0.00 C ATOM 1192 C ARG A 74 9.600 15.562 -8.477 1.00 0.00 C ATOM 1193 O ARG A 74 10.792 15.345 -8.272 1.00 0.00 O ATOM 1194 CB ARG A 74 8.608 15.398 -6.167 1.00 0.00 C ATOM 1195 CG ARG A 74 7.252 15.675 -5.505 1.00 0.00 C ATOM 1196 CD ARG A 74 6.512 16.856 -6.155 1.00 0.00 C ATOM 1197 NE ARG A 74 5.723 17.613 -5.165 1.00 0.00 N ATOM 1198 CZ ARG A 74 5.036 18.722 -5.381 1.00 0.00 C ATOM 1199 NH1 ARG A 74 4.897 19.250 -6.559 1.00 0.00 N ATOM 1200 NH2 ARG A 74 4.494 19.346 -4.383 1.00 0.00 N ATOM 0 H ARG A 74 9.788 13.193 -7.769 1.00 0.00 H new ATOM 0 HA ARG A 74 7.556 15.045 -8.025 1.00 0.00 H new ATOM 0 HB2 ARG A 74 9.153 14.682 -5.552 1.00 0.00 H new ATOM 0 HB3 ARG A 74 9.186 16.322 -6.169 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.631 14.782 -5.568 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.404 15.884 -4.446 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.233 17.520 -6.631 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.853 16.486 -6.940 1.00 0.00 H new ATOM 0 HE ARG A 74 5.706 17.242 -4.215 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.328 18.807 -7.370 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.357 20.107 -6.673 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.598 18.981 -3.436 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.963 20.202 -4.544 1.00 0.00 H new ATOM 1214 N GLY A 75 9.177 16.427 -9.399 1.00 0.00 N ATOM 1215 CA GLY A 75 10.070 17.037 -10.393 1.00 0.00 C ATOM 1216 C GLY A 75 10.454 16.085 -11.536 1.00 0.00 C ATOM 1217 O GLY A 75 9.730 15.130 -11.813 1.00 0.00 O ATOM 0 H GLY A 75 8.205 16.727 -9.481 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.586 17.919 -10.812 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.977 17.378 -9.894 1.00 0.00 H new ATOM 1221 N GLY A 76 11.585 16.367 -12.200 1.00 0.00 N ATOM 1222 CA GLY A 76 12.116 15.609 -13.346 1.00 0.00 C ATOM 1223 C GLY A 76 13.525 16.024 -13.737 1.00 0.00 C ATOM 1224 O GLY A 76 14.452 15.843 -12.916 1.00 0.00 O ATOM 1225 OXT GLY A 76 13.709 16.544 -14.854 1.00 0.00 O ATOM 0 H GLY A 76 12.177 17.157 -11.946 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.111 14.546 -13.104 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.454 15.744 -14.201 1.00 0.00 H new TER 1229 GLY A 76