USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 611 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 178:sc= 0.144 USER MOD Single : A 16 HIS : no HD1:sc= -1.23 X(o=-1.2,f=-1.5) USER MOD Single : A 17 LYS NZ :NH3+ -166:sc= -1.63 (180deg=-1.65!) USER MOD Single : A 18 CYS SG : rot -80:sc= 0.973 USER MOD Single : A 28 ASN : amide:sc= -0.17 K(o=-0.17,f=-2.4!) USER MOD Single : A 30 LYS NZ :NH3+ -168:sc= 1.33 (180deg=1.07) USER MOD Single : A 33 ASN : amide:sc= -1.43 K(o=-1.4,f=-3.1!) USER MOD Single : A 34 GLN : amide:sc= -0.436 K(o=-0.44,f=-3.4!) USER MOD Single : A 35 GLN : amide:sc= -1.57! C(o=-1.6!,f=-6.5!) USER MOD Single : A 36 THR OG1 : rot -69:sc= 1.35 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0259 USER MOD Single : A 45 GLN : amide:sc=-0.000319 K(o=-0.00032,f=-0.95) USER MOD Single : A 49 ASN :FLIP amide:sc=-0.00351 F(o=-2.3,f=-0.0035) USER MOD Single : A 53 ASN : amide:sc= -2.15 K(o=-2.1,f=-6.8!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.0546 X(o=-0.055,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -174:sc= 0.829 (180deg=0.443) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 76 LYS NZ :NH3+ 165:sc= -0.0521 (180deg=-0.315) USER MOD Single : A 82 CYS SG : rot -45:sc= 0.355 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -0.273 -9.719 -10.347 1.00 0.00 N ATOM 2 CA GLY A 7 -1.407 -8.891 -10.001 1.00 0.00 C ATOM 3 C GLY A 7 -1.004 -7.797 -9.052 1.00 0.00 C ATOM 4 O GLY A 7 -1.032 -7.975 -7.839 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.833 -8.455 -10.905 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.185 -9.504 -9.546 1.00 0.00 H new ATOM 8 N GLU A 8 -0.556 -6.692 -9.606 1.00 0.00 N ATOM 9 CA GLU A 8 -0.074 -5.583 -8.812 1.00 0.00 C ATOM 10 C GLU A 8 -1.173 -4.553 -8.567 1.00 0.00 C ATOM 11 O GLU A 8 -1.264 -3.560 -9.289 1.00 0.00 O ATOM 12 CB GLU A 8 1.126 -4.926 -9.498 1.00 0.00 C ATOM 13 CG GLU A 8 2.288 -5.877 -9.773 1.00 0.00 C ATOM 14 CD GLU A 8 2.016 -6.859 -10.895 1.00 0.00 C ATOM 15 OE1 GLU A 8 1.871 -6.420 -12.053 1.00 0.00 O ATOM 16 OE2 GLU A 8 1.943 -8.075 -10.624 1.00 0.00 O ATOM 0 H GLU A 8 -0.515 -6.537 -10.613 1.00 0.00 H new ATOM 0 HA GLU A 8 0.238 -5.974 -7.843 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.797 -4.490 -10.441 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.482 -4.106 -8.875 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.174 -5.292 -10.020 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.516 -6.432 -8.863 1.00 0.00 H new ATOM 23 N MET A 9 -2.001 -4.777 -7.556 1.00 0.00 N ATOM 24 CA MET A 9 -3.058 -3.829 -7.228 1.00 0.00 C ATOM 25 C MET A 9 -2.455 -2.584 -6.598 1.00 0.00 C ATOM 26 O MET A 9 -1.643 -2.674 -5.678 1.00 0.00 O ATOM 27 CB MET A 9 -4.094 -4.456 -6.291 1.00 0.00 C ATOM 28 CG MET A 9 -5.208 -5.206 -7.012 1.00 0.00 C ATOM 29 SD MET A 9 -4.604 -6.540 -8.065 1.00 0.00 S ATOM 30 CE MET A 9 -6.145 -7.194 -8.705 1.00 0.00 C ATOM 0 H MET A 9 -1.963 -5.599 -6.953 1.00 0.00 H new ATOM 0 HA MET A 9 -3.570 -3.552 -8.149 1.00 0.00 H new ATOM 0 HB2 MET A 9 -3.587 -5.143 -5.613 1.00 0.00 H new ATOM 0 HB3 MET A 9 -4.536 -3.671 -5.678 1.00 0.00 H new ATOM 0 HG2 MET A 9 -5.896 -5.618 -6.274 1.00 0.00 H new ATOM 0 HG3 MET A 9 -5.777 -4.502 -7.619 1.00 0.00 H new ATOM 0 HE1 MET A 9 -5.936 -8.028 -9.375 1.00 0.00 H new ATOM 0 HE2 MET A 9 -6.765 -7.539 -7.878 1.00 0.00 H new ATOM 0 HE3 MET A 9 -6.672 -6.413 -9.252 1.00 0.00 H new ATOM 40 N THR A 10 -2.839 -1.425 -7.106 1.00 0.00 N ATOM 41 CA THR A 10 -2.237 -0.180 -6.666 1.00 0.00 C ATOM 42 C THR A 10 -3.243 0.707 -5.936 1.00 0.00 C ATOM 43 O THR A 10 -4.350 0.952 -6.426 1.00 0.00 O ATOM 44 CB THR A 10 -1.642 0.585 -7.859 1.00 0.00 C ATOM 45 OG1 THR A 10 -0.847 -0.305 -8.653 1.00 0.00 O ATOM 46 CG2 THR A 10 -0.779 1.746 -7.393 1.00 0.00 C ATOM 0 H THR A 10 -3.561 -1.321 -7.819 1.00 0.00 H new ATOM 0 HA THR A 10 -1.440 -0.436 -5.968 1.00 0.00 H new ATOM 0 HB THR A 10 -2.466 0.982 -8.452 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.470 0.184 -9.414 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.372 2.268 -8.259 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.384 2.436 -6.805 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.039 1.368 -6.780 1.00 0.00 H new ATOM 54 N PHE A 11 -2.839 1.189 -4.769 1.00 0.00 N ATOM 55 CA PHE A 11 -3.668 2.061 -3.944 1.00 0.00 C ATOM 56 C PHE A 11 -2.955 3.394 -3.751 1.00 0.00 C ATOM 57 O PHE A 11 -1.857 3.582 -4.267 1.00 0.00 O ATOM 58 CB PHE A 11 -3.942 1.409 -2.582 1.00 0.00 C ATOM 59 CG PHE A 11 -4.641 0.080 -2.672 1.00 0.00 C ATOM 60 CD1 PHE A 11 -6.024 0.011 -2.684 1.00 0.00 C ATOM 61 CD2 PHE A 11 -3.915 -1.097 -2.746 1.00 0.00 C ATOM 62 CE1 PHE A 11 -6.670 -1.208 -2.767 1.00 0.00 C ATOM 63 CE2 PHE A 11 -4.555 -2.319 -2.829 1.00 0.00 C ATOM 64 CZ PHE A 11 -5.934 -2.375 -2.840 1.00 0.00 C ATOM 0 H PHE A 11 -1.924 0.987 -4.365 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.623 2.226 -4.443 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.996 1.276 -2.057 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.548 2.087 -1.981 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.604 0.920 -2.628 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.836 -1.059 -2.739 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.749 -1.248 -2.775 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.977 -3.229 -2.885 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.437 -3.329 -2.906 1.00 0.00 H new ATOM 74 N SER A 12 -3.571 4.318 -3.029 1.00 0.00 N ATOM 75 CA SER A 12 -2.957 5.614 -2.774 1.00 0.00 C ATOM 76 C SER A 12 -2.543 5.759 -1.306 1.00 0.00 C ATOM 77 O SER A 12 -3.377 5.683 -0.401 1.00 0.00 O ATOM 78 CB SER A 12 -3.919 6.735 -3.177 1.00 0.00 C ATOM 79 OG SER A 12 -5.244 6.451 -2.754 1.00 0.00 O ATOM 0 H SER A 12 -4.493 4.196 -2.610 1.00 0.00 H new ATOM 0 HA SER A 12 -2.052 5.687 -3.377 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.588 7.677 -2.739 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.899 6.863 -4.259 1.00 0.00 H new ATOM 0 HG SER A 12 -5.837 7.183 -3.023 1.00 0.00 H new ATOM 85 N ILE A 13 -1.249 5.961 -1.081 1.00 0.00 N ATOM 86 CA ILE A 13 -0.716 6.152 0.260 1.00 0.00 C ATOM 87 C ILE A 13 -0.200 7.576 0.435 1.00 0.00 C ATOM 88 O ILE A 13 0.747 8.001 -0.228 1.00 0.00 O ATOM 89 CB ILE A 13 0.420 5.148 0.579 1.00 0.00 C ATOM 90 CG1 ILE A 13 -0.155 3.757 0.869 1.00 0.00 C ATOM 91 CG2 ILE A 13 1.266 5.627 1.755 1.00 0.00 C ATOM 92 CD1 ILE A 13 -0.938 3.681 2.167 1.00 0.00 C ATOM 0 H ILE A 13 -0.546 5.997 -1.819 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.535 5.972 0.957 1.00 0.00 H new ATOM 0 HB ILE A 13 1.064 5.085 -0.298 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.805 3.463 0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.662 3.036 0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.055 4.902 1.955 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.713 6.591 1.513 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.636 5.730 2.638 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.315 2.668 2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.287 3.944 3.001 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.776 4.377 2.128 1.00 0.00 H new ATOM 104 N PRO A 14 -0.854 8.337 1.313 1.00 0.00 N ATOM 105 CA PRO A 14 -0.427 9.690 1.678 1.00 0.00 C ATOM 106 C PRO A 14 1.043 9.764 2.068 1.00 0.00 C ATOM 107 O PRO A 14 1.527 8.961 2.868 1.00 0.00 O ATOM 108 CB PRO A 14 -1.289 9.977 2.896 1.00 0.00 C ATOM 109 CG PRO A 14 -2.546 9.242 2.620 1.00 0.00 C ATOM 110 CD PRO A 14 -2.095 7.950 2.008 1.00 0.00 C ATOM 0 HA PRO A 14 -0.536 10.392 0.851 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.815 9.628 3.813 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.468 11.045 3.017 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.116 9.072 3.534 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.192 9.799 1.941 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.915 7.185 2.763 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.837 7.548 1.318 1.00 0.00 H new ATOM 118 N THR A 15 1.732 10.756 1.525 1.00 0.00 N ATOM 119 CA THR A 15 3.146 10.952 1.788 1.00 0.00 C ATOM 120 C THR A 15 3.407 11.244 3.271 1.00 0.00 C ATOM 121 O THR A 15 4.476 10.949 3.785 1.00 0.00 O ATOM 122 CB THR A 15 3.703 12.095 0.913 1.00 0.00 C ATOM 123 OG1 THR A 15 3.274 11.901 -0.442 1.00 0.00 O ATOM 124 CG2 THR A 15 5.224 12.131 0.958 1.00 0.00 C ATOM 0 H THR A 15 1.326 11.445 0.892 1.00 0.00 H new ATOM 0 HA THR A 15 3.662 10.026 1.533 1.00 0.00 H new ATOM 0 HB THR A 15 3.326 13.042 1.300 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.598 12.641 -0.997 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.587 12.946 0.332 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.554 12.287 1.985 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.621 11.186 0.589 1.00 0.00 H new ATOM 132 N HIS A 16 2.421 11.805 3.966 1.00 0.00 N ATOM 133 CA HIS A 16 2.575 12.067 5.397 1.00 0.00 C ATOM 134 C HIS A 16 2.418 10.780 6.211 1.00 0.00 C ATOM 135 O HIS A 16 2.808 10.720 7.376 1.00 0.00 O ATOM 136 CB HIS A 16 1.580 13.137 5.884 1.00 0.00 C ATOM 137 CG HIS A 16 0.147 12.696 5.911 1.00 0.00 C ATOM 138 ND1 HIS A 16 -0.704 12.842 