USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 579 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 65 SER OG : rot 116:sc= 1.82 USER MOD Set 1.2: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 12 MET CE :methyl -178:sc= 0 (180deg=0) USER MOD Set 2.2: A 17 CYS SG : rot -168:sc= -3.36 USER MOD Set 3.1: A 3 SER OG : rot 180:sc= 0.0738 USER MOD Set 3.2: A 47 TYR OH : rot -164:sc= 0.771 USER MOD Single : A 1 ASN : amide:sc= 0.0963 X(o=0.096,f=0) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 25:sc= 0.608 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= -0.0878 K(o=-0.088,f=-1.4) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -172:sc= 0.649! (180deg=0.157!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.0989 X(o=0.099,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 84:sc= 0.0725 USER MOD Single : A 26 SER OG : rot -44:sc= 0.812 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -46:sc= 0.0445 USER MOD Single : A 33 SER OG : rot 39:sc= 1.28 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.365 X(o=-0.36,f=-0.12) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc=-0.00706 X(o=-0.0071,f=-0.28) USER MOD Single : A 50 SER OG : rot -23:sc= 0.52 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.156 USER MOD Single : A 56 SER OG : rot -36:sc= 1.14 USER MOD Single : A 59 LYS NZ :NH3+ 142:sc= 0.357 (180deg=-0.934!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -12.987 -14.864 -6.701 1.00 0.00 N ATOM 2 CA ASN A 1 -11.931 -13.901 -7.052 1.00 0.00 C ATOM 3 C ASN A 1 -11.907 -12.570 -6.248 1.00 0.00 C ATOM 4 O ASN A 1 -12.926 -11.919 -6.015 1.00 0.00 O ATOM 5 CB ASN A 1 -12.018 -13.678 -8.574 1.00 0.00 C ATOM 6 CG ASN A 1 -11.025 -12.684 -9.177 1.00 0.00 C ATOM 7 OD1 ASN A 1 -11.390 -11.932 -10.069 1.00 0.00 O ATOM 8 ND2 ASN A 1 -9.767 -12.665 -8.774 1.00 0.00 N ATOM 0 H1 ASN A 1 -12.901 -15.708 -7.302 1.00 0.00 H new ATOM 0 H2 ASN A 1 -12.889 -15.138 -5.703 1.00 0.00 H new ATOM 0 H3 ASN A 1 -13.919 -14.427 -6.850 1.00 0.00 H new ATOM 0 HA ASN A 1 -10.976 -14.337 -6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -11.880 -14.640 -9.068 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -13.026 -13.339 -8.812 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -9.102 -12.024 -9.207 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -9.460 -13.292 -8.030 1.00 0.00 H new ATOM 15 N ASP A 2 -10.685 -12.206 -5.864 1.00 0.00 N ATOM 16 CA ASP A 2 -10.161 -10.970 -5.287 1.00 0.00 C ATOM 17 C ASP A 2 -10.074 -9.770 -6.264 1.00 0.00 C ATOM 18 O ASP A 2 -10.308 -9.890 -7.463 1.00 0.00 O ATOM 19 CB ASP A 2 -8.750 -11.315 -4.750 1.00 0.00 C ATOM 20 CG ASP A 2 -7.830 -11.967 -5.809 1.00 0.00 C ATOM 21 OD1 ASP A 2 -8.148 -13.105 -6.242 1.00 0.00 O ATOM 22 OD2 ASP A 2 -6.816 -11.339 -6.173 1.00 0.00 O ATOM 0 H ASP A 2 -9.924 -12.878 -5.968 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.854 -10.635 -4.515 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.278 -10.405 -4.381 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.848 -11.990 -3.900 1.00 0.00 H new ATOM 27 N SER A 3 -9.716 -8.599 -5.736 1.00 0.00 N ATOM 28 CA SER A 3 -9.354 -7.391 -6.479 1.00 0.00 C ATOM 29 C SER A 3 -7.887 -6.994 -6.215 1.00 0.00 C ATOM 30 O SER A 3 -7.163 -7.634 -5.449 1.00 0.00 O ATOM 31 CB SER A 3 -10.276 -6.237 -6.052 1.00 0.00 C ATOM 32 OG SER A 3 -10.196 -5.140 -6.946 1.00 0.00 O ATOM 0 H SER A 3 -9.668 -8.460 -4.727 1.00 0.00 H new ATOM 0 HA SER A 3 -9.470 -7.594 -7.544 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.305 -6.593 -6.005 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.006 -5.908 -5.048 1.00 0.00 H new ATOM 0 HG SER A 3 -10.796 -4.427 -6.643 1.00 0.00 H new ATOM 38 N THR A 4 -7.431 -5.892 -6.817 1.00 0.00 N ATOM 39 CA THR A 4 -6.048 -5.398 -6.749 1.00 0.00 C ATOM 40 C THR A 4 -6.005 -3.910 -7.049 1.00 0.00 C ATOM 41 O THR A 4 -6.794 -3.390 -7.831 1.00 0.00 O ATOM 42 CB THR A 4 -5.148 -6.211 -7.695 1.00 0.00 C ATOM 43 OG1 THR A 4 -4.826 -7.398 -7.032 1.00 0.00 O ATOM 44 CG2 THR A 4 -3.802 -5.577 -8.060 1.00 0.00 C ATOM 0 H THR A 4 -8.034 -5.297 -7.385 1.00 0.00 H new ATOM 0 HA THR A 4 -5.663 -5.534 -5.738 1.00 0.00 H new ATOM 0 HB THR A 4 -5.717 -6.312 -8.619 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.521 -7.603 -6.373 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.257 -6.241 -8.731 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.972 -4.621 -8.556 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.218 -5.417 -7.154 1.00 0.00 H new ATOM 52 N ALA A 5 -5.047 -3.229 -6.425 1.00 0.00 N ATOM 53 CA ALA A 5 -4.711 -1.835 -6.680 1.00 0.00 C ATOM 54 C ALA A 5 -3.210 -1.567 -6.493 1.00 0.00 C ATOM 55 O ALA A 5 -2.509 -2.305 -5.785 1.00 0.00 O ATOM 56 CB ALA A 5 -5.557 -0.959 -5.754 1.00 0.00 C ATOM 0 H ALA A 5 -4.464 -3.650 -5.702 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.934 -1.593 -7.719 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.320 0.090 -5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.614 -1.131 -5.956 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.340 -1.211 -4.716 1.00 0.00 H new ATOM 62 N THR A 6 -2.735 -0.486 -7.121 1.00 0.00 N ATOM 63 CA THR A 6 -1.342 -0.042 -7.089 1.00 0.00 C ATOM 64 C THR A 6 -1.260 1.364 -6.530 1.00 0.00 C ATOM 65 O THR A 6 -2.072 2.232 -6.854 1.00 0.00 O ATOM 66 CB THR A 6 -0.726 -0.068 -8.484 1.00 0.00 C ATOM 67 OG1 THR A 6 -0.877 -1.357 -9.026 1.00 0.00 O ATOM 68 CG2 THR A 6 0.766 0.245 -8.449 1.00 0.00 C ATOM 0 H THR A 6 -3.331 0.122 -7.683 1.00 0.00 H new ATOM 0 HA THR A 6 -0.785 -0.726 -6.449 1.00 0.00 H new ATOM 0 HB THR A 6 -1.234 0.687 -9.084 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.485 -1.382 -9.924 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.168 0.217 -9.462 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.920 1.237 -8.025 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.279 -0.495 -7.835 1.00 0.00 H new ATOM 76 N PHE A 7 -0.232 1.577 -5.714 1.00 0.00 N ATOM 77 CA PHE A 7 0.037 2.820 -5.001 1.00 0.00 C ATOM 78 C PHE A 7 1.530 3.149 -5.014 1.00 0.00 C ATOM 79 O PHE A 7 2.378 2.259 -4.946 1.00 0.00 O ATOM 80 CB PHE A 7 -0.461 2.723 -3.553 1.00 0.00 C ATOM 81 CG PHE A 7 -1.889 2.217 -3.419 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.179 0.833 -3.397 1.00 0.00 C ATOM 83 CD2 PHE A 7 -2.950 3.144 -3.417 1.00 0.00 C ATOM 84 CE1 PHE A 7 -3.504 0.392 -3.419 1.00 0.00 C ATOM 85 CE2 PHE A 7 -4.279 2.691 -3.432 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.555 1.318 -3.451 1.00 0.00 C ATOM 0 H PHE A 7 0.465 0.857 -5.524 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.498 3.621 -5.511 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.201 2.060 -2.996 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.391 3.707 -3.089 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.373 0.115 -3.363 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.741 4.204 -3.404 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.719 -0.666 -3.411 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.091 3.403 -3.429 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.578 0.973 -3.490 1.00 0.00 H new ATOM 96 N ILE A 8 1.874 4.430 -5.066 1.00 0.00 N ATOM 97 CA ILE A 8 3.237 4.938 -5.077 1.00 0.00 C ATOM 98 C ILE A 8 3.416 6.047 -4.050 1.00 0.00 C ATOM 99 O ILE A 8 2.555 6.913 -3.906 1.00 0.00 O ATOM 100 CB ILE A 8 3.590 5.345 -6.519 1.00 0.00 C ATOM 101 CG1 ILE A 8 5.109 5.528 -6.624 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.824 6.571 -7.035 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.642 5.363 -8.048 1.00 0.00 C ATOM 0 H ILE A 8 1.178 5.175 -5.103 1.00 0.00 H new ATOM 0 HA ILE A 8 3.944 4.167 -4.772 1.00 0.00 H new ATOM 0 HB ILE A 8 3.266 4.538 -7.176 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.375 6.519 -6.257 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.601 4.805 -5.973 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.133 6.789 -8.057 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.754 6.366 -7.015 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.041 7.430 -6.400 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.723 5.505 -8.051 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.407 4.363 -8.411 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.177 6.104 -8.699 1.00 0.00 H new ATOM 115 N ILE A 9 4.510 5.966 -3.296 1.00 0.00 N ATOM 116 CA ILE A 9 4.761 6.783 -2.120 1.00 0.00 C ATOM 117 C ILE A 9 5.963 7.711 -2.376 1.00 0.00 C ATOM 118 O ILE A 9 7.118 7.316 -2.227 1.00 0.00 O ATOM 119 CB ILE A 9 5.007 5.906 -0.871 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.041 4.759 -0.473 1.00 0.00 C ATOM 121 CG2 ILE A 9 