USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 522 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 31 GLN : amide:sc= -7.39! C(o=-9.7!,f=-9.8!) USER MOD Set 1.2: A 41 GLN : amide:sc= -2.28! C(o=-9.7!,f=-15!) USER MOD Single : A 1 MET CE :methyl 168:sc= -1.21 (180deg=-1.39) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.0152 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -99:sc= -4.45! USER MOD Single : A 9 THR OG1 : rot -0:sc= 0.358! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00354 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.09 X(o=-0.09,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -2.54! K(o=-2.5!,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.224 K(o=-0.22,f=-1.2!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.492 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -4.54! USER MOD Single : A 60 ASN : amide:sc= -2.03! C(o=-2!,f=-1.2!) USER MOD Single : A 62 GLN : amide:sc= -0.348 K(o=-0.35,f=-2.8!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -72:sc= -0.702 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.79 USER MOD Single : A 68 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.730 -8.889 10.566 1.00 0.00 N ATOM 2 CA MET A 1 0.140 -8.178 9.645 1.00 0.00 C ATOM 3 C MET A 1 0.080 -6.668 9.889 1.00 0.00 C ATOM 4 O MET A 1 -0.983 -6.126 10.184 1.00 0.00 O ATOM 5 CB MET A 1 -0.283 -8.480 8.207 1.00 0.00 C ATOM 6 CG MET A 1 0.821 -8.096 7.218 1.00 0.00 C ATOM 7 SD MET A 1 0.627 -9.013 5.700 1.00 0.00 S ATOM 8 CE MET A 1 1.502 -10.509 6.128 1.00 0.00 C ATOM 0 H1 MET A 1 -1.170 -9.694 10.077 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.172 -9.236 11.372 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.472 -8.246 10.909 1.00 0.00 H new ATOM 0 HA MET A 1 1.164 -8.513 9.810 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.513 -9.541 8.107 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.195 -7.932 7.970 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.781 -7.026 7.014 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.799 -8.301 7.654 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.301 -11.275 5.379 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.573 -10.307 6.163 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.167 -10.860 7.104 1.00 0.00 H new ATOM 16 N GLN A 2 1.236 -6.033 9.757 1.00 0.00 N ATOM 17 CA GLN A 2 1.328 -4.597 9.960 1.00 0.00 C ATOM 18 C GLN A 2 2.264 -3.974 8.924 1.00 0.00 C ATOM 19 O GLN A 2 3.481 -4.134 9.006 1.00 0.00 O ATOM 20 CB GLN A 2 1.789 -4.273 11.382 1.00 0.00 C ATOM 21 CG GLN A 2 0.866 -4.917 12.418 1.00 0.00 C ATOM 22 CD GLN A 2 1.405 -4.710 13.837 1.00 0.00 C ATOM 23 OE1 GLN A 2 2.041 -5.574 14.418 1.00 0.00 O ATOM 24 NE2 GLN A 2 1.116 -3.521 14.357 1.00 0.00 N ATOM 0 H GLN A 2 2.116 -6.487 9.512 1.00 0.00 H new ATOM 0 HA GLN A 2 0.335 -4.166 9.829 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.809 -4.629 11.527 1.00 0.00 H new ATOM 0 HB3 GLN A 2 1.805 -3.193 11.526 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.132 -4.487 12.338 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.771 -5.983 12.213 1.00 0.00 H new ATOM 0 HE21 GLN A 2 0.579 -2.844 13.815 1.00 0.00 H new ATOM 0 HE22 GLN A 2 1.431 -3.286 15.298 1.00 0.00 H new ATOM 31 N ILE A 3 1.663 -3.277 7.972 1.00 0.00 N ATOM 32 CA ILE A 3 2.427 -2.628 6.921 1.00 0.00 C ATOM 33 C ILE A 3 2.529 -1.131 7.219 1.00 0.00 C ATOM 34 O ILE A 3 1.858 -0.626 8.119 1.00 0.00 O ATOM 35 CB ILE A 3 1.828 -2.943 5.549 1.00 0.00 C ATOM 36 CG1 ILE A 3 0.588 -2.085 5.284 1.00 0.00 C ATOM 37 CG2 ILE A 3 1.532 -4.437 5.409 1.00 0.00 C ATOM 38 CD1 ILE A 3 0.140 -2.208 3.826 1.00 0.00 C ATOM 0 H ILE A 3 0.653 -3.147 7.906 1.00 0.00 H new ATOM 0 HA ILE A 3 3.445 -3.018 6.895 1.00 0.00 H new ATOM 0 HB ILE A 3 2.565 -2.689 4.787 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.222 -2.395 5.945 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.806 -1.042 5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.107 -4.633 4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.456 -5.003 5.525 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.822 -4.741 6.178 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.742 -1.589 3.663 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.943 -1.874 3.169 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.100 -3.248 3.606 1.00 0.00 H new ATOM 49 N PHE A 4 3.373 -0.462 6.447 1.00 0.00 N ATOM 50 CA PHE A 4 3.571 0.967 6.617 1.00 0.00 C ATOM 51 C PHE A 4 3.545 1.689 5.268 1.00 0.00 C ATOM 52 O PHE A 4 3.246 1.082 4.241 1.00 0.00 O ATOM 53 CB PHE A 4 4.948 1.155 7.256 1.00 0.00 C ATOM 54 CG PHE A 4 5.177 0.303 8.506 1.00 0.00 C ATOM 55 CD1 PHE A 4 4.662 0.697 9.701 1.00 0.00 C ATOM 56 CD2 PHE A 4 5.894 -0.850 8.422 1.00 0.00 C ATOM 57 CE1 PHE A 4 4.874 -0.095 10.861 1.00 0.00 C ATOM 58 CE2 PHE A 4 6.106 -1.642 9.581 1.00 0.00 C ATOM 59 CZ PHE A 4 5.590 -1.247 10.776 1.00 0.00 C ATOM 0 H PHE A 4 3.928 -0.884 5.702 1.00 0.00 H new ATOM 0 HA PHE A 4 2.775 1.381 7.236 1.00 0.00 H new ATOM 0 HB2 PHE A 4 5.715 0.914 6.520 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.075 2.206 7.517 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.092 1.612 9.768 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.302 -1.163 7.473 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.466 0.218 11.811 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.676 -2.557 9.514 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.749 -1.849 11.658 1.00 0.00 H new ATOM 68 N VAL A 5 3.863 2.975 5.314 1.00 0.00 N ATOM 69 CA VAL A 5 3.880 3.785 4.109 1.00 0.00 C ATOM 70 C VAL A 5 4.714 5.044 4.357 1.00 0.00 C ATOM 71 O VAL A 5 4.753 5.556 5.474 1.00 0.00 O ATOM 72 CB VAL A 5 2.449 4.094 3.666 1.00 0.00 C ATOM 73 CG1 VAL A 5 1.625 4.659 4.826 1.00 0.00 C ATOM 74 CG2 VAL A 5 2.438 5.049 2.470 1.00 0.00 C ATOM 0 H VAL A 5 4.111 3.475 6.168 1.00 0.00 H new ATOM 0 HA VAL A 5 4.349 3.240 3.290 1.00 0.00 H new ATOM 0 HB VAL A 5 1.987 3.158 3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.612 4.870 4.484 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.590 3.931 5.636 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.086 5.579 5.185 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.408 5.252 2.176 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.927 5.983 2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.971 4.593 1.635 1.00 0.00 H new ATOM 84 N LYS A 6 5.360 5.505 3.297 1.00 0.00 N ATOM 85 CA LYS A 6 6.190 6.694 3.385 1.00 0.00 C ATOM 86 C LYS A 6 5.679 7.744 2.397 1.00 0.00 C ATOM 87 O LYS A 6 5.669 7.512 1.189 1.00 0.00 O ATOM 88 CB LYS A 6 7.665 6.334 3.191 1.00 0.00 C ATOM 89 CG LYS A 6 8.336 6.030 4.532 1.00 0.00 C ATOM 90 CD LYS A 6 9.828 6.367 4.486 1.00 0.00 C ATOM 91 CE LYS A 6 10.566 5.755 5.678 1.00 0.00 C ATOM 92 NZ LYS A 6 11.710 6.604 6.073 1.00 0.00 N ATOM 0 H LYS A 6 5.326 5.076 2.372 1.00 0.00 H new ATOM 0 HA LYS A 6 6.120 7.133 4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.748 5.468 2.534 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.183 7.158 2.700 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.854 6.605 5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.205 4.976 4.778 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.260 5.995 3.557 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.960 7.449 4.489 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.881 5.644 6.519 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.919 4.756 5.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.199 6.173 6.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.371 6.689 5.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.366 7.549 6.339 1.00 0.00 H new ATOM 102 N THR A 7 5.266 8.876 2.947 1.00 0.00 N ATOM 103 CA THR A 7 4.754 9.962 2.129 1.00 0.00 C ATOM 104 C THR A 7 5.897 10.874 1.676 1.00 0.00 C ATOM 105 O THR A 7 7.068 10.520 1.812 1.00 0.00 O ATOM 106 CB THR A 7 3.677 10.693 2.933 1.00 0.00 C ATOM 107 OG1 THR A 7 4.400 11.670 3.676 1.00 0.00 O ATOM 108 CG2 THR A 7 3.043 9.805 4.005 1.00 0.00 C ATOM 0 H THR A 7 5.275 9.065 3.949 1.00 0.00 H new ATOM 0 HA THR A 7 4.298 9.585 1.214 1.00 0.00 H new ATOM 0 HB THR A 7 2.903 11.055 2.256 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.546 11.345 4.589 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.286 10.372 4.546 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.579 8.939 3.533 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.812 9.470 4.701 1.00 0.00 H new ATOM 116 N LEU A 8 5.516 12.027 1.147 1.00 0.00 N ATOM 117 CA LEU A 8 6.496 12.992 0.674 1.00 0.00 C ATOM 118 C LEU A 8 7.049 13.777 1.865 1.00 0.00 C ATOM 119 O LEU A 8 8.180 14.258 1.824 1.00 0.00 O ATOM 120 CB LEU A 8 5.890 13.876 -0.418 1.00 0.00 C ATOM 121 CG LEU A 8 5.374 13.148 -1.661 1.00 0.00 C ATOM 122 CD1 LEU A 8 4.612 14.106 -2.580 1.00 0.00 C ATOM 123 CD2 LEU A 8 6.514 12.437 -2.393 1.00 0.00 C ATOM 0 H LEU A 8 4.544 12.315 1.035 1.00 0.00 H new ATOM 0 HA LEU A 8 7.340 12.483 0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.065 14.441 0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.643 14.600 -0.731 1.00 0.00 H new ATOM 0 HG LEU A 8 4.670 12.381 -1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.256 13.564 -3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.762 14.526 -2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.275 14.911 -2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.120 11.928 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.261 13.169 -2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.975 11.707 -1.727 1.00 0.00 H new ATOM 134 N THR A 9 6.226 13.881 2.897 1.00 0.00 N ATOM 135 CA THR A 9 6.620 14.600 4.098 1.00 0.00 C ATOM 136 C THR A 9 7.527 13.728 4.968 1.00 0.00 C ATOM 137 O THR A 9 8.168 14.224 5.893 1.00 0.00 O ATOM 138 CB THR A 9 5.347 15.055 4.815 1.00 0.00 C ATOM 139 OG1 THR A 9 5.795 15.431 6.113 1.00 0.00 O ATOM 140 CG2 THR A 9 4.376 13.901 5.076 1.00 0.00 C ATOM 0 H THR A 9 5.289 13.480 2.928 1.00 0.00 H new ATOM 0 HA THR A 9 7.208 15.485 3.854 1.00 0.00 H new ATOM 0 HB THR A 9 4.849 15.820 4.219 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.763 15.292 6.178 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.490 14.279 5.587 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.083 13.450 4.128 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.862 13.151 5.700 1.00 0.00 H new ATOM 148 N GLY A 10 7.553 12.445 4.640 1.00 0.00 N ATOM 149 CA GLY A 10 8.373 11.500 5.380 1.00 0.00 C ATOM 150 C GLY A 10 7.682 11.075 6.678 1.00 0.00 C ATOM 151 O GLY A 10 8.263 11.179 7.756 1.00 0.00 O ATOM 0 H GLY A 10 7.020 12.037 3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.569 10.623 4.764 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.338 11.951 5.608 1.00 0.00 H new ATOM 155 N LYS A 11 6.452 10.603 6.529 1.00 0.00 N ATOM 156 CA LYS A 11 5.677 10.162 7.676 1.00 0.00 C ATOM 157 C LYS A 11 5.361 8.672 7.528 1.00 0.00 C ATOM 158 O LYS A 11 4.763 8.255 6.538 1.00 0.00 O ATOM 159 CB LYS A 11 4.436 11.039 7.853 1.00 0.00 C ATOM 160 CG LYS A 11 4.565 11.927 9.091 1.00 0.00 C ATOM 161 CD LYS A 11 4.285 13.392 8.747 1.00 0.00 C ATOM 162 CE LYS A 11 2.785 13.689 8.798 1.00 0.00 C ATOM 163 NZ LYS A 11 2.432 14.366 10.066 1.00 0.00 N ATOM 0 H LYS A 11 5.974 10.517 5.632 1.00 0.00 H new ATOM 0 HA LYS A 11 6.254 10.277 8.594 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.296 11.660 6.968 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.551 10.409 7.943 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.868 11.590 9.859 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.568 11.833 9.508 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.812 14.041 9.447 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.670 13.616 7.752 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.504 14.318 7.953 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.221 12.761 8.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.410 14.560 10.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.682 13.753 10.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.956 15.262 10.139 1.00 0.00 H new ATOM 173 N THR A 12 5.777 7.910 8.530 1.00 0.00 N ATOM 174 CA THR A 12 5.546 6.475 8.524 1.00 0.00 C ATOM 175 C THR A 12 4.185 6.151 9.145 1.00 0.00 C ATOM 176 O THR A 12 4.021 6.227 10.362 1.00 0.00 O ATOM 177 CB THR A 12 6.718 5.805 9.246 1.00 0.00 C ATOM 178 OG1 THR A 12 7.819 5.986 8.359 1.00 0.00 O ATOM 179 CG2 THR A 12 6.558 4.286 9.336 1.00 0.00 C ATOM 0 H THR A 12 6.272 8.259 9.351 1.00 0.00 H new ATOM 0 HA THR A 12 5.505 6.085 7.507 1.00 0.00 H new ATOM 0 HB THR A 12 6.813 6.220 10.249 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.623 5.583 8.749 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.416 3.860 9.857 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.646 4.048 9.884 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.498 3.866 8.332 1.00 0.00 H new ATOM 187 N ILE A 13 3.245 5.799 8.281 1.00 0.00 N ATOM 188 CA ILE A 13 1.905 5.464 8.729 1.00 0.00 C ATOM 189 C ILE A 13 1.742 3.942 8.744 1.00 0.00 C ATOM 190 O ILE A 13 1.936 3.284 7.723 1.00 0.00 O ATOM 191 CB ILE A 13 0.859 6.186 7.878 1.00 0.00 C ATOM 192 CG1 ILE A 13 0.684 7.635 8.337 1.00 0.00 C ATOM 193 CG2 ILE A 13 -0.467 5.422 7.872 1.00 0.00 C ATOM 194 CD1 ILE A 13 1.717 8.548 7.675 1.00 0.00 C ATOM 0 H ILE A 13 3.385 5.739 7.272 1.00 0.00 H new ATOM 0 HA ILE A 13 1.747 5.812 9.750 1.00 0.00 H new ATOM 0 HB ILE A 13 1.217 6.215 6.849 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.321 7.979 8.092 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.785 7.692 9.421 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -1.193 5.957 7.260 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.311 4.425 7.461 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.844 5.339 8.891 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.571 9.572 8.018 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.720 8.216 7.942 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.597 8.508 6.592 1.00 0.00 H new ATOM 205 N THR A 14 1.387 3.429 9.913 1.00 0.00 N ATOM 206 CA THR A 14 1.195 1.997 10.074 1.00 0.00 C ATOM 207 C THR A 14 -0.166 1.575 9.518 1.00 0.00 C ATOM 208 O THR A 14 -1.125 2.345 9.564 1.00 0.00 O ATOM 209 CB THR A 14 1.378 1.660 11.554 1.00 0.00 C ATOM 210 OG1 THR A 14 2.435 2.517 11.978 1.00 0.00 O ATOM 211 CG2 THR A 14 1.934 0.250 11.769 1.00 0.00 C ATOM 0 H THR A 14 1.227 3.979 10.757 1.00 0.00 H new ATOM 0 HA THR A 14 1.932 1.432 9.503 1.00 0.00 H new ATOM 0 HB THR A 14 0.422 1.756 12.068 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.618 2.365 12.929 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.045 0.061 12.837 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.248 -0.481 11.341 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.906 0.164 11.283 1.00 0.00 H new ATOM 219 N LEU A 15 -0.208 0.355 9.006 1.00 0.00 N ATOM 220 CA LEU A 15 -1.436 -0.179 8.442 1.00 0.00 C ATOM 221 C LEU A 15 -1.552 -1.663 8.794 1.00 0.00 C ATOM 222 O LEU A 15 -0.546 -2.369 8.863 1.00 0.00 O ATOM 223 CB LEU A 15 -1.503 0.103 6.939 1.00 0.00 C ATOM 224 CG LEU A 15 -1.143 1.527 6.508 1.00 0.00 C ATOM 225 CD1 LEU A 15 -0.606 1.546 5.075 1.00 0.00 C ATOM 226 CD2 LEU A 15 -2.334 2.471 6.687 1.00 0.00 C ATOM 0 H LEU A 15 0.589 -0.280 8.970 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.302 0.321 8.876 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.834 -0.590 6.429 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.513 -0.116 6.593 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.345 1.890 7.156 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.358 2.569 4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.288 0.925 5.013 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.365 1.157 4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.052 3.476 6.374 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.169 2.122 6.079 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.631 2.488 7.736 1.00 0.00 H new ATOM 237 N GLU A 16 -2.786 -2.094 9.008 1.00 0.00 N ATOM 238 CA GLU A 16 -3.045 -3.482 9.352 1.00 0.00 C ATOM 239 C GLU A 16 -3.811 -4.174 8.222 1.00 0.00 C ATOM 240 O GLU A 16 -5.020 -4.378 8.321 1.00 0.00 O ATOM 241 CB GLU A 16 -3.806 -3.586 10.674 1.00 0.00 C ATOM 242 CG GLU A 16 -2.866 -3.968 11.819 1.00 0.00 C ATOM 243 CD GLU A 16 -3.355 -5.229 12.533 1.00 0.00 C ATOM 244 OE1 GLU A 16 -3.690 -6.194 11.814 1.00 0.00 O ATOM 245 OE2 GLU A 16 -3.382 -5.200 13.783 1.00 0.00 O ATOM 0 H GLU A 16 -3.618 -1.507 8.950 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.089 -3.989 9.481 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.288 -2.634 10.896 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.597 -4.330 10.585 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.861 -4.133 11.430 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.801 -3.145 12.531 1.00 0.00 H new ATOM 250 N VAL A 17 -3.076 -4.516 7.174 1.00 0.00 N ATOM 251 CA VAL A 17 -3.671 -5.181 6.027 1.00 0.00 C ATOM 252 C VAL A 17 -3.016 -6.552 5.842 1.00 0.00 C ATOM 253 O VAL A 17 -1.796 -6.676 5.917 1.00 0.00 O ATOM 254 CB VAL A 17 -3.554 -4.291 4.788 1.00 0.00 C ATOM 255 CG1 VAL A 17 -4.482 -3.079 4.894 1.00 0.00 C ATOM 256 CG2 VAL A 17 -2.105 -3.854 4.560 1.00 0.00 C ATOM 0 H VAL A 17 -2.074 -4.345 7.095 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.735 -5.348 6.192 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.866 -4.878 3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.379 -2.463 4.001 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.514 -3.418 4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.215 -2.492 5.772 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.051 -3.223 3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.753 -3.294 5.426 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.478 -4.734 4.418 1.00 0.00 H new ATOM 266 N GLU A 18 -3.860 -7.546 5.604 1.00 0.00 N ATOM 267 CA GLU A 18 -3.379 -8.903 5.407 1.00 0.00 C ATOM 268 C GLU A 18 -2.702 -9.034 4.042 1.00 0.00 C ATOM 269 O GLU A 18 -2.726 -8.101 3.240 1.00 0.00 O ATOM 270 CB GLU A 18 -4.517 -9.915 5.554 1.00 0.00 C ATOM 271 CG GLU A 18 -4.313 -10.795 6.789 1.00 0.00 C ATOM 272 CD GLU A 18 -5.006 -10.194 8.013 1.00 0.00 C ATOM 273 OE1 GLU A 18 -4.536 -9.128 8.464 1.00 0.00 O ATOM 274 OE2 GLU A 18 -5.991 -10.813 8.469 1.00 0.00 O ATOM 0 H GLU A 18 -4.873 -7.439 5.543 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.641 -9.121 6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.468 -9.389 5.631 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.570 -10.540 4.663 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.707 -11.793 6.597 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.247 -10.906 6.988 1.00 0.00 H new ATOM 279 N PRO A 19 -2.097 -10.231 3.812 1.00 0.00 N ATOM 280 CA PRO A 19 -1.415 -10.496 2.557 1.00 0.00 C ATOM 281 C PRO A 19 -2.418 -10.746 1.429 1.00 0.00 C ATOM 282 O PRO A 19 -2.066 -10.680 0.253 1.00 0.00 O ATOM 283 CB PRO A 19 -0.527 -11.697 2.838 1.00 0.00 C ATOM 284 CG PRO A 19 -1.086 -12.343 4.095 1.00 0.00 C ATOM 285 CD PRO A 19 -2.049 -11.360 4.738 1.00 0.00 C ATOM 0 HA PRO A 19 -0.821 -9.649 2.215 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.539 -12.396 2.001 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.509 -11.391 2.984 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.598 -13.274 3.850 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.281 -12.594 4.785 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.036 -11.803 4.874 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.700 -11.050 5.723 1.00 0.00 H new ATOM 290 N SER A 20 -3.650 -11.029 1.828 1.00 0.00 N ATOM 291 CA SER A 20 -4.708 -11.291 0.866 1.00 0.00 C ATOM 292 C SER A 20 -5.404 -9.983 0.486 1.00 0.00 C ATOM 293 O SER A 20 -6.054 -9.901 -0.554 1.00 0.00 O ATOM 294 CB SER A 20 -5.723 -12.291 1.421 1.00 0.00 C ATOM 295 OG SER A 20 -5.098 -13.484 1.889 1.00 0.00 O ATOM 0 H SER A 20 -3.939 -11.083 2.805 1.00 0.00 H new ATOM 0 HA SER A 20 -4.259 -11.729 -0.025 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.278 -11.829 2.237 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.446 -12.541 0.645 1.00 0.00 H new ATOM 0 HG SER A 20 -5.780 -14.096 2.237 1.00 0.00 H new ATOM 300 N ASP A 21 -5.244 -8.991 1.351 1.00 0.00 N ATOM 301 CA ASP A 21 -5.849 -7.691 1.119 1.00 0.00 C ATOM 302 C ASP A 21 -5.426 -7.174 -0.258 1.00 0.00 C ATOM 303 O ASP A 21 -4.630 -7.812 -0.946 1.00 0.00 O ATOM 304 CB ASP A 21 -5.390 -6.675 2.166 1.00 0.00 C ATOM 305 CG ASP A 21 -6.241 -6.627 3.438 1.00 0.00 C ATOM 306 OD1 ASP A 21 -6.647 -7.718 3.890 1.00 0.00 O ATOM 307 OD2 ASP A 21 -6.465 -5.499 3.927 1.00 0.00 O ATOM 0 H ASP A 21 -4.704 -9.062 2.213 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.931 -7.808 1.179 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.361 -6.902 2.444 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.386 -5.684 1.712 1.00 0.00 H new ATOM 311 N THR A 22 -5.979 -6.026 -0.618 1.00 0.00 N ATOM 312 CA THR A 22 -5.669 -5.417 -1.901 1.00 0.00 C ATOM 313 C THR A 22 -5.100 -4.011 -1.700 1.00 0.00 C ATOM 314 O THR A 22 -5.172 -3.459 -0.603 1.00 0.00 O ATOM 315 CB THR A 22 -6.938 -5.442 -2.755 1.00 0.00 C ATOM 316 OG1 THR A 22 -7.302 -6.819 -2.795 1.00 0.00 O ATOM 317 CG2 THR A 22 -6.666 -5.085 -4.218 1.00 0.00 C ATOM 0 H THR A 22 -6.640 -5.501 -0.045 1.00 0.00 H new ATOM 0 HA THR A 22 -4.895 -5.975 -2.427 1.00 0.00 H new ATOM 0 HB THR A 22 -7.668 -4.746 -2.342 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.117 -6.926 -3.328 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.599 -5.118 -4.780 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.243 -4.082 -4.275 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.962 -5.801 -4.642 1.00 0.00 H new ATOM 325 N ILE A 23 -4.546 -3.472 -2.776 1.00 0.00 N ATOM 326 CA ILE A 23 -3.964 -2.141 -2.732 1.00 0.00 C ATOM 327 C ILE A 23 -5.074 -1.111 -2.511 1.00 0.00 C ATOM 328 O ILE A 23 -4.987 -0.283 -1.605 1.00 0.00 O ATOM 329 CB ILE A 23 -3.125 -1.881 -3.984 1.00 0.00 C ATOM 330 CG1 ILE A 23 -1.870 -2.756 -3.994 1.00 0.00 C ATOM 331 CG2 ILE A 23 -2.788 -0.394 -4.120 1.00 0.00 C ATOM 332 CD1 ILE A 23 -1.107 -2.636 -2.673 1.00 0.00 C ATOM 0 H ILE A 23 -4.488 -3.933 -3.684 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.275 -2.054 -1.892 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.718 -2.158 -4.856 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.149 -3.796 -4.164 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.223 -2.461 -4.820 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.191 -0.237 -5.018 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.710 0.183 -4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.223 -0.068 -3.247 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.220 -3.268 -2.707 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.809 -1.599 -2.518 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.749 -2.955 -1.852 1.00 0.00 H new ATOM 343 N GLU A 24 -6.093 -1.196 -3.354 1.00 0.00 N ATOM 344 CA GLU A 24 -7.219 -0.282 -3.262 1.00 0.00 C ATOM 345 C GLU A 24 -7.771 -0.262 -1.835 1.00 0.00 C ATOM 346 O GLU A 24 -8.422 0.701 -1.432 1.00 0.00 O ATOM 347 CB GLU A 24 -8.311 -0.654 -4.267 1.00 0.00 C ATOM 348 CG GLU A 24 -8.912 -2.024 -3.943 1.00 0.00 C ATOM 349 CD GLU A 24 -10.301 -2.173 -4.565 1.00 0.00 C ATOM 350 OE1 GLU A 24 -10.987 -1.133 -4.679 1.00 0.00 O ATOM 351 OE2 GLU A 24 -10.648 -3.323 -4.911 1.00 0.00 O ATOM 0 H GLU A 24 -6.162 -1.884 -4.104 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.869 0.720 -3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.095 0.103 -4.254 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.895 -0.665 -5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.256 -2.810 -4.316 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.978 -2.150 -2.862 1.00 0.00 H new ATOM 356 N ASN A 25 -7.493 -1.336 -1.112 1.00 0.00 N ATOM 357 CA ASN A 25 -7.954 -1.455 0.260 1.00 0.00 C ATOM 358 C ASN A 25 -7.014 -0.671 1.179 1.00 0.00 C ATOM 359 O ASN A 25 -7.462 -0.008 2.114 1.00 0.00 O ATOM 360 CB ASN A 25 -7.953 -2.914 0.719 1.00 0.00 C ATOM 361 CG ASN A 25 -9.369 -3.493 0.708 1.00 0.00 C ATOM 362 OD1 ASN A 25 -9.981 -3.724 1.738 1.00 0.00 O ATOM 363 ND2 ASN A 25 -9.854 -3.713 -0.511 1.00 0.00 N ATOM 0 H ASN A 25 -6.954 -2.133 -1.451 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.970 -1.063 0.308 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.310 -3.504 0.066 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.536 -2.983 1.724 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.792 -4.098 -0.625 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.288 -3.497 -1.332 1.00 0.00 H new ATOM 369 N VAL A 26 -5.727 -0.772 0.880 1.00 0.00 N ATOM 370 CA VAL A 26 -4.720 -0.080 1.668 1.00 0.00 C ATOM 371 C VAL A 26 -4.914 1.431 1.522 1.00 0.00 C ATOM 372 O VAL A 26 -5.086 2.137 2.514 1.00 0.00 O ATOM 373 CB VAL A 26 -3.322 -0.546 1.255 1.00 0.00 C ATOM 374 CG1 VAL A 26 -2.240 0.238 2.000 1.00 0.00 C ATOM 375 CG2 VAL A 26 -3.159 -2.051 1.475 1.00 0.00 C ATOM 0 H VAL A 26 -5.358 -1.322 0.104 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.830 -0.321 2.725 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.204 -0.349 0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.256 -0.113 1.688 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.336 1.299 1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.355 0.087 3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.157 -2.356 1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.307 -2.283 2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.897 -2.588 0.879 1.00 0.00 H new ATOM 385 N LYS A 27 -4.879 1.882 0.277 1.00 0.00 N ATOM 386 CA LYS A 27 -5.048 3.296 -0.011 1.00 0.00 C ATOM 387 C LYS A 27 -6.300 3.811 0.702 1.00 0.00 C ATOM 388 O LYS A 27 -6.267 4.861 1.342 1.00 0.00 O ATOM 389 CB LYS A 27 -5.057 3.538 -1.521 1.00 0.00 C ATOM 390 CG LYS A 27 -3.674 3.286 -2.126 1.00 0.00 C ATOM 391 CD LYS A 27 -3.789 2.743 -3.551 1.00 0.00 C ATOM 392 CE LYS A 27 -3.582 3.855 -4.581 1.00 0.00 C ATOM 393 NZ LYS A 27 -4.665 3.837 -5.589 1.00 0.00 N ATOM 0 H LYS A 27 -4.736 1.293 -0.544 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.203 3.867 0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.789 2.883 -1.993 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.366 4.563 -1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.101 4.213 -2.132 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.126 2.577 -1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.049 1.958 -3.705 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.770 2.289 -3.693 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.560 4.823 -4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.618 3.728 -5.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.509 4.598 -6.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.668 2.920 -6.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.581 3.980 -5.117 1.00 0.00 H new ATOM 403 N ALA A 28 -7.376 3.048 0.566 1.00 0.00 N ATOM 404 CA ALA A 28 -8.636 3.414 1.190 1.00 0.00 C ATOM 405 C ALA A 28 -8.386 3.796 2.650 1.00 0.00 C ATOM 406 O ALA A 28 -9.069 4.662 3.194 1.00 0.00 O ATOM 407 CB ALA A 28 -9.629 2.258 1.052 1.00 0.00 C ATOM 0 H ALA A 28 -7.400 2.179 0.033 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.072 4.280 0.693 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.574 2.533 1.520 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.795 2.045 -0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.226 1.372 1.541 1.00 0.00 H new ATOM 413 N LYS A 29 -7.405 3.132 3.242 1.00 0.00 N ATOM 414 CA LYS A 29 -7.057 3.391 4.629 1.00 0.00 C ATOM 415 C LYS A 29 -6.217 4.667 4.710 1.00 0.00 C ATOM 416 O LYS A 29 -6.311 5.417 5.681 1.00 0.00 O ATOM 417 CB LYS A 29 -6.378 2.168 5.248 1.00 0.00 C ATOM 418 CG LYS A 29 -7.393 1.059 5.529 1.00 0.00 C ATOM 419 CD LYS A 29 -6.722 -0.147 6.189 1.00 0.00 C ATOM 420 CE LYS A 29 -7.614 -0.742 7.281 1.00 0.00 C ATOM 421 NZ LYS A 29 -8.658 -1.605 6.683 1.00 0.00 N ATOM 0 H LYS A 29 -6.840 2.415 2.787 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.956 3.562 5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.606 1.797 4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.881 2.454 6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.182 1.440 6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.867 0.751 4.597 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.508 -0.906 5.436 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.767 0.154 6.619 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.009 -1.322 7.977 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.080 0.059 7.