4.840 1.00 0.00 N ATOM 139 CD2 HIS A 16 -0.586 12.113 6.889 1.00 0.00 C ATOM 140 CE1 HIS A 16 -1.893 12.374 5.157 1.00 0.00 C ATOM 141 NE2 HIS A 16 -1.848 11.926 6.394 1.00 0.00 N ATOM 0 H HIS A 16 1.522 12.083 3.572 1.00 0.00 H new ATOM 0 HA HIS A 16 3.583 12.451 5.551 1.00 0.00 H new ATOM 0 HB2 HIS A 16 1.868 13.451 6.887 1.00 0.00 H new ATOM 0 HB3 HIS A 16 1.664 14.012 5.239 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -0.239 11.845 7.876 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -2.759 12.360 4.511 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -2.628 11.507 6.901 1.00 0.00 H new ATOM 150 N LYS A 17 1.835 9.751 5.603 1.00 0.00 N ATOM 151 CA LYS A 17 1.671 8.469 6.282 1.00 0.00 C ATOM 152 C LYS A 17 2.747 7.478 5.855 1.00 0.00 C ATOM 153 O LYS A 17 2.733 6.314 6.275 1.00 0.00 O ATOM 154 CB LYS A 17 0.283 7.879 6.016 1.00 0.00 C ATOM 155 CG LYS A 17 -0.843 8.779 6.491 1.00 0.00 C ATOM 156 CD LYS A 17 -2.151 8.032 6.686 1.00 0.00 C ATOM 157 CE LYS A 17 -2.571 7.267 5.446 1.00 0.00 C ATOM 158 NZ LYS A 17 -4.051 7.163 5.342 1.00 0.00 N ATOM 0 H LYS A 17 1.471 9.778 4.650 1.00 0.00 H new ATOM 0 HA LYS A 17 1.773 8.652 7.352 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.170 7.697 4.947 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.203 6.913 6.514 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.554 9.249 7.431 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.992 9.580 5.767 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.049 7.338 7.520 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.934 8.741 6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.178 7.765 4.560 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.136 6.268 5.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.300 6.446 4.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.445 6.887 6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.445 8.083 5.059 1.00 0.00 H new ATOM 172 N CYS A 18 3.704 7.949 5.058 1.00 0.00 N ATOM 173 CA CYS A 18 4.765 7.089 4.546 1.00 0.00 C ATOM 174 C CYS A 18 5.754 6.714 5.650 1.00 0.00 C ATOM 175 O CYS A 18 6.785 6.099 5.394 1.00 0.00 O ATOM 176 CB CYS A 18 5.500 7.750 3.375 1.00 0.00 C ATOM 177 SG CYS A 18 6.594 9.109 3.847 1.00 0.00 S ATOM 0 H CYS A 18 3.765 8.921 4.754 1.00 0.00 H new ATOM 0 HA CYS A 18 4.295 6.175 4.182 1.00 0.00 H new ATOM 0 HB2 CYS A 18 6.087 6.992 2.856 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.763 8.124 2.665 1.00 0.00 H new ATOM 0 HG CYS A 18 5.893 10.189 4.025 1.00 0.00 H new ATOM 183 N GLY A 19 5.432 7.084 6.879 1.00 0.00 N ATOM 184 CA GLY A 19 6.263 6.710 7.994 1.00 0.00 C ATOM 185 C GLY A 19 5.592 5.714 8.920 1.00 0.00 C ATOM 186 O GLY A 19 6.258 4.852 9.485 1.00 0.00 O ATOM 0 H GLY A 19 4.609 7.637 7.121 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.193 6.282 7.620 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.528 7.603 8.560 1.00 0.00 H new ATOM 190 N LEU A 20 4.271 5.809 9.070 1.00 0.00 N ATOM 191 CA LEU A 20 3.564 4.945 10.010 1.00 0.00 C ATOM 192 C LEU A 20 3.294 3.568 9.403 1.00 0.00 C ATOM 193 O LEU A 20 3.280 2.564 10.115 1.00 0.00 O ATOM 194 CB LEU A 20 2.264 5.605 10.509 1.00 0.00 C ATOM 195 CG LEU A 20 1.158 5.827 9.474 1.00 0.00 C ATOM 196 CD1 LEU A 20 0.165 4.680 9.507 1.00 0.00 C ATOM 197 CD2 LEU A 20 0.445 7.145 9.731 1.00 0.00 C ATOM 0 H LEU A 20 3.678 6.465 8.561 1.00 0.00 H new ATOM 0 HA LEU A 20 4.211 4.801 10.876 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.858 4.990 11.312 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.520 6.571 10.945 1.00 0.00 H new ATOM 0 HG LEU A 20 1.615 5.866 8.485 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.615 4.853 8.766 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.680 3.746 9.281 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.284 4.616 10.498 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.338 7.286 8.986 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.001 7.130 10.726 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.161 7.965 9.665 1.00 0.00 H new ATOM 209 N VAL A 21 3.085 3.513 8.090 1.00 0.00 N ATOM 210 CA VAL A 21 2.858 2.227 7.423 1.00 0.00 C ATOM 211 C VAL A 21 4.103 1.771 6.690 1.00 0.00 C ATOM 212 O VAL A 21 4.317 0.581 6.480 1.00 0.00 O ATOM 213 CB VAL A 21 1.720 2.279 6.385 1.00 0.00 C ATOM 214 CG1 VAL A 21 0.710 1.178 6.640 1.00 0.00 C ATOM 215 CG2 VAL A 21 1.051 3.638 6.364 1.00 0.00 C ATOM 0 H VAL A 21 3.067 4.325 7.474 1.00 0.00 H new ATOM 0 HA VAL A 21 2.588 1.535 8.220 1.00 0.00 H new ATOM 0 HB VAL A 21 2.159 2.116 5.401 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.084 1.234 5.896 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.204 0.209 6.572 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.283 1.299 7.636 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.253 3.639 5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.632 3.852 7.347 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.786 4.401 6.109 1.00 0.00 H new ATOM 225 N ILE A 22 4.911 2.731 6.289 1.00 0.00 N ATOM 226 CA ILE A 22 6.031 2.456 5.416 1.00 0.00 C ATOM 227 C ILE A 22 7.331 2.388 6.211 1.00 0.00 C ATOM 228 O ILE A 22 8.115 1.448 6.065 1.00 0.00 O ATOM 229 CB ILE A 22 6.146 3.514 4.283 1.00 0.00 C ATOM 230 CG1 ILE A 22 4.893 3.533 3.378 1.00 0.00 C ATOM 231 CG2 ILE A 22 7.382 3.255 3.436 1.00 0.00 C ATOM 232 CD1 ILE A 22 3.609 4.034 4.028 1.00 0.00 C ATOM 0 H ILE A 22 4.812 3.711 6.555 1.00 0.00 H new ATOM 0 HA ILE A 22 5.853 1.486 4.951 1.00 0.00 H new ATOM 0 HB ILE A 22 6.229 4.489 4.764 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.105 4.157 2.510 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.720 2.522 3.009 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.447 4.005 2.648 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.271 3.311 4.064 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.315 2.263 2.989 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.797 4.003 3.301 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.359 3.399 4.878 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.751 5.059 4.371 1.00 0.00 H new ATOM 244 N GLY A 23 7.540 3.370 7.074 1.00 0.00 N ATOM 245 CA GLY A 23 8.726 3.392 7.900 1.00 0.00 C ATOM 246 C GLY A 23 9.902 4.007 7.173 1.00 0.00 C ATOM 247 O GLY A 23 9.766 5.046 6.532 1.00 0.00 O ATOM 0 H GLY A 23 6.905 4.156 7.217 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.525 3.957 8.810 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.977 2.376 8.204 1.00 0.00 H new ATOM 251 N ARG A 24 11.057 3.368 7.276 1.00 0.00 N ATOM 252 CA ARG A 24 12.238 3.805 6.546 1.00 0.00 C ATOM 253 C ARG A 24 12.300 3.099 5.191 1.00 0.00 C ATOM 254 O ARG A 24 12.680 1.931 5.105 1.00 0.00 O ATOM 255 CB ARG A 24 13.511 3.532 7.366 1.00 0.00 C ATOM 256 CG ARG A 24 13.669 2.083 7.804 1.00 0.00 C ATOM 257 CD ARG A 24 14.993 1.846 8.509 1.00 0.00 C ATOM 258 NE ARG A 24 15.171 0.442 8.876 1.00 0.00 N ATOM 259 CZ ARG A 24 15.860 0.025 9.933 1.00 0.00 C ATOM 260 NH1 ARG A 24 16.439 0.899 10.749 1.00 0.00 N ATOM 261 NH2 ARG A 24 15.962 -1.275 10.176 1.00 0.00 N ATOM 0 H ARG A 24 11.202 2.544 7.859 1.00 0.00 H new ATOM 0 HA ARG A 24 12.173 4.880 6.376 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.380 3.818 6.774 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.504 4.169 8.250 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.850 1.814 8.470 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.599 1.431 6.933 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.811 2.158 7.860 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.043 2.465 9.405 1.00 0.00 H new ATOM 0 HE ARG A 24 14.738 -0.264 8.281 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.357 1.899 10.567 1.00 0.00 H new ATOM 0 HH12 ARG A 24 16.966 0.570 11.558 1.00 0.00 H new ATOM 0 HH21 ARG A 24 15.513 -1.947 9.553 1.00 0.00 H new ATOM 0 HH22 ARG A 24 16.489 -1.603 10.985 1.00 0.00 H new ATOM 275 N GLY A 25 11.878 3.797 4.143 1.00 0.00 N ATOM 276 CA GLY A 25 11.884 3.223 2.806 1.00 0.00 C ATOM 277 C GLY A 25 10.747 2.238 2.594 1.00 0.00 C ATOM 278 O GLY A 25 9.972 2.359 1.644 1.00 0.00 O ATOM 0 H GLY A 25 11.530 4.754 4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.810 4.023 2.070 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.835 2.719 2.634 1.00 0.00 H new ATOM 282 N GLY A 26 10.667 1.250 3.474 1.00 0.00 N ATOM 283 CA GLY A 26 9.578 0.294 3.448 1.00 0.00 C ATOM 284 C GLY A 26 9.786 -0.821 4.457 1.00 0.00 C ATOM 285 O GLY A 26 9.446 -1.977 4.202 1.00 0.00 O ATOM 0 H GLY A 26 11.348 1.092 4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.639 0.806 3.660 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.491 -0.131 2.448 1.00 0.00 H new ATOM 289 N GLU A 27 10.332 -0.461 5.614 1.00 0.00 N ATOM 290 CA GLU A 27 10.658 -1.427 6.656 1.00 0.00 C ATOM 291 C GLU A 27 9.383 -2.009 7.256 1.00 0.00 C ATOM 292 O GLU A 27 9.301 -3.205 7.536 1.00 0.00 O ATOM 293 CB GLU A 27 11.483 -0.751 7.752 1.00 0.00 C ATOM 294 CG GLU A 27 12.139 -1.717 8.726 1.00 0.00 C ATOM 295 CD GLU A 27 13.272 -2.500 8.095 1.00 0.00 C ATOM 296 OE1 GLU A 27 14.318 -1.888 7.789 1.00 0.00 O ATOM 297 OE2 GLU A 27 13.126 -3.725 7.905 1.00 0.00 O ATOM 0 H GLU