5.090 6.878 0.326 1.00 0.00 C ATOM 122 CD1 ILE A 9 3.730 3.670 -1.497 1.00 0.00 C ATOM 0 H ILE A 9 5.265 5.310 -3.495 1.00 0.00 H new ATOM 0 HA ILE A 9 3.877 7.390 -1.927 1.00 0.00 H new ATOM 0 HB ILE A 9 5.900 5.345 -1.145 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.453 4.273 0.411 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.095 5.212 -0.176 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.264 6.313 1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.911 7.578 0.170 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.154 7.430 0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.041 2.947 -1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.274 4.120 -2.379 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.653 3.165 -1.783 1.00 0.00 H new ATOM 134 N ASP A 10 5.698 8.972 -2.699 1.00 0.00 N ATOM 135 CA ASP A 10 6.705 10.021 -2.954 1.00 0.00 C ATOM 136 C ASP A 10 7.312 10.598 -1.649 1.00 0.00 C ATOM 137 O ASP A 10 7.438 11.809 -1.473 1.00 0.00 O ATOM 138 CB ASP A 10 6.029 11.071 -3.852 1.00 0.00 C ATOM 139 CG ASP A 10 6.960 12.088 -4.514 1.00 0.00 C ATOM 140 OD1 ASP A 10 8.052 11.696 -4.976 1.00 0.00 O ATOM 141 OD2 ASP A 10 6.527 13.266 -4.573 1.00 0.00 O ATOM 0 H ASP A 10 4.742 9.315 -2.797 1.00 0.00 H new ATOM 0 HA ASP A 10 7.575 9.611 -3.467 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.478 10.550 -4.635 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.297 11.614 -3.254 1.00 0.00 H new ATOM 146 N GLY A 11 7.591 9.717 -0.679 1.00 0.00 N ATOM 147 CA GLY A 11 8.008 10.066 0.694 1.00 0.00 C ATOM 148 C GLY A 11 8.427 8.859 1.537 1.00 0.00 C ATOM 149 O GLY A 11 8.334 8.862 2.759 1.00 0.00 O ATOM 0 H GLY A 11 7.532 8.710 -0.828 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.840 10.769 0.644 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.187 10.579 1.194 1.00 0.00 H new ATOM 153 N MET A 12 8.839 7.788 0.865 1.00 0.00 N ATOM 154 CA MET A 12 9.085 6.457 1.419 1.00 0.00 C ATOM 155 C MET A 12 10.563 6.241 1.764 1.00 0.00 C ATOM 156 O MET A 12 11.428 6.505 0.937 1.00 0.00 O ATOM 157 CB MET A 12 8.620 5.485 0.331 1.00 0.00 C ATOM 158 CG MET A 12 8.344 4.052 0.734 1.00 0.00 C ATOM 159 SD MET A 12 7.552 3.069 -0.571 1.00 0.00 S ATOM 160 CE MET A 12 8.600 1.592 -0.647 1.00 0.00 C ATOM 0 H MET A 12 9.021 7.826 -0.138 1.00 0.00 H new ATOM 0 HA MET A 12 8.550 6.311 2.358 1.00 0.00 H new ATOM 0 HB2 MET A 12 7.710 5.889 -0.112 1.00 0.00 H new ATOM 0 HB3 MET A 12 9.378 5.472 -0.453 1.00 0.00 H new ATOM 0 HG2 MET A 12 9.283 3.576 1.017 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.706 4.048 1.618 1.00 0.00 H new ATOM 0 HE1 MET A 12 8.239 0.930 -1.434 1.00 0.00 H new ATOM 0 HE2 MET A 12 9.627 1.885 -0.863 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.565 1.071 0.310 1.00 0.00 H new ATOM 170 N HIS A 13 10.839 5.671 2.944 1.00 0.00 N ATOM 171 CA HIS A 13 12.177 5.377 3.519 1.00 0.00 C ATOM 172 C HIS A 13 13.109 4.410 2.721 1.00 0.00 C ATOM 173 O HIS A 13 13.982 3.763 3.308 1.00 0.00 O ATOM 174 CB HIS A 13 12.012 4.827 4.953 1.00 0.00 C ATOM 175 CG HIS A 13 11.055 5.528 5.883 1.00 0.00 C ATOM 176 ND1 HIS A 13 10.400 4.941 6.948 1.00 0.00 N ATOM 177 CD2 HIS A 13 10.747 6.861 5.906 1.00 0.00 C ATOM 178 CE1 HIS A 13 9.706 5.897 7.586 1.00 0.00 C ATOM 179 NE2 HIS A 13 9.894 7.079 6.985 1.00 0.00 N ATOM 0 H HIS A 13 10.090 5.380 3.572 1.00 0.00 H new ATOM 0 HA HIS A 13 12.686 6.340 3.481 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.697 3.786 4.875 1.00 0.00 H new ATOM 0 HB3 HIS A 13 12.995 4.829 5.425 1.00 0.00 H new ATOM 0 HD1 HIS A 13 10.437 3.955 7.205 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.101 7.609 5.212 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.087 5.736 8.456 1.00 0.00 H new ATOM 187 N CYS A 14 12.895 4.240 1.413 1.00 0.00 N ATOM 188 CA CYS A 14 13.736 3.528 0.437 1.00 0.00 C ATOM 189 C CYS A 14 13.734 1.999 0.604 1.00 0.00 C ATOM 190 O CYS A 14 13.299 1.305 -0.306 1.00 0.00 O ATOM 191 CB CYS A 14 15.149 4.133 0.413 1.00 0.00 C ATOM 192 SG CYS A 14 15.049 5.810 -0.282 1.00 0.00 S ATOM 0 H CYS A 14 12.062 4.627 0.970 1.00 0.00 H new ATOM 0 HA CYS A 14 13.286 3.680 -0.544 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.564 4.165 1.420 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.816 3.514 -0.187 1.00 0.00 H new ATOM 0 HG CYS A 14 16.236 