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.255 -2.001 7.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.246 -1.041 6.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.208 -2.380 6.155 1.00 0.00 H new ATOM 431 N ILE A 30 -5.415 4.876 3.676 1.00 0.00 N ATOM 432 CA ILE A 30 -4.559 6.048 3.618 1.00 0.00 C ATOM 433 C ILE A 30 -5.425 7.298 3.453 1.00 0.00 C ATOM 434 O ILE A 30 -5.003 8.400 3.799 1.00 0.00 O ATOM 435 CB ILE A 30 -3.500 5.885 2.525 1.00 0.00 C ATOM 436 CG1 ILE A 30 -2.876 4.489 2.571 1.00 0.00 C ATOM 437 CG2 ILE A 30 -2.445 6.989 2.614 1.00 0.00 C ATOM 438 CD1 ILE A 30 -2.349 4.170 3.971 1.00 0.00 C ATOM 0 H ILE A 30 -5.340 4.253 2.872 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.006 6.163 4.550 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.990 5.987 1.557 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.618 3.745 2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.062 4.427 1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.705 6.849 1.826 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.924 7.961 2.494 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.953 6.945 3.586 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.911 3.172 3.976 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.590 4.901 4.249 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.170 4.209 4.687 1.00 0.00 H new ATOM 449 N GLN A 31 -6.621 7.086 2.924 1.00 0.00 N ATOM 450 CA GLN A 31 -7.550 8.182 2.709 1.00 0.00 C ATOM 451 C GLN A 31 -8.008 8.760 4.050 1.00 0.00 C ATOM 452 O GLN A 31 -7.970 9.973 4.251 1.00 0.00 O ATOM 453 CB GLN A 31 -8.748 7.729 1.870 1.00 0.00 C ATOM 454 CG GLN A 31 -8.483 7.940 0.378 1.00 0.00 C ATOM 455 CD GLN A 31 -7.495 6.901 -0.156 1.00 0.00 C ATOM 456 OE1 GLN A 31 -7.834 5.756 -0.407 1.00 0.00 O ATOM 457 NE2 GLN A 31 -6.258 7.362 -0.314 1.00 0.00 N ATOM 0 H GLN A 31 -6.968 6.171 2.638 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.035 8.966 2.154 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.953 6.676 2.061 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.636 8.286 2.168 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.420 7.873 -0.174 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.087 8.942 0.214 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.042 8.332 -0.085 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.525 6.746 -0.665 1.00 0.00 H new ATOM 464 N ASP A 32 -8.429 7.866 4.931 1.00 0.00 N ATOM 465 CA ASP A 32 -8.893 8.272 6.247 1.00 0.00 C ATOM 466 C ASP A 32 -7.692 8.427 7.181 1.00 0.00 C ATOM 467 O ASP A 32 -7.558 9.442 7.864 1.00 0.00 O ATOM 468 CB ASP A 32 -9.828 7.222 6.850 1.00 0.00 C ATOM 469 CG ASP A 32 -11.007 7.787 7.645 1.00 0.00 C ATOM 470 OD1 ASP A 32 -11.090 9.031 7.731 1.00 0.00 O ATOM 471 OD2 ASP A 32 -11.800 6.962 8.148 1.00 0.00 O ATOM 0 H ASP A 32 -8.459 6.861 4.760 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.431 9.214 6.139 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.217 6.599 6.045 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.246 6.572 7.504 1.00 0.00 H new ATOM 475 N LYS A 33 -6.846 7.407 7.181 1.00 0.00 N ATOM 476 CA LYS A 33 -5.661 7.417 8.020 1.00 0.00 C ATOM 477 C LYS A 33 -5.079 8.831 8.057 1.00 0.00 C ATOM 478 O LYS A 33 -5.035 9.461 9.113 1.00 0.00 O ATOM 479 CB LYS A 33 -4.665 6.355 7.553 1.00 0.00 C ATOM 480 CG LYS A 33 -5.139 4.950 7.935 1.00 0.00 C ATOM 481 CD LYS A 33 -4.710 4.597 9.361 1.00 0.00 C ATOM 482 CE LYS A 33 -5.809 4.944 10.366 1.00 0.00 C ATOM 483 NZ LYS A 33 -5.810 3.978 11.488 1.00 0.00 N ATOM 0 H LYS A 33 -6.959 6.568 6.612 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.918 7.151 9.045 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.540 6.419 6.472 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.689 6.547 7.998 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.224 4.893 7.853 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.728 4.221 7.237 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.479 3.534 9.422 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.797 5.137 9.614 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.655 5.953 10.748 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.780 4.935 9.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.562 4.228 12.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.979 3.020 11.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.890 4.006 11.971 1.00 0.00 H new ATOM 493 N GLU A 34 -4.647 9.289 6.891 1.00 0.00 N ATOM 494 CA GLU A 34 -4.070 10.618 6.776 1.00 0.00 C ATOM 495 C GLU A 34 -5.177 11.667 6.630 1.00 0.00 C ATOM 496 O GLU A 34 -5.242 12.617 7.408 1.00 0.00 O ATOM 497 CB GLU A 34 -3.089 10.690 5.605 1.00 0.00 C ATOM 498 CG GLU A 34 -1.661 10.927 6.101 1.00 0.00 C ATOM 499 CD GLU A 34 -1.342 12.422 6.159 1.00 0.00 C ATOM 500 OE1 GLU A 34 -1.486 13.076 5.103 1.00 0.00 O ATOM 501 OE2 GLU A 34 -0.960 12.878 7.259 1.00 0.00 O ATOM 0 H GLU A 34 -4.685 8.763 6.018 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.512 10.831 7.688 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.130 9.763 5.034 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.382 11.494 4.930 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.538 10.487 7.090 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.954 10.426 5.439 1.00 0.00 H new ATOM 506 N GLY A 35 -6.017 11.457 5.627 1.00 0.00 N ATOM 507 CA GLY A 35 -7.116 12.372 5.369 1.00 0.00 C ATOM 508 C GLY A 35 -6.970 13.032 3.997 1.00 0.00 C ATOM 509 O GLY A 35 -7.389 14.172 3.804 1.00 0.00 O ATOM 0 H GLY A 35 -5.959 10.667 4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.062 11.833 5.418 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.145 13.138 6.144 1.00 0.00 H new ATOM 513 N ILE A 36 -6.373 12.286 3.078 1.00 0.00 N ATOM 514 CA ILE A 36 -6.167 12.784 1.728 1.00 0.00 C ATOM 515 C ILE A 36 -6.946 11.912 0.742 1.00 0.00 C ATOM 516 O ILE A 36 -7.121 10.716 0.970 1.00 0.00 O ATOM 517 CB ILE A 36 -4.672 12.880 1.416 1.00 0.00 C ATOM 518 CG1 ILE A 36 -4.076 14.170 1.983 1.00 0.00 C ATOM 519 CG2 ILE A 36 -4.416 12.741 -0.086 1.00 0.00 C ATOM 520 CD1 ILE A 36 -3.109 13.869 3.130 1.00 0.00 C ATOM 0 H ILE A 36 -6.026 11.341 3.242 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.556 13.798 1.632 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.166 12.049 1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.553 14.711 1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.876 14.819 2.338 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.346 12.813 -0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.783 11.774 -0.430 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.936 13.537 -0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.699 14.803 3.515 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.641 13.350 3.927 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.297 13.240 2.766 1.00 0.00 H new ATOM 531 N PRO A 37 -7.405 12.561 -0.362 1.00 0.00 N ATOM 532 CA PRO A 37 -8.162 11.857 -1.383 1.00 0.00 C ATOM 533 C PRO A 37 -7.245 10.980 -2.238 1.00 0.00 C ATOM 534 O PRO A 37 -6.065 11.285 -2.404 1.00 0.00 O ATOM 535 CB PRO A 37 -8.853 12.949 -2.182 1.00 0.00 C ATOM 536 CG PRO A 37 -8.097 14.232 -1.877 1.00 0.00 C ATOM 537 CD PRO A 37 -7.216 13.976 -0.664 1.00 0.00 C ATOM 0 HA PRO A 37 -8.893 11.165 -0.964 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.830 12.726 -3.249 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.902 13.037 -1.898 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.491 14.531 -2.733 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.793 15.047 -1.678 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.171 14.199 -0.879 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.509 14.603 0.178 1.00 0.00 H new ATOM 542 N PRO A 38 -7.837 9.878 -2.771 1.00 0.00 N ATOM 543 CA PRO A 38 -7.087 8.954 -3.605 1.00 0.00 C ATOM 544 C PRO A 38 -6.847 9.542 -4.997 1.00 0.00 C ATOM 545 O PRO A 38 -6.250 8.893 -5.855 1.00 0.00 O ATOM 546 CB PRO A 38 -7.920 7.683 -3.632 1.00 0.00 C ATOM 547 CG PRO A 38 -9.319 8.093 -3.202 1.00 0.00 C ATOM 548 CD PRO A 38 -9.232 9.484 -2.596 1.00 0.00 C ATOM 0 HA PRO A 38 -6.089 8.752 -3.216 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.931 7.244 -4.630 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.508 6.932 -2.958 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.997 8.090 -4.056 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.718 7.385 -2.476 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.906 