A 27 10.560 0.504 5.855 1.00 0.00 H new ATOM 0 HA GLU A 27 11.240 -2.236 6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.257 -0.142 7.285 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.838 -0.073 8.310 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.519 -1.161 9.583 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.389 -2.411 9.104 1.00 0.00 H new ATOM 304 N ASN A 28 8.385 -1.152 7.438 1.00 0.00 N ATOM 305 CA ASN A 28 7.113 -1.570 8.018 1.00 0.00 C ATOM 306 C ASN A 28 6.292 -2.314 6.976 1.00 0.00 C ATOM 307 O ASN A 28 5.468 -3.169 7.303 1.00 0.00 O ATOM 308 CB ASN A 28 6.317 -0.361 8.545 1.00 0.00 C ATOM 309 CG ASN A 28 7.012 0.368 9.684 1.00 0.00 C ATOM 310 OD1 ASN A 28 8.238 0.378 9.786 1.00 0.00 O ATOM 311 ND2 ASN A 28 6.227 1.001 10.545 1.00 0.00 N ATOM 0 H ASN A 28 8.432 -0.163 7.192 1.00 0.00 H new ATOM 0 HA ASN A 28 7.323 -2.231 8.859 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.147 0.338 7.726 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.338 -0.699 8.884 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.636 1.518 11.323 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.214 0.971 10.429 1.00 0.00 H new ATOM 318 N VAL A 29 6.553 -2.001 5.717 1.00 0.00 N ATOM 319 CA VAL A 29 5.812 -2.576 4.608 1.00 0.00 C ATOM 320 C VAL A 29 6.181 -4.042 4.393 1.00 0.00 C ATOM 321 O VAL A 29 5.332 -4.865 4.042 1.00 0.00 O ATOM 322 CB VAL A 29 6.055 -1.783 3.310 1.00 0.00 C ATOM 323 CG1 VAL A 29 5.254 -2.359 2.165 1.00 0.00 C ATOM 324 CG2 VAL A 29 5.712 -0.319 3.512 1.00 0.00 C ATOM 0 H VAL A 29 7.281 -1.344 5.437 1.00 0.00 H new ATOM 0 HA VAL A 29 4.754 -2.519 4.864 1.00 0.00 H new ATOM 0 HB VAL A 29 7.112 -1.863 3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.444 -1.781 1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.548 -3.396 2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.192 -2.317 2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.889 0.227 2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.663 -0.226 3.793 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.337 0.095 4.303 1.00 0.00 H new ATOM 334 N LYS A 30 7.443 -4.378 4.627 1.00 0.00 N ATOM 335 CA LYS A 30 7.893 -5.751 4.447 1.00 0.00 C ATOM 336 C LYS A 30 7.289 -6.653 5.525 1.00 0.00 C ATOM 337 O LYS A 30 7.218 -7.872 5.364 1.00 0.00 O ATOM 338 CB LYS A 30 9.424 -5.840 4.460 1.00 0.00 C ATOM 339 CG LYS A 30 10.033 -5.976 5.845 1.00 0.00 C ATOM 340 CD LYS A 30 11.535 -6.190 5.772 1.00 0.00 C ATOM 341 CE LYS A 30 12.070 -6.835 7.040 1.00 0.00 C ATOM 342 NZ LYS A 30 11.830 -5.999 8.242 1.00 0.00 N ATOM 0 H LYS A 30 8.165 -3.728 4.938 1.00 0.00 H new ATOM 0 HA LYS A 30 7.550 -6.095 3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.731 -6.694 3.856 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.832 -4.949 3.983 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.820 -5.080 6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.570 -6.813 6.367 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.772 -6.820 4.915 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.032 -5.233 5.612 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.598 -7.808 7.177 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.140 -7.012 6.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.382 -6.373 9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.121 -5.020 8.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.818 -6.018 8.482 1.00 0.00 H new ATOM 356 N ALA A 31 6.843 -6.047 6.623 1.00 0.00 N ATOM 357 CA ALA A 31 6.165 -6.792 7.673 1.00 0.00 C ATOM 358 C ALA A 31 4.730 -7.083 7.264 1.00 0.00 C ATOM 359 O ALA A 31 4.155 -8.089 7.664 1.00 0.00 O ATOM 360 CB ALA A 31 6.198 -6.043 8.991 1.00 0.00 C ATOM 0 H ALA A 31 6.939 -5.048 6.805 1.00 0.00 H new ATOM 0 HA ALA A 31 6.693 -7.735 7.814 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.683 -6.627 9.754 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.233 -5.884 9.293 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.702 -5.080 8.875 1.00 0.00 H new ATOM 366 N ILE A 32 4.152 -6.199 6.461 1.00 0.00 N ATOM 367 CA ILE A 32 2.835 -6.446 5.890 1.00 0.00 C ATOM 368 C ILE A 32 2.891 -7.716 5.052 1.00 0.00 C ATOM 369 O ILE A 32 2.027 -8.588 5.143 1.00 0.00 O ATOM 370 CB ILE A 32 2.374 -5.282 4.988 1.00 0.00 C ATOM 371 CG1 ILE A 32 2.600 -3.936 5.677 1.00 0.00 C ATOM 372 CG2 ILE A 32 0.907 -5.451 4.626 1.00 0.00 C ATOM 373 CD1 ILE A 32 2.395 -2.751 4.757 1.00 0.00 C ATOM 0 H ILE A 32 4.572 -5.309 6.192 1.00 0.00 H new ATOM 0 HA ILE A 32 2.125 -6.545 6.711 1.00 0.00 H new ATOM 0 HB ILE A 32 2.968 -5.299 4.074 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.920 -3.851 6.525 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.614 -3.906 6.077 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.592 -4.624 3.989 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.770 -6.392 4.093 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.306 -5.458 5.535 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.571 -1.827 5.309 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.093 -2.814 3.922 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.373 -2.758 4.377 1.00 0.00 H new ATOM 385 N ASN A 33 3.949 -7.807 4.254 1.00 0.00 N ATOM 386 CA ASN A 33 4.201 -8.966 3.405 1.00 0.00 C ATOM 387 C ASN A 33 4.299 -10.241 4.241 1.00 0.00 C ATOM 388 O ASN A 33 3.612 -11.220 3.964 1.00 0.00 O ATOM 389 CB ASN A 33 5.506 -8.748 2.622 1.00 0.00 C ATOM 390 CG ASN A 33 5.826 -9.850 1.620 1.00 0.00 C ATOM 391 OD1 ASN A 33 5.434 -11.005 1.777 1.00 0.00 O ATOM 392 ND2 ASN A 33 6.569 -9.495 0.583 1.00 0.00 N ATOM 0 H ASN A 33 4.658 -7.078 4.177 1.00 0.00 H new ATOM 0 HA ASN A 33 3.370 -9.080 2.709 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.444 -7.798 2.092 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.331 -8.665 3.329 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.833 -10.189 -0.116 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.877 -8.528 0.484 1.00 0.00 H new ATOM 399 N GLN A 34 5.136 -10.217 5.279 1.00 0.00 N ATOM 400 CA GLN A 34 5.376 -11.409 6.094 1.00 0.00 C ATOM 401 C GLN A 34 4.095 -11.876 6.783 1.00 0.00 C ATOM 402 O GLN A 34 3.921 -13.065 7.054 1.00 0.00 O ATOM 403 CB GLN A 34 6.475 -11.145 7.129 1.00 0.00 C ATOM 404 CG GLN A 34 6.033 -10.327 8.329 1.00 0.00 C ATOM 405 CD GLN A 34 7.151 -10.128 9.328 1.00 0.00 C ATOM 406 OE1 GLN A 34 7.896 -9.151 9.254 1.00 0.00 O ATOM 407 NE2 GLN A 34 7.283 -11.055 10.258 1.00 0.00 N ATOM 0 H GLN A 34 5.656 -9.391 5.574 1.00 0.00 H new ATOM 0 HA GLN A 34 5.710 -12.205 5.428 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.861 -12.102 7.481 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.300 -10.629 6.639 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.673 -9.355 7.991 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.196 -10.825 8.818 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.642 -11.848 10.282 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.026 -10.978 10.953 1.00 0.00 H new ATOM 416 N GLN A 35 3.202 -10.936 7.053 1.00 0.00 N ATOM 417 CA GLN A 35 1.920 -11.256 7.669 1.00 0.00 C ATOM 418 C GLN A 35 0.933 -11.799 6.648 1.00 0.00 C ATOM 419 O GLN A 35 0.007 -12.530 6.991 1.00 0.00 O ATOM 420 CB GLN A 35 1.308 -10.020 8.328 1.00 0.00 C ATOM 421 CG GLN A 35 2.126 -9.459 9.472 1.00 0.00 C ATOM 422 CD GLN A 35 2.215 -10.395 10.664 1.00 0.00 C ATOM 423 OE1 GLN A 35 2.174 -11.620 10.526 1.00 0.00 O ATOM 424 NE2 GLN A 35 2.327 -9.824 11.848 1.00 0.00 N ATOM 0 H GLN A 35 3.340 -9.945 6.856 1.00 0.00 H new ATOM 0 HA GLN A 35 2.114 -12.019 8.423 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.180 -9.245 7.573 1.00 0.00 H new ATOM 0 HB3 GLN A 35 0.314 -10.273 8.696 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.132 -9.239 9.116 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.688 -8.514 9.793 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.358 -8.807 11.923 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.383 -10.399 12.688 1.00 0.00 H new ATOM 433 N THR A 36 1.123 -11.430 5.393 1.00 0.00 N ATOM 434 CA THR A 36 0.145 -11.734 4.367 1.00 0.00 C ATOM 435 C THR A 36 0.634 -12.778 3.366 1.00 0.00 C ATOM 436 O THR A 36 0.243 -13.944 3.430 1.00 0.00 O ATOM 437 CB THR A 36 -0.261 -10.447 3.632 1.00 0.00 C ATOM 438 OG1 THR A 36 0.892 -9.802 3.079 1.00 0.00 O ATOM 439 CG2 THR A 36 -0.951 -9.504 4.596 1.00 0.00 C ATOM 0 H THR A 36 1.943 -10.921 5.062 1.00 0.00 H new ATOM 0 HA THR A 36 -0.720 -12.164 4.872 1.00 0.00 H new ATOM 0 HB THR A 36 -0.943 -10.708 2.823 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.447 -9.447 3.804 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.237 -8.593 4.071 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.842 -9.985 5.001 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.271 -9.255 5.411 1.00 0.00 H new ATOM 447 N GLY A 37 1.502 -12.361 2.462 1.00 0.00 N ATOM 448 CA GLY A 37 1.950 -13.229 1.397 1.00 0.00 C ATOM 449 C GLY A 37 2.239 -12.452 0.134 1.00 0.00 C ATOM 450 O GLY A 37 3.009 -12.894 -0.718 1.00 0.00 O ATOM 0 H GLY A 37 1.909 -11.426 2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.848 -13.760 1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.189 -13.983 1.196 1.00 0.00 H new ATOM 454 N ALA A 38 1.614 -11.287 0.011 1.00 0.00 N ATOM 455 CA ALA A 38 1.795 -10.451 -1.164 1.00 0.00 C ATOM 456 C ALA A 38 2.949 -9.488 -0.968 1.00 0.00 C ATOM 457 O ALA A 38 3.246 -9.081 0.154 1.00 0.00 O ATOM 458 CB ALA A 38 0.531 -9.674 -1.481 1.00 0.00 C ATOM 0 H ALA A 38 0.979 -10.902 0.711 1.00 0.00 H new ATOM 0 HA ALA A 38 2.021 -11.110 -2.003 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.695 -9.057 -2.365 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.286 -10.370 -1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.275 -9.036 -0.635 1.00 0.00 H new ATOM 464 N PHE A 39 3.578 -9.111 -2.064 1.00 0.00 N ATOM 465 CA PHE A 39 4.725 -8.228 -2.017 1.00 0.00 C ATOM 466 C PHE A 39 4.274 -6.783 -2.163 1.00 0.00 C ATOM 467 O PHE A 39 3.843 -6.362 -3.237 1.00 0.00 O ATOM 468 CB PHE A 39 5.700 -8.587 -3.132 1.00 0.00 C ATOM 469 CG PHE A 39 7.065 -7.984 -2.958 1.00 0.00 C ATOM 470 CD1 PHE A 39 7.350 -6.717 -3.438 1.00 0.00 C ATOM 471 CD2 PHE A 39 8.066 -8.692 -2.312 1.00 0.00 C ATOM 472 CE1 PHE A 39 8.607 -6.166 -3.274 1.00 0.00 C ATOM 473 CE2 PHE A 39 9.323 -8.146 -2.145 1.00 0.00 C ATOM 474 CZ PHE A 39 9.594 -6.881 -2.627 1.00 0.00 C ATOM 0 H PHE A 39 3.311 -9.405 -3.003 1.00 0.00 H new ATOM 0 HA PHE A 39 5.226 -8.345 -1.056 1.00 0.00 H new ATOM 0 HB2 PHE A 39 5.796 -9.672 -3.184 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.286 -8.258 -4.085 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.582 -6.153 -3.946 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.860 -9.683 -1.935 1.00 0.00 H new ATOM 0 HE1 PHE A 39 8.817 -5.176 -3.652 1.00 0.00 H new ATOM 0 HE2 PHE A 39 10.093 -8.708 -1.638 1.00 0.00 H new ATOM 0 HZ PHE A 39 10.577 -6.452 -2.498 1.00 0.00 H new ATOM 484 N VAL A 40 4.364 -6.034 -1.081 1.00 0.00 N ATOM 485 CA VAL A 40 3.979 -4.635 -1.099 1.00 0.00 C ATOM 486 C VAL A 40 5.204 -3.758 -1.344 1.00 0.00 C ATOM 487 O VAL A 40 6.201 -3.837 -0.624 1.00 0.00 O ATOM 488 CB VAL A 40 3.271 -4.224 0.214 1.00 0.00 C ATOM 489 CG1 VAL A 40 2.687 -2.829 0.097 1.00 0.00 C ATOM 490 CG2 VAL A 40 2.186 -5.223 0.575 1.00 0.00 C ATOM 0 H VAL A 40 4.700 -6.370 -0.179 1.00 0.00 H new ATOM 0 HA VAL A 40 3.269 -4.491 -1.914 1.00 0.00 H new ATOM 0 HB VAL A 40 4.015 -4.220 1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.194 -2.561 1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.486 -2.116 -0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.961 -2.805 -0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.701 -4.915 1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.447 -5.263 -0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.630 -6.210 0.709 1.00 0.00 H new ATOM 500 N GLU A 41 5.121 -2.948 -2.386 1.00 0.00 N ATOM 501 CA GLU A 41 6.202 -2.058 -2.781 1.00 0.00 C ATOM 502 C GLU A 41 5.648 -0.671 -3.112 1.00 0.00 C ATOM 503 O GLU A 41 4.450 -0.428 -2.975 1.00 0.00 O ATOM 504 CB GLU A 41 6.971 -2.644 -3.974 1.00 0.00 C ATOM 505 CG GLU A 41 6.129 -3.498 -4.914 1.00 0.00 C ATOM 506 CD GLU A 41 6.900 -3.931 -6.142 1.00 0.00 C ATOM 507 OE1 GLU A 41 6.950 -3.156 -7.116 1.00 0.00 O ATOM 508 OE2 GLU A 41 7.475 -5.040 -6.135 1.00 0.00 O ATOM 0 H GLU A 41 4.298 -2.888 -2.985 1.00 0.00 H new ATOM 0 HA GLU A 41 6.899 -1.958 -1.949 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.410 -1.825 -4.544 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.796 -3.248 -3.596 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.775 -4.380 -4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.247 -2.935 -5.221 1.00 0.00 H new ATOM 515 N ILE A 42 6.514 0.239 -3.545 1.00 0.00 N ATOM 516 CA ILE A 42 6.114 1.626 -3.775 1.00 0.00 C ATOM 517 C ILE A 42 5.890 1.864 -5.265 1.00 0.00 C ATOM 518 O ILE A 42 6.640 1.351 -6.097 1.00 0.00 O ATOM 519 CB ILE A 42 7.184 2.635 -3.280 1.00 0.00 C ATOM 520 CG1 ILE A 42 8.033 2.052 -2.138 1.00 0.00 C ATOM 521 CG2 ILE A 42 6.516 3.932 -2.829 1.00 0.00 C ATOM 522 CD1 ILE A 42 7.268 1.780 -0.861 1.00 0.00 C ATOM 0 H ILE A 42 7.495 0.044 -3.744 1.00 0.00 H new ATOM 0 HA ILE A 42 5.195 1.787 -3.212 1.00 0.00 H new ATOM 0 HB ILE A 42 7.852 2.844 -4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.488 1.122 -2.479 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.847 2.743 -1.918 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.277 4.632 -2.484 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.972 4.371 -3.665 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.822 3.720 -2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.945 1.371 -0.111 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.836 2.710 -0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.471 1.063 -1.060 1.00 0.00 H new ATOM 534 N SER A 43 4.870 2.641 -5.602 1.00 0.00 N ATOM 535 CA SER A 43 4.578 2.949 -6.994 1.00 0.00 C ATOM 536 C SER A 43 5.141 4.312 -7.368 1.00 0.00 C ATOM 537 O SER A 43 5.425 5.142 -6.504 1.00 0.00 O ATOM 538 CB SER A 43 3.070 2.917 -7.248 1.00 0.00 C ATOM 539 OG SER A 43 2.773 3.090 -8.626 1.00 0.00 O ATOM 0 H SER A 43 4.232 3.069 -4.931 1.00 0.00 H new ATOM 0 HA SER A 43 5.053 2.191 -7.617 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.661 1.967 -6.903 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.585 3.702 -6.668 1.00 0.00 H new ATOM 0 HG SER A 43 1.802 3.063 -8.757 1.00 0.00 H new ATOM 545 N ARG A 44 5.307 4.525 -8.663 1.00 0.00 N ATOM 546 CA ARG A 44 5.868 5.764 -9.175 1.00 0.00 C ATOM 547 C ARG A 44 4.794 6.548 -9.921 1.00 0.00 C ATOM 548 O ARG A 44 5.065 7.581 -10.534 1.00 0.00 O ATOM 549 CB ARG A 44 7.055 5.482 -10.111 1.00 0.00 C ATOM 550 CG ARG A 44 8.240 4.771 -9.451 1.00 0.00 C ATOM 551 CD ARG A 44 7.957 3.298 -9.164 1.00 0.00 C ATOM 552 NE ARG A 44 7.500 2.581 -10.355 1.00 0.00 N ATOM 553 CZ ARG A 44 7.251 1.274 -10.393 1.00 0.00 C ATOM 554 NH1 ARG A 44 7.475 0.514 -9.330 1.00 0.00 N ATOM 555 NH2 ARG A 44 6.793 0.730 -11.513 1.00 0.00 N ATOM 0 H ARG A 44 5.058 3.849 -9.385 1.00 0.00 H new ATOM 0 HA ARG A 44 6.228 6.354 -8.332 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.705 4.875 -10.946 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.403 6.427 -10.528 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.113 4.850 -10.099 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.489 5.277 -8.518 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.861 2.824 -8.781 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.201 3.220 -8.383 1.00 0.00 H new ATOM 0 HE ARG A 44 7.363 3.118 -11.212 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.841 0.930 -8.474 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.281 -0.487 -9.369 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.635 1.312 -12.335 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.599 -0.271 -11.552 1.00 0.00 H new ATOM 569 N GLN A 45 3.569 6.042 -9.865 1.00 0.00 N ATOM 570 CA GLN A 45 2.445 6.656 -10.560 1.00 0.00 C ATOM 571 C GLN A 45 1.763 7.697 -9.678 1.00 0.00 C ATOM 572 O GLN A 45 1.841 7.631 -8.449 1.00 0.00 O ATOM 573 CB GLN A 45 1.428 5.586 -10.965 1.00 0.00 C ATOM 574 CG GLN A 45 1.962 4.563 -11.958 1.00 0.00 C ATOM 575 CD GLN A 45 0.995 3.417 -12.185 1.00 0.00 C ATOM 576 OE1 GLN A 45 0.252 3.026 -11.284 1.00 0.00 O ATOM 577 NE2 GLN A 45 0.986 2.876 -13.393 1.00 0.00 N ATOM 0 H GLN A 45 3.327 5.201 -9.341 1.00 0.00 H new ATOM 0 HA GLN A 45 2.829 7.150 -11.452 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.090 5.065 -10.070 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.555 6.075 -11.398 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.166 5.056 -12.908 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.910 4.168 -11.594 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.617 3.227 -14.114 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.348 2.108 -13.603 1.00 0.00 H new ATOM 586 N LEU A 46 1.108 8.659 -10.311 1.00 0.00 N ATOM 587 CA LEU A 46 0.345 9.671 -9.598 1.00 0.00 C ATOM 588 C LEU A 46 -1.129 9.297 -9.577 1.00 0.00 C ATOM 589 O LEU A 46 -1.620 8.621 -10.483 1.00 0.00 O ATOM 590 CB LEU A 46 0.513 11.046 -10.256 1.00 0.00 C ATOM 591 CG LEU A 46 1.906 11.667 -10.144 1.00 0.00 C ATOM 592 CD1 LEU A 46 1.937 13.022 -10.831 1.00 0.00 C ATOM 593 CD2 LEU A 46 2.316 11.796 -8.684 1.00 0.00 C ATOM 0 H LEU A 46 1.090 8.760 -11.326 1.00 0.00 H new ATOM 0 HA LEU A 46 0.723 9.722 -8.577 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.259 10.957 -11.312 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.208 11.732 -9.811 1.00 0.00 H new ATOM 0 HG LEU A 46 2.620 11.011 -10.643 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.935 13.452 -10.743 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.685 12.902 -11.885 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.213 13.686 -10.359 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.310 12.240 -8.623 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.602 12.432 -8.160 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.330 10.809 -8.222 1.00 0.00 H new ATOM 605 N PRO A 47 -1.854 9.719 -8.531 1.00 0.00 N ATOM 606 CA PRO A 47 -3.297 9.498 -8.431 1.00 0.00 C ATOM 607 C PRO A 47 -4.051 10.383 -9.421 1.00 0.00 C ATOM 608 O PRO A 47 -3.449 11.259 -10.044 1.00 0.00 O ATOM 609 CB PRO