6.340 -0.309 1.00 0.00 H new ATOM 198 N LYS A 15 14.200 1.468 1.741 1.00 0.00 N ATOM 199 CA LYS A 15 14.230 0.024 2.038 1.00 0.00 C ATOM 200 C LYS A 15 13.474 -0.357 3.322 1.00 0.00 C ATOM 201 O LYS A 15 12.569 -1.181 3.260 1.00 0.00 O ATOM 202 CB LYS A 15 15.698 -0.463 2.057 1.00 0.00 C ATOM 203 CG LYS A 15 16.003 -1.521 0.982 1.00 0.00 C ATOM 204 CD LYS A 15 15.907 -0.988 -0.457 1.00 0.00 C ATOM 205 CE LYS A 15 16.298 -2.081 -1.457 1.00 0.00 C ATOM 206 NZ LYS A 15 16.167 -1.615 -2.853 1.00 0.00 N ATOM 0 H LYS A 15 14.575 2.039 2.498 1.00 0.00 H new ATOM 0 HA LYS A 15 13.691 -0.490 1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.359 0.392 1.913 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.923 -0.878 3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.006 -1.915 1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.310 -2.354 1.098 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.891 -0.648 -0.659 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.562 -0.125 -0.577 1.00 0.00 H new ATOM 0 HE2 LYS A 15 17.326 -2.393 -1.272 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.667 -2.957 -1.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.308 -2.416 -3.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.218 -1.215 -2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.883 -0.885 -3.044 1.00 0.00 H new ATOM 220 N SER A 16 13.747 0.234 4.490 1.00 0.00 N ATOM 221 CA SER A 16 13.027 -0.149 5.727 1.00 0.00 C ATOM 222 C SER A 16 11.535 0.198 5.689 1.00 0.00 C ATOM 223 O SER A 16 10.761 -0.476 6.358 1.00 0.00 O ATOM 224 CB SER A 16 13.684 0.459 6.970 1.00 0.00 C ATOM 225 OG SER A 16 13.930 1.845 6.802 1.00 0.00 O ATOM 0 H SER A 16 14.446 0.966 4.613 1.00 0.00 H new ATOM 0 HA SER A 16 13.099 -1.235 5.786 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.040 0.305 7.836 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.622 -0.056 7.176 1.00 0.00 H new ATOM 0 HG SER A 16 14.348 2.204 7.613 1.00 0.00 H new ATOM 231 N CYS A 17 11.107 1.156 4.851 1.00 0.00 N ATOM 232 CA CYS A 17 9.698 1.414 4.530 1.00 0.00 C ATOM 233 C CYS A 17 8.974 0.094 4.246 1.00 0.00 C ATOM 234 O CYS A 17 8.019 -0.232 4.941 1.00 0.00 O ATOM 235 CB CYS A 17 9.617 2.335 3.295 1.00 0.00 C ATOM 236 SG CYS A 17 10.845 1.829 2.056 1.00 0.00 S ATOM 0 H CYS A 17 11.747 1.786 4.368 1.00 0.00 H new ATOM 0 HA CYS A 17 9.217 1.901 5.378 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.616 2.292 2.865 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.793 3.369 3.591 1.00 0.00 H new ATOM 0 HG CYS A 17 10.944 2.748 1.142 1.00 0.00 H new ATOM 242 N VAL A 18 9.493 -0.658 3.273 1.00 0.00 N ATOM 243 CA VAL A 18 8.943 -1.881 2.694 1.00 0.00 C ATOM 244 C VAL A 18 8.491 -2.844 3.779 1.00 0.00 C ATOM 245 O VAL A 18 7.325 -3.215 3.812 1.00 0.00 O ATOM 246 CB VAL A 18 10.000 -2.565 1.784 1.00 0.00 C ATOM 247 CG1 VAL A 18 9.548 -3.939 1.280 1.00 0.00 C ATOM 248 CG2 VAL A 18 10.394 -1.622 0.631 1.00 0.00 C ATOM 0 H VAL A 18 10.379 -0.405 2.836 1.00 0.00 H new ATOM 0 HA VAL A 18 8.074 -1.610 2.094 1.00 0.00 H new ATOM 0 HB VAL A 18 10.886 -2.756 2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.326 -4.369 0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.365 -4.596 2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.631 -3.831 0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.135 -2.110 -0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.511 -1.384 0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.815 -0.703 1.040 1.00 0.00 H new ATOM 258 N SER A 19 9.380 -3.168 4.717 1.00 0.00 N ATOM 259 CA SER A 19 9.071 -4.154 5.761 1.00 0.00 C ATOM 260 C SER A 19 7.944 -3.694 6.702 1.00 0.00 C ATOM 261 O SER A 19 7.267 -4.541 7.279 1.00 0.00 O ATOM 262 CB SER A 19 10.353 -4.416 6.561 1.00 0.00 C ATOM 263 OG SER A 19 10.145 -5.354 7.602 1.00 0.00 O ATOM 0 H SER A 19 10.316 -2.767 4.779 1.00 0.00 H new ATOM 0 HA SER A 19 8.714 -5.064 5.280 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.130 -4.784 5.891 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.715 -3.479 6.984 1.00 0.00 H new ATOM 0 HG SER A 19 10.984 -5.495 8.087 1.00 0.00 H new ATOM 269 N ASN A 20 7.720 -2.384 6.861 1.00 0.00 N ATOM 270 CA ASN A 20 6.511 -1.880 7.519 1.00 0.00 C ATOM 271 C ASN A 20 5.296 -2.063 6.607 1.00 0.00 C ATOM 272 O ASN A 20 4.295 -2.627 7.022 1.00 