10.178 -3.099 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.512 9.475 -1.543 1.00 0.00 H new ATOM 553 N ASP A 39 -7.325 10.764 -5.178 1.00 0.00 N ATOM 554 CA ASP A 39 -7.171 11.447 -6.451 1.00 0.00 C ATOM 555 C ASP A 39 -5.698 11.804 -6.659 1.00 0.00 C ATOM 556 O ASP A 39 -5.248 11.966 -7.792 1.00 0.00 O ATOM 557 CB ASP A 39 -7.981 12.745 -6.482 1.00 0.00 C ATOM 558 CG ASP A 39 -9.223 12.711 -7.377 1.00 0.00 C ATOM 559 OD1 ASP A 39 -9.941 11.690 -7.312 1.00 0.00 O ATOM 560 OD2 ASP A 39 -9.425 13.708 -8.104 1.00 0.00 O ATOM 0 H ASP A 39 -7.819 11.299 -4.464 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.528 10.780 -7.236 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.291 12.987 -5.465 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.331 13.553 -6.818 1.00 0.00 H new ATOM 564 N GLN A 40 -4.987 11.916 -5.546 1.00 0.00 N ATOM 565 CA GLN A 40 -3.574 12.251 -5.591 1.00 0.00 C ATOM 566 C GLN A 40 -2.742 11.126 -4.973 1.00 0.00 C ATOM 567 O GLN A 40 -1.569 10.962 -5.306 1.00 0.00 O ATOM 568 CB GLN A 40 -3.304 13.583 -4.889 1.00 0.00 C ATOM 569 CG GLN A 40 -4.239 14.677 -5.409 1.00 0.00 C ATOM 570 CD GLN A 40 -4.740 15.559 -4.263 1.00 0.00 C ATOM 571 OE1 GLN A 40 -4.549 16.764 -4.244 1.00 0.00 O ATOM 572 NE2 GLN A 40 -5.390 14.894 -3.312 1.00 0.00 N ATOM 0 H GLN A 40 -5.363 11.781 -4.608 1.00 0.00 H new ATOM 0 HA GLN A 40 -3.280 12.362 -6.635 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.439 13.465 -3.814 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.267 13.879 -5.050 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.715 15.290 -6.142 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.087 14.223 -5.921 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.515 13.885 -3.390 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.764 15.393 -2.505 1.00 0.00 H new ATOM 579 N GLN A 41 -3.381 10.381 -4.083 1.00 0.00 N ATOM 580 CA GLN A 41 -2.715 9.277 -3.415 1.00 0.00 C ATOM 581 C GLN A 41 -2.119 8.314 -4.445 1.00 0.00 C ATOM 582 O GLN A 41 -2.649 8.170 -5.545 1.00 0.00 O ATOM 583 CB GLN A 41 -3.674 8.545 -2.474 1.00 0.00 C ATOM 584 CG GLN A 41 -4.305 9.514 -1.472 1.00 0.00 C ATOM 585 CD GLN A 41 -3.831 9.216 -0.049 1.00 0.00 C ATOM 586 OE1 GLN A 41 -2.746 8.705 0.179 1.00 0.00 O ATOM 587 NE2 GLN A 41 -4.702 9.561 0.896 1.00 0.00 N ATOM 0 H GLN A 41 -4.354 10.521 -3.809 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.903 9.682 -2.811 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.456 8.056 -3.055 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.137 7.762 -1.939 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.045 10.539 -1.739 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.391 9.437 -1.521 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.593 9.985 0.638 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.478 9.402 1.878 1.00 0.00 H new ATOM 594 N ARG A 42 -1.022 7.683 -4.052 1.00 0.00 N ATOM 595 CA ARG A 42 -0.347 6.740 -4.927 1.00 0.00 C ATOM 596 C ARG A 42 0.559 5.814 -4.113 1.00 0.00 C ATOM 597 O ARG A 42 1.667 6.196 -3.740 1.00 0.00 O ATOM 598 CB ARG A 42 0.493 7.468 -5.980 1.00 0.00 C ATOM 599 CG ARG A 42 1.124 6.477 -6.959 1.00 0.00 C ATOM 600 CD ARG A 42 0.605 6.703 -8.380 1.00 0.00 C ATOM 601 NE ARG A 42 -0.818 6.306 -8.469 1.00 0.00 N ATOM 602 CZ ARG A 42 -1.235 5.056 -8.717 1.00 0.00 C ATOM 603 NH1 ARG A 42 -0.340 4.077 -8.903 1.00 0.00 N ATOM 604 NH2 ARG A 42 -2.545 4.787 -8.779 1.00 0.00 N ATOM 0 H ARG A 42 -0.584 7.807 -3.139 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.113 6.152 -5.433 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.133 8.174 -6.525 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.275 8.048 -5.489 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.208 6.585 -6.943 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.901 5.458 -6.644 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.716 7.752 -8.654 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.197 6.124 -9.089 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.525 7.028 -8.333 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.658 4.283 -8.856 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.656 3.126 -9.092 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.226 5.533 -8.638 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.862 3.836 -8.968 1.00 0.00 H new ATOM 615 N LEU A 43 0.055 4.615 -3.862 1.00 0.00 N ATOM 616 CA LEU A 43 0.805 3.632 -3.099 1.00 0.00 C ATOM 617 C LEU A 43 1.840 2.968 -4.009 1.00 0.00 C ATOM 618 O LEU A 43 1.514 2.537 -5.115 1.00 0.00 O ATOM 619 CB LEU A 43 -0.144 2.642 -2.423 1.00 0.00 C ATOM 620 CG LEU A 43 0.250 2.190 -1.015 1.00 0.00 C ATOM 621 CD1 LEU A 43 0.511 3.393 -0.107 1.00 0.00 C ATOM 622 CD2 LEU A 43 -0.801 1.246 -0.427 1.00 0.00 C ATOM 0 H LEU A 43 -0.864 4.302 -4.174 1.00 0.00 H new ATOM 0 HA LEU A 43 1.354 4.115 -2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.135 3.094 -2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.228 1.759 -3.057 1.00 0.00 H new ATOM 0 HG LEU A 43 1.182 1.630 -1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.789 3.045 0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.322 3.993 -0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.392 4.000 -0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.496 0.940 0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.761 1.759 -0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.895 0.365 -1.062 1.00 0.00 H new ATOM 633 N ILE A 44 3.067 2.907 -3.511 1.00 0.00 N ATOM 634 CA ILE A 44 4.151 2.303 -4.266 1.00 0.00 C ATOM 635 C ILE A 44 5.030 1.482 -3.320 1.00 0.00 C ATOM 636 O ILE A 44 5.597 2.021 -2.371 1.00 0.00 O ATOM 637 CB ILE A 44 4.920 3.369 -5.048 1.00 0.00 C ATOM 638 CG1 ILE A 44 4.277 3.616 -6.416 1.00 0.00 C ATOM 639 CG2 ILE A 44 6.400 3.003 -5.168 1.00 0.00 C ATOM 640 CD1 ILE A 44 5.304 4.159 -7.413 1.00 0.00 C ATOM 0 H ILE A 44 3.334 3.266 -2.594 1.00 0.00 H new ATOM 0 HA ILE A 44 3.756 1.615 -5.014 1.00 0.00 H new ATOM 0 HB ILE A 44 4.865 4.305 -4.492 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.852 2.687 -6.796 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.455 4.324 -6.313 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.922 3.778 -5.729 1.00 0.00 H new ATOM 0 HG22 ILE A 44 6.836 2.919 -4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.498 2.050 -5.689 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.823 4.326 -8.377 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.709 5.100 -7.042 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.113 3.438 -7.532 1.00 0.00 H new ATOM 651 N PHE A 45 5.114 0.192 -3.612 1.00 0.00 N ATOM 652 CA PHE A 45 5.914 -0.708 -2.798 1.00 0.00 C ATOM 653 C PHE A 45 7.267 -0.986 -3.457 1.00 0.00 C ATOM 654 O PHE A 45 7.345 -1.161 -4.672 1.00 0.00 O ATOM 655 CB PHE A 45 5.136 -2.020 -2.685 1.00 0.00 C ATOM 656 CG PHE A 45 5.691 -2.984 -1.635 1.00 0.00 C ATOM 657 CD1 PHE A 45 5.948 -2.543 -0.375 1.00 0.00 C ATOM 658 CD2 PHE A 45 5.926 -4.284 -1.961 1.00 0.00 C ATOM 659 CE1 PHE A 45 6.464 -3.438 0.600 1.00 0.00 C ATOM 660 CE2 PHE A 45 6.441 -5.178 -0.987 1.00 0.00 C ATOM 661 CZ PHE A 45 6.699 -4.736 0.273 1.00 0.00 C ATOM 0 H PHE A 45 4.642 -0.251 -4.400 1.00 0.00 H new ATOM 0 HA PHE A 45 6.100 -0.260 -1.822 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.097 -1.795 -2.444 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.137 -2.516 -3.656 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.760 -1.512 -0.115 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.720 -4.635 -2.961 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.669 -3.087 1.601 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.628 -6.210 -1.246 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.091 -5.417 1.014 1.00 0.00 H new ATOM 670 N ALA A 46 8.299 -1.018 -2.626 1.00 0.00 N ATOM 671 CA ALA A 46 9.644 -1.272 -3.112 1.00 0.00 C ATOM 672 C ALA A 46 9.878 -0.471 -4.395 1.00 0.00 C ATOM 673 O ALA A 46 10.386 -1.003 -5.381 1.00 0.00 O ATOM 674 CB ALA A 46 9.836 -2.776 -3.322 1.00 0.00 C ATOM 0 H ALA A 46 8.230 -0.872 -1.619 1.00 0.00 H new ATOM 0 HA ALA A 46 10.384 -0.947 -2.380 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.845 -2.967 -3.687 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.687 -3.297 -2.376 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.112 -3.137 -4.053 1.00 0.00 H new ATOM 680 N GLY A 47 9.496 0.797 -4.340 1.00 0.00 N ATOM 681 CA GLY A 47 9.659 1.678 -5.484 1.00 0.00 C ATOM 682 C GLY A 47 9.098 1.034 -6.755 1.00 0.00 C ATOM 683 O GLY A 47 9.672 1.180 -7.833 1.00 0.00 O ATOM 0 H GLY A 47 9.074 1.235 -3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.150 2.623 -5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.715 1.907 -5.624 1.00 0.00 H new ATOM 687 N LYS A 48 7.984 0.338 -6.584 1.00 0.00 N ATOM 688 CA LYS A 48 7.340 -0.328 -7.704 1.00 0.00 C ATOM 689 C LYS A 48 5.858 0.052 -7.734 1.00 0.00 C ATOM 690 O LYS A 48 5.217 0.146 -6.689 1.00 0.00 O ATOM 691 CB LYS A 48 7.586 -1.837 -7.643 1.00 0.00 C ATOM 692 CG LYS A 48 6.464 -2.604 -8.347 1.00 0.00 C ATOM 693 CD LYS A 48 6.682 -4.115 -8.240 1.00 0.00 C ATOM 694 CE LYS A 48 7.302 -4.671 -9.524 1.00 0.00 C ATOM 695 NZ LYS A 48 6.263 -4.866 -10.558 1.00 0.00 N ATOM 0 H LYS A 48 7.511 0.221 -5.688 1.00 0.00 H new ATOM 0 HA LYS A 48 7.775 0.005 -8.646 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.542 -2.073 -8.111 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.653 -2.157 -6.603 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.504 -2.339 -7.904 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.422 -2.312 -9.396 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.333 -4.333 -7.393 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.731 -4.611 -8.047 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.066 -3.986 -9.892 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.798 -5.619 -9.