A 47 -3.608 9.899 -6.985 1.00 0.00 C ATOM 610 CG PRO A 47 -2.555 10.884 -6.630 1.00 0.00 C ATOM 611 CD PRO A 47 -1.320 10.456 -7.369 1.00 0.00 C ATOM 0 HA PRO A 47 -3.595 8.476 -8.665 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.603 10.336 -6.901 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.582 9.035 -6.321 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -2.852 11.893 -6.918 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -2.381 10.898 -5.554 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -0.720 11.312 -7.678 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -0.681 9.824 -6.752 1.00 0.00 H new ATOM 619 N PRO A 48 -5.379 10.188 -9.573 1.00 0.00 N ATOM 620 CA PRO A 48 -6.194 10.965 -10.521 1.00 0.00 C ATOM 621 C PRO A 48 -6.240 12.453 -10.183 1.00 0.00 C ATOM 622 O PRO A 48 -6.872 13.239 -10.882 1.00 0.00 O ATOM 623 CB PRO A 48 -7.594 10.349 -10.396 1.00 0.00 C ATOM 624 CG PRO A 48 -7.383 9.025 -9.748 1.00 0.00 C ATOM 625 CD PRO A 48 -6.190 9.191 -8.855 1.00 0.00 C ATOM 0 HA PRO A 48 -5.780 10.917 -11.528 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.250 10.980 -9.797 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.064 10.238 -11.373 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -8.261 8.726 -9.176 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.208 8.249 -10.493 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.474 9.540 -7.862 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.652 8.253 -8.721 1.00 0.00 H new ATOM 633 N ASN A 49 -5.577 12.826 -9.096 1.00 0.00 N ATOM 634 CA ASN A 49 -5.479 14.222 -8.692 1.00 0.00 C ATOM 635 C ASN A 49 -4.142 14.815 -9.128 1.00 0.00 C ATOM 636 O ASN A 49 -3.995 16.027 -9.231 1.00 0.00 O ATOM 637 CB ASN A 49 -5.640 14.359 -7.174 1.00 0.00 C ATOM 638 CG ASN A 49 -7.079 14.214 -6.701 1.00 0.00 C ATOM 639 OD1 ASN A 49 -7.895 13.500 -7.457 1.00 0.00 O flip ATOM 640 ND2 ASN A 49 -7.453 14.748 -5.658 1.00 0.00 N flip ATOM 0 H ASN A 49 -5.096 12.176 -8.475 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.284 14.771 -9.181 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.026 13.604 -6.682 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.260 15.332 -6.863 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.795 15.292 -5.099 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.421 14.647 -5.352 1.00 0.00 H new ATOM 647 N GLY A 50 -3.173 13.938 -9.389 1.00 0.00 N ATOM 648 CA GLY A 50 -1.845 14.371 -9.809 1.00 0.00 C ATOM 649 C GLY A 50 -1.086 15.098 -8.714 1.00 0.00 C ATOM 650 O GLY A 50 -0.157 15.855 -8.990 1.00 0.00 O ATOM 0 H GLY A 50 -3.284 12.927 -9.317 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.269 13.502 -10.128 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.939 15.026 -10.675 1.00 0.00 H new ATOM 654 N ASP A 51 -1.481 14.859 -7.473 1.00 0.00 N ATOM 655 CA ASP A 51 -0.843 15.496 -6.328 1.00 0.00 C ATOM 656 C ASP A 51 0.240 14.598 -5.742 1.00 0.00 C ATOM 657 O ASP A 51 0.029 13.398 -5.556 1.00 0.00 O ATOM 658 CB ASP A 51 -1.877 15.832 -5.252 1.00 0.00 C ATOM 659 CG ASP A 51 -2.731 17.030 -5.609 1.00 0.00 C ATOM 660 OD1 ASP A 51 -2.265 18.172 -5.421 1.00 0.00 O ATOM 661 OD2 ASP A 51 -3.878 16.841 -6.069 1.00 0.00 O ATOM 0 H ASP A 51 -2.243 14.226 -7.231 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.381 16.420 -6.674 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.521 14.968 -5.092 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.364 16.026 -4.310 1.00 0.00 H new ATOM 666 N PRO A 52 1.416 15.175 -5.433 1.00 0.00 N ATOM 667 CA PRO A 52 2.561 14.425 -4.902 1.00 0.00 C ATOM 668 C PRO A 52 2.437 14.111 -3.410 1.00 0.00 C ATOM 669 O PRO A 52 3.358 13.563 -2.801 1.00 0.00 O ATOM 670 CB PRO A 52 3.731 15.373 -5.149 1.00 0.00 C ATOM 671 CG PRO A 52 3.133 16.736 -5.075 1.00 0.00 C ATOM 672 CD PRO A 52 1.724 16.611 -5.592 1.00 0.00 C ATOM 0 HA PRO A 52 2.660 13.449 -5.378 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.512 15.242 -4.400 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.188 15.193 -6.122 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.139 17.108 -4.050 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.705 17.444 -5.674 1.00 0.00 H new ATOM 0 HD2 PRO A 52 1.033 17.234 -5.024 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.651 16.923 -6.634 1.00 0.00 H new ATOM 680 N ASN A 53 1.302 14.468 -2.823 1.00 0.00 N ATOM 681 CA ASN A 53 1.043 14.188 -1.416 1.00 0.00 C ATOM 682 C ASN A 53 0.282 12.875 -1.256 1.00 0.00 C ATOM 683 O ASN A 53 -0.087 12.485 -0.146 1.00 0.00 O ATOM 684 CB ASN A 53 0.298 15.356 -0.750 1.00 0.00 C ATOM 685 CG ASN A 53 -0.882 15.866 -1.561 1.00 0.00 C ATOM 686 OD1 ASN A 53 -1.523 15.116 -2.288 1.00 0.00 O ATOM 687 ND2 ASN A 53 -1.162 17.156 -1.455 1.00 0.00 N ATOM 0 H ASN A 53 0.543 14.954 -3.301 1.00 0.00 H new ATOM 0 HA ASN A 53 2.001 14.079 -0.908 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -0.056 15.038 0.231 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.997 16.176 -0.586 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.934 17.556 -1.989 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.606 17.750 -0.839 1.00 0.00 H new ATOM 694 N PHE A 54 0.062 12.194 -2.374 1.00 0.00 N ATOM 695 CA PHE A 54 -0.513 10.856 -2.368 1.00 0.00 C ATOM 696 C PHE A 54 0.288 9.941 -3.280 1.00 0.00 C ATOM 697 O PHE A 54 -0.002 9.826 -4.471 1.00 0.00 O ATOM 698 CB PHE A 54 -1.975 10.868 -2.818 1.00 0.00 C ATOM 699 CG PHE A 54 -2.922 11.420 -1.793 1.00 0.00 C ATOM 700 CD1 PHE A 54 -3.511 10.587 -0.854 1.00 0.00 C ATOM 701 CD2 PHE A 54 -3.226 12.769 -1.767 1.00 0.00 C ATOM 702 CE1 PHE A 54 -4.383 11.094 0.092 1.00 0.00 C ATOM 703 CE2 PHE A 54 -4.095 13.283 -0.827 1.00 0.00 C ATOM 704 CZ PHE A 54 -4.676 12.444 0.105 1.00 0.00 C ATOM 0 H PHE A 54 0.276 12.552 -3.305 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.474 10.486 -1.344 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.059 11.458 -3.731 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.277 9.851 -3.067 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.286 9.531 -0.861 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.776 13.430 -2.493 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.834 10.436 0.820 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.321 14.339 -0.819 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.358 12.843 0.842 1.00 0.00 H new ATOM 714 N LYS A 55 1.302 9.306 -2.724 1.00 0.00 N ATOM 715 CA LYS A 55 2.130 8.394 -3.489 1.00 0.00 C ATOM 716 C LYS A 55 1.471 7.026 -3.562 1.00 0.00 C ATOM 717 O LYS A 55 1.066 6.460 -2.548 1.00 0.00 O ATOM 718 CB LYS A 55 3.521 8.279 -2.869 1.00 0.00 C ATOM 719 CG LYS A 55 4.276 9.596 -2.820 1.00 0.00 C ATOM 720 CD LYS A 55 5.724 9.400 -2.398 1.00 0.00 C ATOM 721 CE LYS A 55 5.834 8.770 -1.017 1.00 0.00 C ATOM 722 NZ LYS A 55 7.252 8.600 -0.602 1.00 0.00 N ATOM 0 H LYS A 55 1.572 9.405 -1.745 1.00 0.00 H new ATOM 0 HA LYS A 55 2.237 8.789 -4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.427 7.886 -1.857 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.105 7.556 -3.439 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.244 10.070 -3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.782 10.273 -2.123 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.232 8.768 -3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.236 10.362 -2.399 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.314 9.394 -0.290 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.336 7.800 -1.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.288 8.168 0.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.741 7.984 -1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.720 9.528 -0.576 1.00 0.00 H new ATOM 736 N LEU A 56 1.355 6.504 -4.765 1.00 0.00 N ATOM 737 CA LEU A 56 0.700 5.228 -4.976 1.00 0.00 C ATOM 738 C LEU A 56 1.523 4.079 -4.402 1.00 0.00 C ATOM 739 O LEU A 56 2.753 4.114 -4.399 1.00 0.00 O ATOM 740 CB LEU A 56 0.442 5.007 -6.464 1.00 0.00 C ATOM 741 CG LEU A 56 -0.877 5.577 -6.995 1.00 0.00 C ATOM 742 CD1 LEU A 56 -0.988 7.065 -6.715 1.00 0.00 C ATOM 743 CD2 LEU A 56 -1.005 5.306 -8.481 1.00 0.00 C ATOM 0 H LEU A 56 1.707 6.945 -5.615 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.254 5.249 -4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.263 5.451 -7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.461 3.936 -6.663 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.694 5.078 -6.473 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.935 7.439 -7.104 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.944 7.237 -5.640 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.164 7.589 -7.200 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.947 5.716 -8.846 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.176 5.776 -9.009 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.985 4.231 -8.658 1.00 0.00 H new ATOM 755 N PHE A 57 0.828 3.068 -3.913 1.00 0.00 N ATOM 756 CA PHE A 57 1.465 1.909 -3.321 1.00 0.00 C ATOM 757 C PHE A 57 1.068 0.652 -4.078 1.00 0.00 C ATOM 758 O PHE A 57 -0.090 0.493 -4.460 1.00 0.00 O ATOM 759 CB PHE A 57 1.065 1.783 -1.854 1.00 0.00 C ATOM 760 CG PHE A 57 2.236 1.727 -0.923 1.00 0.00 C