0.00 O ATOM 273 CB ASN A 20 6.596 -0.390 7.837 1.00 0.00 C ATOM 274 CG ASN A 20 7.706 0.008 8.774 1.00 0.00 C ATOM 275 OD1 ASN A 20 7.559 0.055 9.984 1.00 0.00 O ATOM 276 ND2 ASN A 20 8.848 0.368 8.243 1.00 0.00 N ATOM 0 H ASN A 20 8.360 -1.656 6.543 1.00 0.00 H new ATOM 0 HA ASN A 20 6.415 -2.448 8.445 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.719 0.157 6.902 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.647 -0.073 8.270 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.611 0.686 8.841 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.975 0.330 7.232 1.00 0.00 H new ATOM 283 N ILE A 21 5.360 -1.573 5.361 1.00 0.00 N ATOM 284 CA ILE A 21 4.190 -1.497 4.460 1.00 0.00 C ATOM 285 C ILE A 21 3.644 -2.895 4.170 1.00 0.00 C ATOM 286 O ILE A 21 2.446 -3.123 4.293 1.00 0.00 O ATOM 287 CB ILE A 21 4.494 -0.761 3.126 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.568 0.348 3.258 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.164 -0.288 2.501 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.486 1.506 2.255 1.00 0.00 C ATOM 0 H ILE A 21 6.221 -1.217 4.945 1.00 0.00 H new ATOM 0 HA ILE A 21 3.437 -0.909 4.985 1.00 0.00 H new ATOM 0 HB ILE A 21 4.960 -1.464 2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.507 0.763 4.264 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.550 -0.116 3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.366 0.230 1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.526 -1.150 2.308 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.660 0.390 3.189 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.290 2.215 2.451 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.584 1.117 1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.525 2.010 2.359 1.00 0.00 H new ATOM 302 N GLU A 22 4.542 -3.833 3.879 1.00 0.00 N ATOM 303 CA GLU A 22 4.265 -5.253 3.663 1.00 0.00 C ATOM 304 C GLU A 22 3.632 -5.934 4.893 1.00 0.00 C ATOM 305 O GLU A 22 2.930 -6.927 4.748 1.00 0.00 O ATOM 306 CB GLU A 22 5.584 -5.920 3.216 1.00 0.00 C ATOM 307 CG GLU A 22 5.956 -5.452 1.794 1.00 0.00 C ATOM 308 CD GLU A 22 6.694 -6.499 0.967 1.00 0.00 C ATOM 309 OE1 GLU A 22 7.776 -6.925 1.426 1.00 0.00 O ATOM 310 OE2 GLU A 22 6.210 -6.781 -0.159 1.00 0.00 O ATOM 0 H GLU A 22 5.533 -3.613 3.782 1.00 0.00 H new ATOM 0 HA GLU A 22 3.512 -5.368 2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.384 -5.666 3.912 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.477 -7.005 3.235 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.046 -5.165 1.268 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.577 -4.559 1.868 1.00 0.00 H new ATOM 317 N SER A 23 3.797 -5.372 6.094 1.00 0.00 N ATOM 318 CA SER A 23 3.109 -5.803 7.317 1.00 0.00 C ATOM 319 C SER A 23 1.789 -5.058 7.581 1.00 0.00 C ATOM 320 O SER A 23 0.734 -5.687 7.664 1.00 0.00 O ATOM 321 CB SER A 23 4.080 -5.643 8.498 1.00 0.00 C ATOM 322 OG SER A 23 3.482 -6.040 9.720 1.00 0.00 O ATOM 0 H SER A 23 4.428 -4.585 6.248 1.00 0.00 H new ATOM 0 HA SER A 23 2.822 -6.847 7.191 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.974 -6.240 8.319 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.400 -4.603 8.569 1.00 0.00 H new ATOM 0 HG SER A 23 4.125 -5.928 10.451 1.00 0.00 H new ATOM 328 N THR A 24 1.844 -3.726 7.708 1.00 0.00 N ATOM 329 CA THR A 24 0.732 -2.812 8.017 1.00 0.00 C ATOM 330 C THR A 24 -0.430 -2.962 7.049 1.00 0.00 C ATOM 331 O THR A 24 -1.582 -2.918 7.476 1.00 0.00 O ATOM 332 CB THR A 24 1.257 -1.363 8.037 1.00 0.00 C ATOM 333 OG1 THR A 24 2.266 -1.277 9.012 1.00 0.00 O ATOM 334 CG2 THR A 24 0.182 -0.335 8.393 1.00 0.00 C ATOM 0 H THR A 24 2.724 -3.223 7.590 1.00 0.00 H new ATOM 0 HA THR A 24 0.341 -3.072 9.001 1.00 0.00 H new ATOM 0 HB THR A 24 1.615 -1.136 7.033 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.119 -1.566 8.626 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.618 0.664 8.389 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.623 -0.382 7.660 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.216 -0.553 9.384 1.00 0.00 H new ATOM 342 N LEU A 25 -0.146 -3.149 5.759 1.00 0.00 N ATOM 343 CA LEU A 25 -1.175 -3.459 4.773 1.00 0.00 C ATOM 344 C LEU A 25 -1.654 -4.896 4.897 1.00 0.00 C ATOM 345 O LEU A 25 -2.855 -5.099 4.977 1.00 0.00 O ATOM 346 CB LEU A 25 -0.671 -3.181 3.352 1.00 0.00 C ATOM 