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.700 -5.244 -11.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.548 -5.537 -10.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.808 -3.955 -10.770 1.00 0.00 H new ATOM 705 N GLN A 49 5.359 0.262 -8.944 1.00 0.00 N ATOM 706 CA GLN A 49 3.964 0.630 -9.124 1.00 0.00 C ATOM 707 C GLN A 49 3.050 -0.477 -8.595 1.00 0.00 C ATOM 708 O GLN A 49 3.350 -1.660 -8.747 1.00 0.00 O ATOM 709 CB GLN A 49 3.664 0.935 -10.592 1.00 0.00 C ATOM 710 CG GLN A 49 2.877 2.240 -10.730 1.00 0.00 C ATOM 711 CD GLN A 49 3.786 3.383 -11.186 1.00 0.00 C ATOM 712 OE1 GLN A 49 4.720 3.202 -11.948 1.00 0.00 O ATOM 713 NE2 GLN A 49 3.461 4.568 -10.675 1.00 0.00 N ATOM 0 H GLN A 49 5.895 0.184 -9.808 1.00 0.00 H new ATOM 0 HA GLN A 49 3.770 1.537 -8.552 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.597 1.008 -11.150 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.095 0.115 -11.029 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.067 2.106 -11.447 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.418 2.495 -9.775 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.665 4.650 -10.042 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.007 5.395 -10.916 1.00 0.00 H new ATOM 720 N LEU A 50 1.952 -0.054 -7.986 1.00 0.00 N ATOM 721 CA LEU A 50 0.992 -0.995 -7.434 1.00 0.00 C ATOM 722 C LEU A 50 -0.253 -1.026 -8.323 1.00 0.00 C ATOM 723 O LEU A 50 -0.298 -0.362 -9.358 1.00 0.00 O ATOM 724 CB LEU A 50 0.696 -0.661 -5.971 1.00 0.00 C ATOM 725 CG LEU A 50 1.388 -1.542 -4.928 1.00 0.00 C ATOM 726 CD1 LEU A 50 2.745 -2.029 -5.438 1.00 0.00 C ATOM 727 CD2 LEU A 50 1.506 -0.814 -3.588 1.00 0.00 C ATOM 0 H LEU A 50 1.706 0.928 -7.863 1.00 0.00 H new ATOM 0 HA LEU A 50 1.405 -2.004 -7.429 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.983 0.375 -5.790 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.381 -0.725 -5.815 1.00 0.00 H new ATOM 0 HG LEU A 50 0.771 -2.425 -4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.217 -2.653 -4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.604 -2.610 -6.349 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.383 -1.171 -5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.001 -1.462 -2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.090 0.097 -3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.511 -0.558 -3.224 1.00 0.00 H new ATOM 738 N GLU A 51 -1.233 -1.803 -7.885 1.00 0.00 N ATOM 739 CA GLU A 51 -2.475 -1.930 -8.628 1.00 0.00 C ATOM 740 C GLU A 51 -3.599 -2.404 -7.705 1.00 0.00 C ATOM 741 O GLU A 51 -3.360 -3.166 -6.771 1.00 0.00 O ATOM 742 CB GLU A 51 -2.308 -2.874 -9.820 1.00 0.00 C ATOM 743 CG GLU A 51 -1.926 -2.102 -11.083 1.00 0.00 C ATOM 744 CD GLU A 51 -2.424 -2.822 -12.338 1.00 0.00 C ATOM 745 OE1 GLU A 51 -2.278 -4.063 -12.375 1.00 0.00 O ATOM 746 OE2 GLU A 51 -2.939 -2.115 -13.231 1.00 0.00 O ATOM 0 H GLU A 51 -1.192 -2.351 -7.025 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.743 -0.949 -9.020 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.540 -3.615 -9.597 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.237 -3.419 -9.990 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.350 -1.099 -11.043 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.843 -1.988 -11.130 1.00 0.00 H new ATOM 751 N ASP A 52 -4.802 -1.932 -7.999 1.00 0.00 N ATOM 752 CA ASP A 52 -5.964 -2.298 -7.208 1.00 0.00 C ATOM 753 C ASP A 52 -6.379 -3.731 -7.550 1.00 0.00 C ATOM 754 O ASP A 52 -7.021 -4.404 -6.746 1.00 0.00 O ATOM 755 CB ASP A 52 -7.149 -1.379 -7.510 1.00 0.00 C ATOM 756 CG ASP A 52 -7.521 -1.269 -8.990 1.00 0.00 C ATOM 757 OD1 ASP A 52 -6.592 -1.044 -9.794 1.00 0.00 O ATOM 758 OD2 ASP A 52 -8.728 -1.412 -9.283 1.00 0.00 O ATOM 0 H ASP A 52 -4.997 -1.299 -8.775 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.696 -2.207 -6.155 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.018 -1.738 -6.958 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.922 -0.382 -7.133 1.00 0.00 H new ATOM 762 N GLY A 53 -5.994 -4.154 -8.745 1.00 0.00 N ATOM 763 CA GLY A 53 -6.317 -5.494 -9.204 1.00 0.00 C ATOM 764 C GLY A 53 -5.303 -6.513 -8.681 1.00 0.00 C ATOM 765 O GLY A 53 -5.540 -7.719 -8.741 1.00 0.00 O ATOM 0 H GLY A 53 -5.461 -3.592 -9.409 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.317 -5.766 -8.868 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.330 -5.515 -10.294 1.00 0.00 H new ATOM 769 N ARG A 54 -4.193 -5.990 -8.178 1.00 0.00 N ATOM 770 CA ARG A 54 -3.141 -6.839 -7.645 1.00 0.00 C ATOM 771 C ARG A 54 -3.420 -7.171 -6.178 1.00 0.00 C ATOM 772 O ARG A 54 -4.525 -6.947 -5.686 1.00 0.00 O ATOM 773 CB ARG A 54 -1.775 -6.159 -7.756 1.00 0.00 C ATOM 774 CG ARG A 54 -0.900 -6.853 -8.803 1.00 0.00 C ATOM 775 CD ARG A 54 0.138 -7.759 -8.136 1.00 0.00 C ATOM 776 NE ARG A 54 0.792 -8.612 -9.153 1.00 0.00 N ATOM 777 CZ ARG A 54 2.022 -9.126 -9.023 1.00 0.00 C ATOM 778 NH1 ARG A 54 2.740 -8.877 -7.919 1.00 0.00 N ATOM 779 NH2 ARG A 54 2.536 -9.889 -9.996 1.00 0.00 N ATOM 0 H ARG A 54 -4.000 -4.990 -8.129 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.126 -7.757 -8.233 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.907 -5.111 -8.024 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.275 -6.179 -6.788 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.526 -7.443 -9.473 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.396 -6.105 -9.415 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.885 -7.154 -7.622 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.342 -8.382 -7.381 1.00 0.00 H new ATOM 0 HE ARG A 54 0.274 -8.822 -10.006 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.350 -8.296 -7.177 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.677 -9.269 -7.821 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.991 -10.079 -10.837 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.473 -10.280 -9.896 1.00 0.00 H new ATOM 790 N THR A 55 -2.399 -7.701 -5.520 1.00 0.00 N ATOM 791 CA THR A 55 -2.520 -8.066 -4.119 1.00 0.00 C ATOM 792 C THR A 55 -1.150 -8.035 -3.439 1.00 0.00 C ATOM 793 O THR A 55 -0.120 -7.994 -4.111 1.00 0.00 O ATOM 794 CB THR A 55 -3.205 -9.433 -4.044 1.00 0.00 C ATOM 795 OG1 THR A 55 -3.016 -9.986 -5.343 1.00 0.00 O ATOM 796 CG2 THR A 55 -4.724 -9.319 -3.904 1.00 0.00 C ATOM 0 H THR A 55 -1.484 -7.886 -5.932 1.00 0.00 H new ATOM 0 HA THR A 55 -3.134 -7.348 -3.575 1.00 0.00 H new ATOM 0 HB THR A 55 -2.804 -9.995 -3.200 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.428 -10.874 -5.383 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.161 -10.316 -3.855 1.00 0.00 H new ATOM 0 HG22 THR A 55 -4.965 -8.772 -2.993 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.130 -8.787 -4.764 1.00 0.00 H new ATOM 804 N LEU A 56 -1.181 -8.056 -2.115 1.00 0.00 N ATOM 805 CA LEU A 56 0.045 -8.030 -1.337 1.00 0.00 C ATOM 806 C LEU A 56 0.789 -9.355 -1.520 1.00 0.00 C ATOM 807 O LEU A 56 1.967 -9.366 -1.872 1.00 0.00 O ATOM 808 CB LEU A 56 -0.254 -7.691 0.125 1.00 0.00 C ATOM 809 CG LEU A 56 -1.427 -6.738 0.366 1.00 0.00 C ATOM 810 CD1 LEU A 56 -1.480 -6.292 1.828 1.00 0.00 C ATOM 811 CD2 LEU A 56 -1.372 -5.548 -0.595 1.00 0.00 C ATOM 0 H LEU A 56 -2.037 -8.091 -1.561 1.00 0.00 H new ATOM 0 HA LEU A 56 0.705 -7.240 -1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.451 -8.620 0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.641 -7.253 0.566 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.352 -7.276 0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.323 -5.616 1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.601 -7.164 2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.554 -5.778 2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.216 -4.886 -0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.441 -5.002 -0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.419 -5.908 -1.623 1.00 0.00 H new ATOM 822 N SER A 57 0.069 -10.440 -1.274 1.00 0.00 N ATOM 823 CA SER A 57 0.645 -11.767 -1.408 1.00 0.00 C ATOM 824 C SER A 57 1.187 -11.961 -2.825 1.00 0.00 C ATOM 825 O SER A 57 2.045 -12.812 -3.055 1.00 0.00 O ATOM 826 CB SER A 57 -0.384 -12.850 -1.081 1.00 0.00 C ATOM 827 OG SER A 57 0.232 -14.101 -0.787 1.00 0.00 O ATOM 0 H SER A 57 -0.908 -10.427 -0.983 1.00 0.00 H new ATOM 0 HA SER A 57 1.465 -11.857 -0.696 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.985 -12.533 -0.229 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.064 -12.970 -1.924 1.00 0.00 H new ATOM 0 HG SER A 57 -0.459 -14.765 -0.582 1.00 0.00 H new ATOM 832 N ASP A 58 0.664 -11.158 -3.740 1.00 0.00 N ATOM 833 CA ASP A 58 1.085 -11.231 -5.129 1.00 0.00 C ATOM 834 C ASP A 58 2.277 -10.297 -5.346 1.00 0.00 C ATOM 835 O ASP A 58 3.158 -10.586 -6.154 1.00 0.00 O ATOM 