ATOM 761 CD1 PHE A 57 2.961 2.871 -0.629 1.00 0.00 C ATOM 762 CD2 PHE A 57 2.615 0.529 -0.346 1.00 0.00 C ATOM 763 CE1 PHE A 57 4.039 2.815 0.226 1.00 0.00 C ATOM 764 CE2 PHE A 57 3.693 0.469 0.510 1.00 0.00 C ATOM 765 CZ PHE A 57 4.405 1.612 0.796 1.00 0.00 C ATOM 0 H PHE A 57 -0.191 3.028 -3.916 1.00 0.00 H new ATOM 0 HA PHE A 57 2.546 2.032 -3.383 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.434 2.630 -1.583 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.464 0.883 -1.725 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.678 3.814 -1.074 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.060 -0.370 -0.569 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.598 3.712 0.451 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.979 -0.472 0.956 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.250 1.568 1.467 1.00 0.00 H new ATOM 775 N ILE A 58 2.027 -0.229 -4.289 1.00 0.00 N ATOM 776 CA ILE A 58 1.801 -1.437 -5.064 1.00 0.00 C ATOM 777 C ILE A 58 1.706 -2.641 -4.148 1.00 0.00 C ATOM 778 O ILE A 58 2.549 -2.829 -3.282 1.00 0.00 O ATOM 779 CB ILE A 58 2.954 -1.685 -6.056 1.00 0.00 C ATOM 780 CG1 ILE A 58 3.220 -0.439 -6.888 1.00 0.00 C ATOM 781 CG2 ILE A 58 2.659 -2.874 -6.957 1.00 0.00 C ATOM 782 CD1 ILE A 58 4.314 -0.620 -7.920 1.00 0.00 C ATOM 0 H ILE A 58 2.977 -0.131 -3.932 1.00 0.00 H new ATOM 0 HA ILE A 58 0.869 -1.300 -5.612 1.00 0.00 H new ATOM 0 HB ILE A 58 3.849 -1.916 -5.478 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.300 -0.147 -7.394 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.492 0.381 -6.223 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.491 -3.024 -7.646 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.527 -3.768 -6.348 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.748 -2.683 -7.524 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.448 0.309 -8.475 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.246 -0.882 -7.420 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.036 -1.417 -8.609 1.00 0.00 H new ATOM 794 N ILE A 59 0.683 -3.443 -4.324 1.00 0.00 N ATOM 795 CA ILE A 59 0.613 -4.711 -3.637 1.00 0.00 C ATOM 796 C ILE A 59 0.519 -5.813 -4.675 1.00 0.00 C ATOM 797 O ILE A 59 -0.553 -6.071 -5.215 1.00 0.00 O ATOM 798 CB ILE A 59 -0.593 -4.789 -2.679 1.00 0.00 C ATOM 799 CG1 ILE A 59 -0.591 -3.595 -1.719 1.00 0.00 C ATOM 800 CG2 ILE A 59 -0.570 -6.100 -1.899 1.00 0.00 C ATOM 801 CD1 ILE A 59 -1.757 -3.581 -0.752 1.00 0.00 C ATOM 0 H ILE A 59 -0.109 -3.242 -4.934 1.00 0.00 H new ATOM 0 HA ILE A 59 1.510 -4.825 -3.029 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.508 -4.755 -3.271 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.339 -3.600 -1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.604 -2.674 -2.301 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.428 -6.139 -1.228 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.615 -6.938 -2.595 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.349 -6.161 -1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.684 -2.706 -0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.692 -3.543 -1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.735 -4.484 -0.142 1.00 0.00 H new ATOM 813 N ARG A 60 1.644 -6.435 -4.982 1.00 0.00 N ATOM 814 CA ARG A 60 1.673 -7.420 -6.044 1.00 0.00 C ATOM 815 C ARG A 60 1.579 -8.834 -5.488 1.00 0.00 C ATOM 816 O ARG A 60 2.321 -9.218 -4.581 1.00 0.00 O ATOM 817 CB ARG A 60 2.917 -7.255 -6.927 1.00 0.00 C ATOM 818 CG ARG A 60 4.247 -7.591 -6.271 1.00 0.00 C ATOM 819 CD ARG A 60 5.334 -7.731 -7.326 1.00 0.00 C ATOM 820 NE ARG A 60 4.918 -8.633 -8.403 1.00 0.00 N ATOM 821 CZ ARG A 60 5.384 -8.586 -9.654 1.00 0.00 C ATOM 822 NH1 ARG A 60 6.346 -7.737 -9.990 1.00 0.00 N ATOM 823 NH2 ARG A 60 4.882 -9.405 -10.570 1.00 0.00 N ATOM 0 H ARG A 60 2.538 -6.277 -4.517 1.00 0.00 H new ATOM 0 HA ARG A 60 0.798 -7.250 -6.672 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.799 -7.885 -7.808 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.957 -6.223 -7.276 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.518 -6.810 -5.561 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.158 -8.519 -5.706 1.00 0.00 H new ATOM 0 HD2 ARG A 60 5.570 -6.751 -7.740 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.246 -8.109 -6.864 1.00 0.00 H new ATOM 0 HE ARG A 60 4.224 -9.347 -8.182 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.740 -7.109 -9.289 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.692 -7.712 -10.949 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.146 -10.064 -10.316 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.232 -9.375 -11.527 1.00 0.00 H new ATOM 837 N GLY A 61 0.644 -9.596 -6.024 1.00 0.00 N ATOM 838 CA GLY A 61 0.446 -10.955 -5.573 1.00 0.00 C ATOM 839 C GLY A 61 -0.815 -11.563 -6.137 1.00 0.00 C ATOM 840 O GLY A 61 -0.920 -11.803 -7.338 1.00 0.00 O ATOM 0 H GLY A 61 0.014 -9.296 -6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.303 -11.562 -5.866 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.400 -10.972 -4.484 1.00 0.00 H new ATOM 844 N SER A 62 -1.768 -11.810 -5.261 1.00 0.00 N ATOM 845 CA SER A 62 -3.046 -12.378 -5.644 1.00 0.00 C ATOM 846 C SER A 62 -4.145 -11.711 -4.824 1.00 0.00 C ATOM 847 O SER A 62 -3.880 -11.269 -3.705 1.00 0.00 O ATOM 848 CB SER A 62 -3.034 -13.891 -5.414 1.00 0.00 C ATOM 849 OG SER A 62 -1.929 -14.493 -6.071 1.00 0.00 O ATOM 0 H SER A 62 -1.679 -11.623 -4.262 1.00 0.00 H new ATOM 0 HA SER A 62 -3.233 -12.201 -6.703 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.985 -14.100 -4.345 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.963 -14.327 -5.782 1.00 0.00 H new ATOM 0 HG SER A 62 -1.940 -15.460 -5.910 1.00 0.00 H new ATOM 855 N PRO A 63 -5.371 -11.616 -5.371 1.00 0.00 N ATOM 856 CA PRO A 63 -6.494 -10.903 -4.742 1.00 0.00 C ATOM 857 C PRO A 63 -6.606 -11.107 -3.228 1.00 0.00 C ATOM 858 O PRO A 63 -6.705 -10.137 -2.477 1.00 0.00 O ATOM 859 CB PRO A 63 -7.706 -11.498 -5.451 1.00 0.00 C ATOM 860 CG PRO A 63 -7.214 -11.809 -6.823 1.00 0.00 C ATOM 861 CD PRO A 63 -5.765 -12.199 -6.673 1.00 0.00 C ATOM 0 HA PRO A 63 -6.382 -9.824 -4.845 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.063 -12.394 -4.944 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -8.537 -10.794 -5.477 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.791 -12.619 -7.269 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.318 -10.945 -7.479 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.640 -13.282 -6.680 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.159 -11.803 -7.488 1.00 0.00 H new ATOM 869 N GLN A 64 -6.572 -12.356 -2.778 1.00 0.00 N ATOM 870 CA GLN A 64 -6.778 -12.658 -1.361 1.00 0.00 C ATOM 871 C GLN A 64 -5.594 -12.206 -0.508 1.00 0.00 C ATOM 872 O GLN A 64 -5.770 -11.787 0.638 1.00 0.00 O ATOM 873 CB GLN A 64 -7.029 -14.150 -1.161 1.00 0.00 C ATOM 874 CG GLN A 64 -7.410 -14.517 0.266 1.00 0.00 C ATOM 875 CD GLN A 64 -7.712 -15.991 0.424 1.00 0.00 C ATOM 876 OE1 GLN A 64 -6.823 -16.793 0.712 1.00 0.00 O ATOM 877 NE2 GLN A 64 -8.970 -16.352 0.253 1.00 0.00 N ATOM 0 H GLN A 64 -6.405 -13.172 -3.366 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.657 -12.102 -1.035 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -7.824 -14.470 -1.834 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.132 -14.702 -1.442 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.597 -14.242 0.938 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -8.282 -13.936 0.567 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.673 -15.653 0.015 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.239 -17.330 0.359 1.00 0.00 H new ATOM 886 N GLN A 65 -4.395 -12.280 -1.067 1.00 0.00 N ATOM 887 CA GLN A 65 -3.199 -11.848 -0.355 1.00 0.00 C ATOM 888 C GLN A 65 -3.086 -10.328 -0.378 1.00 0.00 C ATOM 889 O GLN A 65 -2.776 -9.705 0.637 1.00 0.00 O ATOM 890 CB GLN A 65 -1.950 -12.479 -0.973 1.00 0.00 C ATOM 891 CG GLN A 65 -1.746 -13.939 -0.592 1.00 0.00 C ATOM 892 CD GLN A 65 -0.689 -14.627 -1.436 1.00 0.00 C ATOM 893 OE1 GLN A 65 0.298 -13.871 -1.891 1.00 0.00 O flip ATOM 894 NE2 GLN A 65 -0.758 -15.834 -1.673 1.00 0.00 N flip ATOM 0 H GLN A 65 -4.224 -12.634 -2.008 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.279 -12.177 0.681 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.015 -12.402 -2.058 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -1.075 -11.907 -0.665 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.461 -13.999 0.458 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.691 -14.472 -0.697 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.535 -16.383 -1.304 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.038 -16.285 -2.238 1.00 0.00 H new ATOM 903 N ILE A 66 -3.342 -9.743 -1.542 1.00 0.00 N ATOM 904 CA ILE A 66 -3.348 -8.294 -1.699 1.00 0.00 C ATOM 905 C ILE A 66 -4.363 -7.643 -0.765 1.00 0.00 C ATOM 906 O ILE A 66 -4.030 -6.730 -0.007 1.00 0.00 O ATOM 907 CB ILE A 66 -3.679 -7.898 -3.150 1.00 0.00 C ATOM 908 CG1 ILE A 66 -2.596 -8.409 -4.098 1.00 0.00 C ATOM 909 CG2 ILE A 66 -3.841 -6.388 -3.279 1.00 0.00 C ATOM 910 CD1 ILE A 66 -2.877 -8.096 -5.547 1.00 0.00 C ATOM 0 H ILE A 66 -3.550 -10.256 -2.399 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.349 -7.940 -1.446 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.627 -8.361 -3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.639 -7.969 -3.817 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.498 -9.488 -3.979 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.074 -6.134 -4.313 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.651 -6.052 -2.631 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.914 -5.896 -2.985 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.070 -8.486 -6.167 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.818 -8.559 -5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.946 -7.016 -5.679 1.00 0.00 H new ATOM 922 N ASP A 67 -5.597 -8.130 -0.820 1.00 0.00 N ATOM 923 CA ASP A 67 -6.676 -7.577 -0.014 1.00 0.00 C ATOM 924 C ASP A 67 -6.375 -7.760 1.470 1.00 0.00 C ATOM 925 O ASP A 67 -6.699 -6.902 2.294 1.00 0.00 O ATOM 926 CB ASP A 67 -8.000 -8.252 -0.374 1.00 0.00 C ATOM 927 CG ASP A 67 -9.189 -7.623 0.327 1.00 0.00 C ATOM 928 OD1 ASP A 67 -9.712 -6.607 -0.175 1.00 0.00 O ATOM 929 OD2 ASP A 67 -9.610 -8.146 1.379 1.00 0.00 O ATOM 0 H ASP A 67 -5.875 -8.909 -1.417 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.758 -6.510 -0.222 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.149 -8.198 -1.452 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.947 -9.309 -0.112 1.00 0.00 H new ATOM 934 N HIS A 68 -5.742 -8.882 1.802 1.00 0.00 N ATOM 935 CA HIS A 68 -5.325 -9.146 3.175 1.00 0.00 C ATOM 936 C HIS A 68 -4.329 -8.078 3.623 1.00 0.00 C ATOM 937 O HIS A 68 -4.506 -7.463 4.671 1.00 0.00 O ATOM 938 CB HIS A 68 -4.702 -10.544 3.281 1.00 0.00 C ATOM 939 CG HIS A 68 -4.492 -11.036 4.686 1.00 0.00 C ATOM 940 ND1 HIS A 68 -3.932 -12.263 4.967 1.00 0.00 N ATOM 941 CD2 HIS A 68 -4.764 -10.470 5.887 1.00 0.00 C ATOM 942 CE1 HIS A 68 -3.865 -12.426 6.274 1.00 0.00 C ATOM 943 NE2 HIS A 68 -4.359 -11.352 6.860 1.00 0.00 N ATOM 0 H HIS A 68 -5.507 -9.622 1.140 1.00 0.00 H new ATOM 0 HA HIS A 68 -6.197 -9.111 3.828 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.342 -11.252 2.755 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -3.742 -10.538 2.766 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.216 -9.503 6.050 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.471 -13.295 6.781 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -4.429 -11.202 7.866 1.00 0.00 H new ATOM 952 N ALA A 69 -3.300 -7.853 2.807 1.00 0.00 N ATOM 953 CA ALA A 69 -2.281 -6.844 3.098 1.00 0.00 C ATOM 954 C ALA A 69 -2.913 -5.469 3.246 1.00 0.00 C ATOM 955 O ALA A 69 -2.609 -4.727 4.181 1.00 0.00 O ATOM 956 CB ALA A 69 -1.226 -6.831 2.001 1.00 0.00 C ATOM 0 H ALA A 69 -3.149 -8.359 1.934 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.800 -7.100 4.042 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.473 -6.076 2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.751 -7.810 1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.697 -6.597 1.046 1.00 0.00 H new ATOM 962 N LYS A 70 -3.805 -5.154 2.316 1.00 0.00 N ATOM 963 CA LYS A 70 -4.571 -3.916 2.337 1.00 0.00 C ATOM 964 C LYS A 70 -5.255 -3.712 3.690 1.00 0.00 C ATOM 965 O LYS A 70 -5.263 -2.605 4.226 1.00 0.00 O ATOM 966 CB LYS A 70 -5.600 -3.957 1.201 1.00 0.00 C ATOM 967 CG LYS A 70 -6.797 -3.043 1.382 1.00 0.00 C ATOM 968 CD LYS A 70 -7.827 -3.293 0.293 1.00 0.00 C ATOM 969 CE LYS A 70 -9.158 -2.634 0.607 1.00 0.00 C ATOM 970 NZ LYS A 70 -9.751 -3.150 1.870 1.00 0.00 N ATOM 0 H LYS A 70 -4.018 -5.755 1.520 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.898 -3.071 2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.100 -3.694 0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.958 -4.981 1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.246 -3.211 2.361 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.475 -2.002 1.354 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.450 -2.914 -0.657 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.973 -4.366 0.172 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.019 -1.556 0.686 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.851 -2.807 -0.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.703 -2.751 1.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.814 -4.187 1.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.151 -2.873 2.673 1.00 0.00 H new ATOM 984 N GLN A 71 -5.792 -4.790 4.248 1.00 0.00 N ATOM 985 CA GLN A 71 -6.512 -4.723 5.513 1.00 0.00 C ATOM 986 C GLN A 71 -5.589 -4.301 6.656 1.00 0.00 C ATOM 987 O GLN A 71 -5.914 -3.384 7.409 1.00 0.00 O ATOM 988 CB GLN A 71 -7.152 -6.075 5.827 1.00 0.00 C ATOM 989 CG GLN A 71 -8.076 -6.046 7.032 1.00 0.00 C ATOM 990 CD GLN A 71 -8.595 -7.420 7.404 1.00 0.00 C ATOM 991 OE1 GLN A 71 -7.917 -8.430 7.213 1.00 0.00 O ATOM 992 NE2 GLN A 71 -9.806 -7.468 7.931 1.00 0.00 N ATOM 0 H GLN A 71 -5.742 -5.724 3.842 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.294 -3.970 5.415 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.715 -6.412 4.956 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.365 -6.808 6.001 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.544 -5.621 7.883 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.919 -5.388 6.822 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.335 -6.607 8.073 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.212 -8.366 8.196 1.00 0.00 H new ATOM 1001 N LEU A 72 -4.443 -4.972 6.789 1.00 0.00 N ATOM 1002 CA LEU A 72 -3.455 -4.601 7.799 1.00 0.00 C ATOM 1003 C LEU A 72 -3.044 -3.139 7.665 1.00 0.00 C ATOM 1004 O LEU A 72 -2.862 -2.446 8.664 1.00 0.00 O ATOM 1005 CB LEU A 72 -2.211 -5.491 7.714 1.00 0.00 C ATOM 1006 CG LEU A 72 -2.431 -6.944 8.127 1.00 0.00 C ATOM 1007 CD1 LEU A 72 -2.702 -7.822 6.925 1.00 0.00 C ATOM 1008 CD2 LEU A 72 -1.240 -7.471 8.907 1.00 0.00 C ATOM 0 H LEU A 72 -4.179 -5.771 6.212 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.927 -4.745 8.771 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.838 -5.472 6.690 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.432 -5.063 8.345 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.309 -6.973 8.773 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.854 -8.850 7.253 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.596 -7.469 6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.851 -7.780 6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.421 -8.508 9.190 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.345 -7.415 8.287 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.098 -6.869 9.805 1.00 0.00 H new ATOM 1020 N ILE A 73 -2.908 -2.673 6.433 1.00 0.00 N ATOM 1021 CA ILE A 73 -2.532 -1.287 6.180 1.00 0.00 C ATOM 1022 C ILE A 73 -3.657 -0.346 6.593 1.00 0.00 C ATOM 1023 O ILE A 73 -3.415 0.697 7.203 1.00 0.00 O ATOM 1024 CB ILE A 73 -2.193 -1.061 4.690 1.00 0.00 C ATOM 1025 CG1 ILE A 73 -1.060 -1.994 4.261 1.00 0.00 C ATOM 1026 CG2 ILE A 73 -1.819 0.393 4.436 1.00 0.00 C ATOM 1027 CD1 ILE A 73 -0.630 -1.829 2.814 1.00 0.00 C ATOM 0 H ILE A 73 -3.052 -3.232 5.592 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.644 -1.074 6.775 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.077 -1.290 4.094 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.198 -1.821 4.906 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.375 -3.026 4.419 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.584 0.529 3.380 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.656 1.037 4.708 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.949 0.655 5.038 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.177 -2.527 2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.476 -2.032 2.158 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.282 -0.809 2.652 1.00 0.00 H new ATOM 1039 N GLU A 74 -4.888 -0.731 6.277 1.00 0.00 N ATOM 1040 CA GLU A 74 -6.061 0.040 6.665 1.00 0.00 C ATOM 1041 C GLU A 74 -6.252 0.018 8.176 1.00 0.00 C ATOM 1042 O GLU A 74 -6.982 0.832 8.729 1.00 0.00 O ATOM 1043 CB GLU A 74 -7.309 -0.498 5.970 1.00 0.00 C ATOM 1044 CG GLU A 74 -7.334 -0.223 4.478 1.00 0.00 C ATOM 1045 CD GLU A 74 -8.532 -0.843 3.794 1.00 0.00 C ATOM 1046 OE1 GLU A 74 -8.829 -2.023 4.062 1.00 0.00 O ATOM 1047 OE2 GLU A 74 -9.178 -0.161 2.972 1.00 0.00 O ATOM 0 H GLU A 74 -5.099 -1.578 5.750 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.903 1.073 6.354 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.372 -1.574 6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.192 -0.053 6.429 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.341 0.854 4.311 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.421 -0.610 4.025 1.00 0.00 H new ATOM 1054 N GLU A 75 -5.603 -0.926 8.838 1.00 0.00 N ATOM 1055 CA GLU A 75 -5.612 -0.983 10.292 1.00 0.00 C ATOM 1056 C GLU A 75 -4.524 -0.070 10.851 1.00 0.00 C ATOM 1057 O GLU A 75 -4.695 0.545 11.906 1.00 0.00 O ATOM 1058 CB GLU A 75 -5.383 -2.422 10.762 1.00 0.00 C ATOM 1059 CG GLU A 75 -5.752 -2.664 12.214 1.00 0.00 C ATOM 1060 CD GLU A 75 -7.248 -2.691 12.428 1.00 0.00 C ATOM 1061 OE1 GLU A 75 -7.872 -1.611 12.452 1.00 0.00 O ATOM 1062 OE2 GLU A 75 -7.811 -3.796 12.556 1.00 0.00 O