347 CG LEU A 25 -0.626 -1.705 2.900 1.00 0.00 C ATOM 348 CD1 LEU A 25 -1.941 -1.353 2.192 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.321 -0.699 4.023 1.00 0.00 C ATOM 0 H LEU A 25 0.797 -3.090 5.374 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.025 -2.807 4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.334 -3.593 3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.304 -3.730 2.655 1.00 0.00 H new ATOM 0 HG LEU A 25 0.216 -1.616 2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.914 -0.312 1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.070 -1.998 1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.775 -1.499 2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.309 0.311 3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.089 -0.769 4.793 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.652 -0.925 4.459 1.00 0.00 H new ATOM 361 N SER A 26 -0.771 -5.898 4.949 1.00 0.00 N ATOM 362 CA SER A 26 -1.178 -7.319 4.952 1.00 0.00 C ATOM 363 C SER A 26 -1.857 -7.773 6.267 1.00 0.00 C ATOM 364 O SER A 26 -2.009 -8.970 6.520 1.00 0.00 O ATOM 365 CB SER A 26 0.020 -8.218 4.619 1.00 0.00 C ATOM 366 OG SER A 26 -0.411 -9.553 4.415 1.00 0.00 O ATOM 0 H SER A 26 0.238 -5.756 4.990 1.00 0.00 H new ATOM 0 HA SER A 26 -1.937 -7.420 4.177 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.523 -7.850 3.725 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.747 -8.183 5.430 1.00 0.00 H new ATOM 0 HG SER A 26 -1.051 -9.801 5.115 1.00 0.00 H new ATOM 372 N ALA A 27 -2.274 -6.820 7.099 1.00 0.00 N ATOM 373 CA ALA A 27 -3.045 -7.024 8.320 1.00 0.00 C ATOM 374 C ALA A 27 -4.516 -6.609 8.142 1.00 0.00 C ATOM 375 O ALA A 27 -5.328 -6.804 9.049 1.00 0.00 O ATOM 376 CB ALA A 27 -2.363 -6.212 9.432 1.00 0.00 C ATOM 0 H ALA A 27 -2.072 -5.835 6.929 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.064 -8.083 8.579 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.912 -6.339 10.365 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.339 -6.563 9.563 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.353 -5.157 9.158 1.00 0.00 H new ATOM 382 N LEU A 28 -4.883 -6.000 7.004 1.00 0.00 N ATOM 383 CA LEU A 28 -6.209 -5.430 6.820 1.00 0.00 C ATOM 384 C LEU A 28 -7.200 -6.565 6.556 1.00 0.00 C ATOM 385 O LEU A 28 -6.985 -7.387 5.670 1.00 0.00 O ATOM 386 CB LEU A 28 -6.198 -4.410 5.669 1.00 0.00 C ATOM 387 CG LEU A 28 -5.221 -3.234 5.865 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.874 -2.587 4.520 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.800 -2.172 6.798 1.00 0.00 C ATOM 0 H LEU A 28 -4.268 -5.894 6.197 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.516 -4.897 7.720 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.942 -4.928 4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.205 -4.012 5.544 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.317 -3.641 6.318 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.183 -1.759 4.682 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.408 -3.327 3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.784 -2.214 4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.083 -1.359 6.913 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.726 -1.783 6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.004 -2.616 7.772 1.00 0.00 H new ATOM 401 N GLN A 29 -8.316 -6.601 7.279 1.00 0.00 N ATOM 402 CA GLN A 29 -9.238 -7.743 7.239 1.00 0.00 C ATOM 403 C GLN A 29 -9.870 -7.996 5.863 1.00 0.00 C ATOM 404 O GLN A 29 -10.354 -9.096 5.630 1.00 0.00 O ATOM 405 CB GLN A 29 -10.320 -7.549 8.304 1.00 0.00 C ATOM 406 CG GLN A 29 -9.737 -7.638 9.721 1.00 0.00 C ATOM 407 CD GLN A 29 -10.779 -7.240 10.751 1.00 0.00 C ATOM 408 OE1 GLN A 29 -10.851 -6.102 11.174 1.00 0.00 O ATOM 409 NE2 GLN A 29 -11.655 -8.130 11.161 1.00 0.00 N ATOM 0 H GLN A 29 -8.609 -5.850 7.904 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.647 -8.635 7.448 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.798 -6.579 8.166 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.094 -8.306 8.180 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.394 -8.654 9.916 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.867 -6.986 9.804 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.608 -9.089 10.816 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.382 -7.862 