836 CB ASP A 58 -0.039 -10.790 -6.069 1.00 0.00 C ATOM 837 CG ASP A 58 -0.907 -11.925 -6.616 1.00 0.00 C ATOM 838 OD1 ASP A 58 -0.532 -13.092 -6.375 1.00 0.00 O ATOM 839 OD2 ASP A 58 -1.925 -11.599 -7.264 1.00 0.00 O ATOM 0 H ASP A 58 -0.048 -10.453 -3.547 1.00 0.00 H new ATOM 0 HA ASP A 58 1.352 -12.265 -5.347 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.680 -10.086 -5.539 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.400 -10.252 -6.909 1.00 0.00 H new ATOM 843 N TYR A 59 2.265 -9.194 -4.610 1.00 0.00 N ATOM 844 CA TYR A 59 3.335 -8.216 -4.712 1.00 0.00 C ATOM 845 C TYR A 59 4.525 -8.611 -3.836 1.00 0.00 C ATOM 846 O TYR A 59 5.456 -7.827 -3.657 1.00 0.00 O ATOM 847 CB TYR A 59 2.752 -6.899 -4.196 1.00 0.00 C ATOM 848 CG TYR A 59 2.090 -6.046 -5.279 1.00 0.00 C ATOM 849 CD1 TYR A 59 2.681 -5.925 -6.520 1.00 0.00 C ATOM 850 CD2 TYR A 59 0.901 -5.395 -5.015 1.00 0.00 C ATOM 851 CE1 TYR A 59 2.058 -5.121 -7.540 1.00 0.00 C ATOM 852 CE2 TYR A 59 0.278 -4.591 -6.035 1.00 0.00 C ATOM 853 CZ TYR A 59 0.888 -4.494 -7.247 1.00 0.00 C ATOM 854 OH TYR A 59 0.299 -3.734 -8.210 1.00 0.00 O ATOM 0 H TYR A 59 1.532 -8.957 -3.942 1.00 0.00 H new ATOM 0 HA TYR A 59 3.691 -8.142 -5.740 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.018 -7.117 -3.421 1.00 0.00 H new ATOM 0 HB3 TYR A 59 3.548 -6.320 -3.728 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.611 -6.433 -6.727 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.438 -5.489 -4.044 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.510 -5.019 -8.515 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.652 -4.077 -5.842 1.00 0.00 H new ATOM 0 HH TYR A 59 0.519 -4.097 -9.093 1.00 0.00 H new ATOM 863 N ASN A 60 4.455 -9.826 -3.311 1.00 0.00 N ATOM 864 CA ASN A 60 5.515 -10.335 -2.458 1.00 0.00 C ATOM 865 C ASN A 60 5.572 -9.505 -1.173 1.00 0.00 C ATOM 866 O ASN A 60 6.543 -9.582 -0.423 1.00 0.00 O ATOM 867 CB ASN A 60 6.877 -10.229 -3.148 1.00 0.00 C ATOM 868 CG ASN A 60 7.982 -10.828 -2.275 1.00 0.00 C ATOM 869 OD1 ASN A 60 8.166 -12.031 -2.200 1.00 0.00 O ATOM 870 ND2 ASN A 60 8.706 -9.923 -1.622 1.00 0.00 N ATOM 0 H ASN A 60 3.680 -10.472 -3.460 1.00 0.00 H new ATOM 0 HA ASN A 60 5.300 -11.382 -2.242 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.845 -10.747 -4.106 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.102 -9.183 -3.359 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.468 -10.222 -1.014 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.499 -8.930 -1.729 1.00 0.00 H new ATOM 876 N ILE A 61 4.517 -8.733 -0.959 1.00 0.00 N ATOM 877 CA ILE A 61 4.434 -7.890 0.222 1.00 0.00 C ATOM 878 C ILE A 61 4.434 -8.771 1.473 1.00 0.00 C ATOM 879 O ILE A 61 3.687 -9.745 1.551 1.00 0.00 O ATOM 880 CB ILE A 61 3.227 -6.955 0.130 1.00 0.00 C ATOM 881 CG1 ILE A 61 3.527 -5.761 -0.779 1.00 0.00 C ATOM 882 CG2 ILE A 61 2.766 -6.515 1.521 1.00 0.00 C ATOM 883 CD1 ILE A 61 2.241 -5.026 -1.161 1.00 0.00 C ATOM 0 H ILE A 61 3.712 -8.673 -1.583 1.00 0.00 H new ATOM 0 HA ILE A 61 5.307 -7.241 0.288 1.00 0.00 H new ATOM 0 HB ILE A 61 2.402 -7.506 -0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.205 -5.075 -0.272 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.035 -6.104 -1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.907 -5.851 1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.485 -7.391 2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.577 -5.989 2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.483 -4.182 -1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.575 -5.708 -1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.748 -4.663 -0.259 1.00 0.00 H new ATOM 894 N GLN A 62 5.281 -8.398 2.421 1.00 0.00 N ATOM 895 CA GLN A 62 5.388 -9.142 3.664 1.00 0.00 C ATOM 896 C GLN A 62 5.176 -8.212 4.860 1.00 0.00 C ATOM 897 O GLN A 62 5.491 -7.025 4.792 1.00 0.00 O ATOM 898 CB GLN A 62 6.737 -9.859 3.760 1.00 0.00 C ATOM 899 CG GLN A 62 6.845 -10.968 2.711 1.00 0.00 C ATOM 900 CD GLN A 62 7.179 -12.309 3.365 1.00 0.00 C ATOM 901 OE1 GLN A 62 7.117 -12.474 4.572 1.00 0.00 O ATOM 902 NE2 GLN A 62 7.537 -13.257 2.503 1.00 0.00 N ATOM 0 H GLN A 62 5.900 -7.590 2.353 1.00 0.00 H new ATOM 0 HA GLN A 62 4.607 -9.903 3.677 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.545 -9.141 3.620 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.857 -10.283 4.757 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.905 -11.050 2.165 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.615 -10.712 1.984 1.00 0.00 H new ATOM 0 HE21 GLN A 62 7.568 -13.053 1.504 1.00 0.00 H new ATOM 0 HE22 GLN A 62 7.780 -14.188 2.841 1.00 0.00 H new ATOM 909 N LYS A 63 4.641 -8.786 5.928 1.00 0.00 N ATOM 910 CA LYS A 63 4.382 -8.023 7.137 1.00 0.00 C ATOM 911 C LYS A 63 5.532 -7.042 7.372 1.00 0.00 C ATOM 912 O LYS A 63 6.683 -7.342 7.056 1.00 0.00 O ATOM 913 CB LYS A 63 4.123 -8.961 8.318 1.00 0.00 C ATOM 914 CG LYS A 63 5.347 -9.835 8.602 1.00 0.00 C ATOM 915 CD LYS A 63 5.093 -11.286 8.189 1.00 0.00 C ATOM 916 CE LYS A 63 6.108 -12.227 8.841 1.00 0.00 C ATOM 917 NZ LYS A 63 5.438 -13.451 9.331 1.00 0.00 N ATOM 0 H LYS A 63 4.380 -9.771 5.981 1.00 0.00 H new ATOM 0 HA LYS A 63 3.474 -7.430 7.026 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.876 -8.376 9.204 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.262 -9.594 8.103 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.210 -9.445 8.062 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.590 -9.793 9.664 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.083 -11.578 8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.153 -11.375 7.104 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.882 -12.492 8.121 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.603 -11.720 9.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.141 -14.079 9.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.716 -13.194 10.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.986 -13.942 8.534 1.00 0.00 H new ATOM 927 N GLU A 64 5.182 -5.890 7.924 1.00 0.00 N ATOM 928 CA GLU A 64 6.170 -4.862 8.205 1.00 0.00 C ATOM 929 C GLU A 64 6.645 -4.213 6.904 1.00 0.00 C ATOM 930 O GLU A 64 7.733 -3.641 6.852 1.00 0.00 O ATOM 931 CB GLU A 64 7.349 -5.437 8.992 1.00 0.00 C ATOM 932 CG GLU A 64 6.863 -6.222 10.213 1.00 0.00 C ATOM 933 CD GLU A 64 7.776 -7.416 10.496 1.00 0.00 C ATOM 934 OE1 GLU A 64 8.846 -7.182 11.100 1.00 0.00 O ATOM 935 OE2 GLU A 64 7.384 -8.536 10.103 1.00 0.00 O ATOM 0 H GLU A 64 4.227 -5.645 8.185 1.00 0.00 H new ATOM 0 HA GLU A 64 5.702 -4.094 8.822 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.938 -6.089 8.347 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.006 -4.628 9.313 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.835 -5.567 11.084 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.844 -6.571 10.044 1.00 0.00 H new ATOM 940 N SER A 65 5.805 -4.322 5.884 1.00 0.00 N ATOM 941 CA SER A 65 6.125 -3.753 4.586 1.00 0.00 C ATOM 942 C SER A 65 5.732 -2.274 4.552 1.00 0.00 C ATOM 943 O SER A 65 4.590 -1.925 4.847 1.00 0.00 O ATOM 944 CB SER A 65 5.421 -4.515 3.462 1.00 0.00 C ATOM 945 OG SER A 65 4.254 -5.189 3.923 1.00 0.00 O ATOM 0 H SER A 65 4.903 -4.796 5.931 1.00 0.00 H new ATOM 0 HA SER A 65 7.200 -3.841 4.430 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.148 -3.820 2.668 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.110 -5.239 3.028 1.00 0.00 H new ATOM 0 HG SER A 65 4.515 -5.957 4.472 1.00 0.00 H new ATOM 950 N THR A 66 6.701 -1.446 4.191 1.00 0.00 N ATOM 951 CA THR A 66 6.470 -0.012 4.115 1.00 0.00 C ATOM 952 C THR A 66 6.224 0.412 2.667 1.00 0.00 C ATOM 953 O THR A 66 7.057 0.167 1.794 1.00 0.00 O ATOM 954 CB THR A 66 7.664 0.693 4.762 1.00 0.00 C ATOM 955 OG1 THR A 66 7.760 0.101 6.054 1.00 0.00 O ATOM 956 CG2 THR A 66 7.386 2.170 5.048 1.00 0.00 C ATOM 0 H THR A 66 7.647 -1.739 3.948 1.00 0.00 H new ATOM 0 HA THR A 66 5.571 0.274 4.660 1.00 0.00 H new ATOM 0 HB THR A 66 8.533 0.606 4.110 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.511 0.500 6.542 1.00 0.00 H new ATOM 0 HG21 THR A 66 8.265 2.623 5.507 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.158 2.685 4.115 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.537 2.256 5.727 1.00 0.00 H new ATOM 964 N LEU A 67 5.077 1.040 2.454 1.00 0.00 N ATOM 965 CA LEU A 67 4.711 1.501 1.125 1.00 0.00 C ATOM 966 C LEU A 67 5.273 2.907 0.906 1.00 0.00 C ATOM 967 O LEU A 67 5.954 3.451 1.773 1.00 0.00 O ATOM 968 CB LEU A 67 3.198 1.405 0.923 1.00 0.00 C ATOM 969 CG LEU A 67 2.608 -0.007 0.935 1.00 0.00 C ATOM 970 CD1 LEU A 67 2.450 -0.547 -0.488 1.00 0.00 C ATOM 971 CD2 LEU A 67 3.442 -0.942 1.813 1.00 0.00 C ATOM 0 H LEU A 67 4.389 1.241 3.179 1.00 0.00 H new ATOM 0 HA LEU A 67 5.152 0.858 0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.709 1.988 1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.948 1.874 -0.029 1.00 0.00 H new ATOM 0 HG LEU A 67 1.611 0.043 1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.029 -1.552 -0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.784 0.105 -1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.425 -0.580 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.001 -1.939 1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.460 -0.992 1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.460 -0.562 