ATOM 0 H GLU A 75 -5.062 -1.666 8.391 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.582 -0.645 10.656 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.965 -3.096 10.133 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.333 -2.678 10.617 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.323 -3.610 12.543 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.312 -1.882 12.834 1.00 0.00 H new ATOM 1069 N LYS A 76 -3.409 0.013 10.128 1.00 0.00 N ATOM 1070 CA LYS A 76 -2.313 0.903 10.497 1.00 0.00 C ATOM 1071 C LYS A 76 -2.758 2.354 10.409 1.00 0.00 C ATOM 1072 O LYS A 76 -2.610 3.126 11.356 1.00 0.00 O ATOM 1073 CB LYS A 76 -1.103 0.696 9.575 1.00 0.00 C ATOM 1074 CG LYS A 76 -0.476 -0.685 9.650 1.00 0.00 C ATOM 1075 CD LYS A 76 -0.189 -1.077 11.087 1.00 0.00 C ATOM 1076 CE LYS A 76 0.530 -2.413 11.191 1.00 0.00 C ATOM 1077 NZ LYS A 76 1.828 -2.414 10.461 1.00 0.00 N ATOM 0 H LYS A 76 -3.242 -0.528 9.280 1.00 0.00 H new ATOM 0 HA LYS A 76 -2.026 0.667 11.522 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.411 0.885 8.547 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.344 1.438 9.822 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.145 -1.417 9.197 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.449 -0.699 9.074 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.418 -0.303 11.557 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.126 -1.128 11.641 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.706 -2.648 12.241 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.110 -3.200 10.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.394 -3.233 10.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.651 -2.472 9.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.347 -1.538 10.674 1.00 0.00 H new ATOM 1091 N ILE A 77 -3.306 2.712 9.257 1.00 0.00 N ATOM 1092 CA ILE A 77 -3.757 4.075 9.009 1.00 0.00 C ATOM 1093 C ILE A 77 -5.165 4.281 9.557 1.00 0.00 C ATOM 1094 O ILE A 77 -5.635 5.411 9.704 1.00 0.00 O ATOM 1095 CB ILE A 77 -3.748 4.400 7.504 1.00 0.00 C ATOM 1096 CG1 ILE A 77 -4.792 3.558 6.766 1.00 0.00 C ATOM 1097 CG2 ILE A 77 -2.364 4.148 6.927 1.00 0.00 C ATOM 1098 CD1 ILE A 77 -4.879 3.858 5.289 1.00 0.00 C ATOM 0 H ILE A 77 -3.450 2.074 8.474 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.065 4.746 9.519 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.000 5.452 7.372 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.555 2.502 6.900 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.769 3.726 7.220 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.366 4.380 5.862 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.637 4.782 7.435 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.095 3.101 7.070 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.639 3.224 4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.146 4.905 5.145 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.914 3.662 4.821 1.00 0.00 H new ATOM 1110 N GLU A 78 -5.821 3.155 9.843 1.00 0.00 N ATOM 1111 CA GLU A 78 -7.160 3.122 10.429 1.00 0.00 C ATOM 1112 C GLU A 78 -8.183 3.772 9.503 1.00 0.00 C ATOM 1113 O GLU A 78 -9.148 4.389 9.955 1.00 0.00 O ATOM 1114 CB GLU A 78 -7.170 3.787 11.803 1.00 0.00 C ATOM 1115 CG GLU A 78 -5.928 3.485 12.624 1.00 0.00 C ATOM 1116 CD GLU A 78 -5.969 4.109 13.994 1.00 0.00 C ATOM 1117 OE1 GLU A 78 -5.971 5.356 14.088 1.00 0.00 O ATOM 1118 OE2 GLU A 78 -6.000 3.355 14.987 1.00 0.00 O ATOM 0 H GLU A 78 -5.431 2.228 9.671 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.442 2.077 10.556 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.260 4.866 11.676 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.051 3.456 12.353 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.818 2.405 12.725 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.049 3.847 12.091 1.00 0.00 H new ATOM 1125 N GLY A 79 -7.972 3.607 8.205 1.00 0.00 N ATOM 1126 CA GLY A 79 -8.858 4.179 7.214 1.00 0.00 C ATOM 1127 C GLY A 79 -8.892 3.349 5.951 1.00 0.00 C ATOM 1128 O GLY A 79 -7.920 2.663 5.646 1.00 0.00 O ATOM 0 H GLY A 79 -7.190 3.079 7.817 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.864 4.256 7.626 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.533 5.192 6.976 1.00 0.00 H new ATOM 1132 N PRO A 80 -9.999 3.380 5.202 1.00 0.00 N ATOM 1133 CA PRO A 80 -10.130 2.614 3.962 1.00 0.00 C ATOM 1134 C PRO A 80 -9.276 3.178 2.825 1.00 0.00 C ATOM 1135 O PRO A 80 -9.260 4.388 2.580 1.00 0.00 O ATOM 1136 CB PRO A 80 -11.617 2.735 3.627 1.00 0.00 C ATOM 1137 CG PRO A 80 -12.057 4.001 4.275 1.00 0.00 C ATOM 1138 CD PRO A 80 -11.215 4.155 5.511 1.00 0.00 C ATOM 0 HA PRO A 80 -9.787 1.587 4.084 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -11.777 2.767 2.549 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -12.178 1.881 4.008 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -11.922 4.849 3.604 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -13.116 3.961 4.528 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.984 5.201 5.710 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -11.724 3.767 6.394 1.00 0.00 H new ATOM 1146 N LEU A 81 -8.569 2.296 2.134 1.00 0.00 N ATOM 1147 CA LEU A 81 -7.723 2.695 1.018 1.00 0.00 C ATOM 1148 C LEU A 81 -8.481 2.601 -0.298 1.00 0.00 C ATOM 1149 O LEU A 81 -9.385 1.777 -0.453 1.00 0.00 O ATOM 1150 CB LEU A 81 -6.462 1.830 0.956 1.00 0.00 C ATOM 1151 CG LEU A 81 -5.406 2.151 2.013 1.00 0.00 C ATOM 1152 CD1 LEU A 81 -4.224 1.207 1.901 1.00 0.00 C ATOM 1153 CD2 LEU A 81 -4.940 3.588 1.874 1.00 0.00 C ATOM 0 H LEU A 81 -8.564 1.295 2.328 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.429 3.732 1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.752 0.784 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.012 1.940 -0.031 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.859 2.019 2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.486 1.456 2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.563 0.181 2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.772 1.305 0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.188 3.802 2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.508 3.736 0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.788 4.260 2.004 1.00 0.00 H new ATOM 1165 N CYS A 82 -8.108 3.457 -1.235 1.00 0.00 N ATOM 1166 CA CYS A 82 -8.749 3.507 -2.539 1.00 0.00 C ATOM 1167 C CYS A 82 -7.816 2.972 -3.619 1.00 0.00 C ATOM 1168 O CYS A 82 -6.645 3.355 -3.687 1.00 0.00 O ATOM 1169 CB CYS A 82 -9.147 4.948 -2.873 1.00 0.00 C ATOM 1170 SG CYS A 82 -9.988 5.133 -4.464 1.00 0.00 S ATOM 0 H CYS A 82 -7.355 4.135 -1.114 1.00 0.00 H new ATOM 0 HA CYS A 82 -9.642 2.882 -2.506 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -9.798 5.326 -2.084 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -8.252 5.570 -2.873 1.00 0.00 H new ATOM 0 HG CYS A 82 -9.361 4.442 -5.369 1.00 0.00 H new ATOM 1176 N PRO A 83 -8.318 2.057 -4.461 1.00 0.00 N ATOM 1177 CA PRO A 83 -7.591 1.585 -5.640 1.00 0.00 C ATOM 1178 C PRO A 83 -7.475 2.695 -6.679 1.00 0.00 C ATOM 1179 O PRO A 83 -8.434 3.428 -6.920 1.00 0.00 O ATOM 1180 CB PRO A 83 -8.456 0.435 -6.177 1.00 0.00 C ATOM 1181 CG PRO A 83 -9.439 0.128 -5.096 1.00 0.00 C ATOM 1182 CD PRO A 83 -9.624 1.401 -4.328 1.00 0.00 C ATOM 0 HA PRO A 83 -6.573 1.273 -5.407 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.964 0.724 -7.097 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.846 -0.438 -6.410 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.385 -0.215 -5.515 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -9.070 -0.668 -4.449 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.426 2.011 -4.744 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -9.876 1.210 -3.285 1.00 0.00 H new ATOM 1190 N VAL A 84 -6.301 2.826 -7.279 1.00 0.00 N ATOM 1191 CA VAL A 84 -6.038 3.926 -8.196 1.00 0.00 C ATOM 1192 C VAL A 84 -6.023 3.463 -9.651 1.00 0.00 C ATOM 1193 O VAL A 84 -6.943 3.754 -10.410 1.00 0.00 O ATOM 1194 CB VAL A 84 -4.697 4.617 -7.867 1.00 0.00 C ATOM 1195 CG1 VAL A 84 -4.463 5.804 -8.782 1.00 0.00 C ATOM 1196 CG2 VAL A 84 -4.661 5.047 -6.409 1.00 0.00 C ATOM 0 H VAL A 84 -5.517 2.186 -7.148 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.852 4.639 -8.068 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.894 3.899 -8.033 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.512 6.275 -8.531 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.438 5.466 -9.818 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.270 6.526 -8.655 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.708 5.532 -6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.475 5.746 -6.215 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.774 4.172 -5.769 1.00 0.00 H new ATOM 1206 N GLY A 85 -4.974 2.744 -10.034 1.00 0.00 N ATOM 1207 CA GLY A 85 -4.837 2.319 -11.413 1.00 0.00 C ATOM 1208 C GLY A 85 -5.209 0.868 -11.604 1.00 0.00 C ATOM 1209 O GLY A 85 -6.364 0.556 -11.897 1.00 0.00 O ATOM 0 H GLY A 85 -4.218 2.449 -9.416 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.469 2.941 -12.047 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.808 2.474 -11.738 1.00 0.00 H new TER 1213 GLY A 85