2.835 1.00 0.00 H new ATOM 982 N HIS A 68 4.965 3.456 -0.261 1.00 0.00 N ATOM 983 CA HIS A 68 5.430 4.789 -0.606 1.00 0.00 C ATOM 984 C HIS A 68 4.265 5.613 -1.156 1.00 0.00 C ATOM 985 O HIS A 68 3.764 5.336 -2.245 1.00 0.00 O ATOM 986 CB HIS A 68 6.616 4.718 -1.571 1.00 0.00 C ATOM 987 CG HIS A 68 7.890 4.208 -0.943 1.00 0.00 C ATOM 988 ND1 HIS A 68 9.088 4.897 -1.013 1.00 0.00 N ATOM 989 CD2 HIS A 68 8.140 3.070 -0.233 1.00 0.00 C ATOM 990 CE1 HIS A 68 10.011 4.196 -0.371 1.00 0.00 C ATOM 991 NE2 HIS A 68 9.423 3.064 0.112 1.00 0.00 N ATOM 0 H HIS A 68 4.400 3.002 -0.979 1.00 0.00 H new ATOM 0 HA HIS A 68 5.795 5.294 0.289 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.352 4.072 -2.408 1.00 0.00 H new ATOM 0 HB3 HIS A 68 6.798 5.712 -1.981 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.418 2.304 0.008 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.048 4.473 -0.251 1.00 0.00 H new ATOM 0 HE2 HIS A 68 9.891 2.334 0.649 1.00 0.00 H new ATOM 998 N LEU A 69 3.868 6.610 -0.379 1.00 0.00 N ATOM 999 CA LEU A 69 2.771 7.476 -0.776 1.00 0.00 C ATOM 1000 C LEU A 69 3.330 8.697 -1.510 1.00 0.00 C ATOM 1001 O LEU A 69 4.087 9.477 -0.937 1.00 0.00 O ATOM 1002 CB LEU A 69 1.904 7.830 0.434 1.00 0.00 C ATOM 1003 CG LEU A 69 0.875 8.943 0.220 1.00 0.00 C ATOM 1004 CD1 LEU A 69 0.016 8.665 -1.015 1.00 0.00 C ATOM 1005 CD2 LEU A 69 0.024 9.153 1.474 1.00 0.00 C ATOM 0 H LEU A 69 4.286 6.837 0.523 1.00 0.00 H new ATOM 0 HA LEU A 69 2.111 6.960 -1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.376 6.931 0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.561 8.122 1.253 1.00 0.00 H new ATOM 0 HG LEU A 69 1.412 9.873 0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.707 9.471 -1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.655 8.605 -1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.513 7.721 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.698 9.949 1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.505 8.230 1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.668 9.429 2.309 1.00 0.00 H new ATOM 1016 N VAL A 70 2.934 8.823 -2.768 1.00 0.00 N ATOM 1017 CA VAL A 70 3.386 9.935 -3.587 1.00 0.00 C ATOM 1018 C VAL A 70 2.172 10.659 -4.172 1.00 0.00 C ATOM 1019 O VAL A 70 1.041 10.198 -4.027 1.00 0.00 O ATOM 1020 CB VAL A 70 4.358 9.435 -4.657 1.00 0.00 C ATOM 1021 CG1 VAL A 70 5.679 8.984 -4.030 1.00 0.00 C ATOM 1022 CG2 VAL A 70 3.731 8.312 -5.486 1.00 0.00 C ATOM 0 H VAL A 70 2.305 8.173 -3.240 1.00 0.00 H new ATOM 0 HA VAL A 70 3.934 10.657 -2.982 1.00 0.00 H new ATOM 0 HB VAL A 70 4.573 10.266 -5.329 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.352 8.633 -4.812 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.138 9.822 -3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.489 8.175 -3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.443 7.975 -6.239 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.472 7.479 -4.833 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.831 8.681 -5.977 1.00 0.00 H new ATOM 1032 N LEU A 71 2.448 11.780 -4.822 1.00 0.00 N ATOM 1033 CA LEU A 71 1.392 12.571 -5.431 1.00 0.00 C ATOM 1034 C LEU A 71 1.448 12.406 -6.950 1.00 0.00 C ATOM 1035 O LEU A 71 2.494 12.072 -7.504 1.00 0.00 O ATOM 1036 CB LEU A 71 1.478 14.027 -4.967 1.00 0.00 C ATOM 1037 CG LEU A 71 0.196 14.852 -5.103 1.00 0.00 C ATOM 1038 CD1 LEU A 71 -0.523 14.972 -3.758 1.00 0.00 C ATOM 1039 CD2 LEU A 71 0.489 16.219 -5.722 1.00 0.00 C ATOM 0 H LEU A 71 3.387 12.159 -4.940 1.00 0.00 H new ATOM 0 HA LEU A 71 0.414 12.214 -5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.783 14.037 -3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.267 14.522 -5.534 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.478 14.330 -5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.431 15.563 -3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.784 13.978 -3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.133 15.461 -3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.438 16.786 -5.808 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.189 16.763 -5.088 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.925 16.084 -6.712 1.00 0.00 H new ATOM 1050 N ARG A 72 0.309 12.648 -7.583 1.00 0.00 N ATOM 1051 CA ARG A 72 0.214 12.530 -9.027 1.00 0.00 C ATOM 1052 C ARG A 72 0.381 13.902 -9.684 1.00 0.00 C ATOM 1053 O ARG A 72 -0.133 14.900 -9.181 1.00 0.00 O ATOM 1054 CB ARG A 72 -1.131 11.932 -9.446 1.00 0.00 C ATOM 1055 CG ARG A 72 -0.979 10.459 -9.831 1.00 0.00 C ATOM 1056 CD ARG A 72 -1.985 10.069 -10.915 1.00 0.00 C ATOM 1057 NE ARG A 72 -2.516 8.713 -10.649 1.00 0.00 N ATOM 1058 CZ ARG A 72 -3.393 8.081 -11.441 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -3.843 8.679 -12.554 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -3.820 6.852 -11.122 1.00 0.00 N ATOM 0 H ARG A 72 -0.557 12.926 -7.121 1.00 0.00 H new ATOM 0 HA ARG A 72 1.012 11.865 -9.357 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.846 12.026 -8.628 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.536 12.492 -10.289 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.035 10.275 -10.188 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.126 9.832 -8.951 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.802 10.790 -10.941 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.506 10.095 -11.894 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.194 8.230 -9.810 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.518 9.615 -12.797 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.511 8.198 -13.157 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.478 6.397 -10.276 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.488 6.371 -11.725 1.00 0.00 H new ATOM 1071 N LEU A 73 1.099 13.907 -10.797 1.00 0.00 N ATOM 1072 CA LEU A 73 1.339 15.141 -11.527 1.00 0.00 C ATOM 1073 C LEU A 73 -0.002 15.751 -11.942 1.00 0.00 C ATOM 1074 O LEU A 73 -1.058 15.184 -11.667 1.00 0.00 O ATOM 1075 CB LEU A 73 2.292 14.894 -12.698 1.00 0.00 C ATOM 1076 CG LEU A 73 1.938 13.719 -13.613 1.00 0.00 C ATOM 1077 CD1 LEU A 73 2.617 12.432 -13.141 1.00 0.00 C ATOM 1078 CD2 LEU A 73 0.422 13.555 -13.735 1.00 0.00 C ATOM 0 H LEU A 73 1.522 13.077 -11.211 1.00 0.00 H new ATOM 0 HA LEU A 73 1.838 15.871 -10.889 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.336 15.800 -13.303 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.293 14.729 -12.298 1.00 0.00 H new ATOM 0 HG LEU A 73 2.319 13.937 -14.611 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.349 11.613 -13.809 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.699 12.567 -13.149 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.288 12.197 -12.129 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.199 12.713 -14.391 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.004 13.370 -12.749 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.010 14.465 -14.152 1.00 0.00 H new ATOM 1089 N ARG A 74 0.085 16.899 -12.599 1.00 0.00 N ATOM 1090 CA ARG A 74 -1.107 17.592 -13.054 1.00 0.00 C ATOM 1091 C ARG A 74 -2.150 16.587 -13.545 1.00 0.00 C ATOM 1092 O ARG A 74 -1.815 15.624 -14.234 1.00 0.00 O ATOM 1093 CB ARG A 74 -0.778 18.568 -14.185 1.00 0.00 C ATOM 1094 CG ARG A 74 0.001 17.870 -15.302 1.00 0.00 C ATOM 1095 CD ARG A 74 -0.252 18.546 -16.652 1.00 0.00 C ATOM 1096 NE ARG A 74 0.650 17.979 -17.679 1.00 0.00 N ATOM 1097 CZ ARG A 74 0.709 18.408 -18.947 1.00 0.00 C ATOM 1098 NH1 ARG A 74 -0.083 19.411 -19.352 1.00 0.00 N ATOM 1099 NH2 ARG A 74 1.558 17.835 -19.809 1.00 0.00 N ATOM 0 H ARG A 74 0.963 17.366 -12.827 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.507 18.153 -12.210 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.700 18.988 -14.587 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -0.193 19.400 -13.794 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.067 17.891 -15.075 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.293 16.822 -15.355 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.291 18.404 -16.950 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.089 19.620 -16.566 1.00 0.00 H new ATOM 0 HE ARG A 74 1.266 17.213 -17.404 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.730 19.847 -18.695 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.039 19.738 -20.317 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.160 17.072 -19.501 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.603 18.162 -20.774 1.00 0.00 H new ATOM 1110 N GLY A 75 -3.395 16.844 -13.171 1.00 0.00 N ATOM 1111 CA GLY A 75 -4.490 15.974 -13.565 1.00 0.00 C ATOM 1112 C GLY A 75 -4.995 16.327 -14.965 1.00 0.00 C ATOM 1113 O GLY A 75 -6.196 16.500 -15.170 1.00 0.00 O ATOM 0 H GLY A 75 -3.670 17.643 -12.599 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.159 14.936 -13.545 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.306 16.063 -12.847 1.00 0.00 H new ATOM 1117 N GLY A 76 -4.054 16.423 -15.892 1.00 0.00 N ATOM 1118 CA GLY A 76 -4.389 16.752 -17.267 1.00 0.00 C ATOM 1119 C GLY A 76 -4.453 18.268 -17.468 1.00 0.00 C ATOM 1120 O GLY A 76 -5.536 18.834 -17.608 1.00 0.00 O ATOM 0 H GLY A 76 -3.059 16.279 -15.718 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.645 16.324 -17.939 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.349 16.306 -17.528 1.00 0.00 H new TER 1124 GLY A 76