11.825 1.00 0.00 H new ATOM 418 N TYR A 30 -9.839 -7.020 4.947 1.00 0.00 N ATOM 419 CA TYR A 30 -10.203 -7.216 3.543 1.00 0.00 C ATOM 420 C TYR A 30 -9.045 -7.616 2.612 1.00 0.00 C ATOM 421 O TYR A 30 -9.330 -7.937 1.466 1.00 0.00 O ATOM 422 CB TYR A 30 -10.915 -5.963 2.997 1.00 0.00 C ATOM 423 CG TYR A 30 -10.314 -4.587 3.288 1.00 0.00 C ATOM 424 CD1 TYR A 30 -8.932 -4.321 3.178 1.00 0.00 C ATOM 425 CD2 TYR A 30 -11.182 -3.532 3.649 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.442 -3.029 3.415 1.00 0.00 C ATOM 427 CE2 TYR A 30 -10.689 -2.239 3.908 1.00 0.00 C ATOM 428 CZ TYR A 30 -9.308 -1.982 3.787 1.00 0.00 C ATOM 429 OH TYR A 30 -8.813 -0.738 4.035 1.00 0.00 O ATOM 0 H TYR A 30 -9.558 -6.064 5.164 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.876 -8.073 3.543 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.986 -6.070 1.915 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.933 -5.967 3.385 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.250 -5.115 2.911 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -12.242 -3.721 3.728 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.385 -2.833 3.311 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.365 -1.448 4.198 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.547 -0.136 4.278 1.00 0.00 H new ATOM 439 N VAL A 31 -7.764 -7.555 3.000 1.00 0.00 N ATOM 440 CA VAL A 31 -6.658 -7.745 2.041 1.00 0.00 C ATOM 441 C VAL A 31 -6.204 -9.204 2.034 1.00 0.00 C ATOM 442 O VAL A 31 -6.091 -9.837 3.078 1.00 0.00 O ATOM 443 CB VAL A 31 -5.501 -6.731 2.158 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.540 -6.991 3.273 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.615 -6.696 0.899 1.00 0.00 C ATOM 0 H VAL A 31 -7.466 -7.378 3.959 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.065 -7.514 1.056 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.041 -5.799 2.328 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.765 -6.225 3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.071 -6.967 4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.082 -7.971 3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.817 -5.966 1.036 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.180 -7.682 0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.219 -6.416 0.036 1.00 0.00 H new ATOM 455 N SER A 32 -5.988 -9.746 0.839 1.00 0.00 N ATOM 456 CA SER A 32 -5.691 -11.165 0.633 1.00 0.00 C ATOM 457 C SER A 32 -4.224 -11.425 0.250 1.00 0.00 C ATOM 458 O SER A 32 -3.795 -12.576 0.274 1.00 0.00 O ATOM 459 CB SER A 32 -6.631 -11.702 -0.451 1.00 0.00 C ATOM 460 OG SER A 32 -6.691 -13.114 -0.402 1.00 0.00 O ATOM 0 H SER A 32 -6.014 -9.207 -0.027 1.00 0.00 H new ATOM 0 HA SER A 32 -5.850 -11.685 1.577 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.629 -11.285 -0.314 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.284 -11.381 -1.433 1.00 0.00 H new ATOM 0 HG SER A 32 -5.785 -13.477 -0.317 1.00 0.00 H new ATOM 466 N SER A 33 -3.460 -10.383 -0.108 1.00 0.00 N ATOM 467 CA SER A 33 -2.056 -10.392 -0.545 1.00 0.00 C ATOM 468 C SER A 33 -1.528 -8.980 -0.867 1.00 0.00 C ATOM 469 O SER A 33 -2.258 -7.987 -0.890 1.00 0.00 O ATOM 470 CB SER A 33 -1.865 -11.327 -1.750 1.00 0.00 C ATOM 471 OG SER A 33 -1.680 -12.652 -1.304 1.00 0.00 O ATOM 0 H SER A 33 -3.838 -9.436 -0.099 1.00 0.00 H new ATOM 0 HA SER A 33 -1.469 -10.770 0.292 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.734 -11.273 -2.405 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.003 -11.008 -2.336 1.00 0.00 H new ATOM 0 HG SER A 33 -2.270 -12.826 -0.541 1.00 0.00 H new ATOM 477 N ILE A 34 -0.237 -8.890 -1.157 1.00 0.00 N ATOM 478 CA ILE A 34 0.560 -7.674 -1.374 1.00 0.00 C ATOM 479 C ILE A 34 1.963 -8.059 -1.869 1.00 0.00 C ATOM 480 O ILE A 34 2.413 -9.167 -1.595 1.00 0.00 O ATOM 481 CB ILE A 34 0.613 -6.805 -0.083 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.371 -5.475 -0.303 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.221 -7.569 1.110 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.136 -4.446 0.806 1.00 0.00 C ATOM 0 H ILE A 34 0.333 -9.730 -1.256 1.00 0.00 H new ATOM 0 HA ILE A 34 0.085 -7.064 -2.142 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.424 -6.569 0.158 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.439 -5.682 -0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.065 -5.045 -1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.237 -6.922 1.987 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.618 -8.452 1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.239 -7.874 0.866 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.698 -3.539 0.586 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.074 -4.209 0.864 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.469 -4.856 1.759 1.00 0.00 H new ATOM 496 N VAL A 35 2.600 -7.151 -2.609 1.00 0.00 N ATOM 497 CA VAL A 35 4.022 -7.148 -2.986 1.00 0.00 C ATOM 498 C VAL A 35 4.483 -5.704 -3.065 1.00 0.00 C ATOM 499 O VAL A 35 3.848 -4.885 -3.736 1.00 0.00 O ATOM 500 CB VAL A 35 4.296 -7.821 -4.353 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.668 -7.469 -4.971 1.00 0.00 C ATOM 502 CG2 VAL A 35 4.269 -9.342 -4.179 1.00 0.00 C ATOM 0 H VAL A 35 2.107 -6.342 -2.988 1.00 0.00 H new ATOM 0 HA VAL A 35 4.562 -7.720 -2.232 1.00 0.00 H new ATOM 0 HB VAL A 35 3.519 -7.450 -5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.779 -7.982 -5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.731 -6.392 -5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.463 -7.785 -4.295 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.461 -9.821 -5.139 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.036 -9.640 -3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.290 -9.649 -3.810 1.00 0.00 H new ATOM 512 N VAL A 36 5.614 -5.407 -2.436 1.00 0.00 N ATOM 513 CA VAL A 36 6.260 -4.087 -2.531 1.00 0.00 C ATOM 514 C VAL A 36 7.502 -4.108 -3.424 1.00 0.00 C ATOM 515 O VAL A 36 8.347 -4.999 -3.389 1.00 0.00 O ATOM 516 CB VAL A 36 6.556 -3.518 -1.138 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.466 -2.286 -1.134 1.00 0.00 C ATOM 518 CG2 VAL A 36 5.255 -3.049 -0.480 1.00 0.00 C ATOM 0 H VAL A 36 6.115 -6.069 -1.844 1.00 0.00 H new ATOM 0 HA VAL A 36 5.553 -3.414 -3.017 1.00 0.00 H new ATOM 0 HB VAL A 36 7.051 -4.335 -0.612 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.621 -1.952 -0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.426 -2.542 -1.582 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.999 -1.487 -1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.472 -2.646 0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.795 -2.275 -1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.570 -3.892 -0.386 1.00 0.00 H new ATOM 528 N SER A 37 7.603 -3.065 -4.243 1.00 0.00 N ATOM 529 CA SER A 37 8.659 -2.880 -5.230 1.00 0.00 C ATOM 530 C SER A 37 9.858 -2.158 -4.607 1.00 0.00 C ATOM 531 O SER A 37 9.977 -0.935 -4.682 1.00 0.00 O ATOM 532 CB SER A 37 8.099 -2.113 -6.430 1.00 0.00 C ATOM 533 OG SER A 37 7.034 -2.830 -7.025 1.00 0.00 O ATOM 0 H SER A 37 6.928 -2.300 -4.236 1.00 0.00 H new ATOM 0 HA SER A 37 9.013 -3.852 -5.575 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.750 -1.131 -6.110 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.888 -1.948 -7.164 1.00 0.00 H new ATOM 0 HG SER A 37 6.686 -2.325 -7.789 1.00 0.00 H new ATOM 539 N LEU A 38 10.740 -2.951 -3.995 1.00 0.00 N ATOM 540 CA LEU A 38 11.971 -2.584 -3.282 1.00 0.00 C ATOM 541 C LEU A 38 12.890 -1.610 -4.023 1.00 0.00 C ATOM 542 O LEU A 38 13.520 -0.759 -3.389 1.00 0.00 O ATOM 543 CB LEU A 38 12.720 -3.902 -2.977 1.00 0.00 C ATOM 544 CG LEU A 38 12.339 -4.502 -1.616 1.00 0.00 C ATOM 545 CD1 LEU A 38 12.668 -5.999 -1.555 1.00 0.00 C ATOM 546 CD2 LEU A 38 13.116 -3.756 -0.521 1.00 0.00 C ATOM 0 H LEU A 38 10.600 -3.961 -3.984 1.00 0.00 H new ATOM 0 HA LEU A 38 11.683 -2.041 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.504 -4.627 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.794 -3.718 -3.000 1.00 0.00 H new ATOM 0 HG LEU A 38 11.265 -4.392 -1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.386 -6.394 -0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.114 -6.525 -2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 38 13.737 -6.143 -1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 38 12.858 -4.169 0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.186 -3.871 -0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.856 -2.698 -0.547 1.00 0.00 H new ATOM 558 N GLU A 39 12.988 -1.739 -5.346 1.00 0.00 N ATOM 559 CA GLU A 39 13.810 -0.857 -6.179 1.00 0.00 C ATOM 560 C GLU A 39 13.072 0.407 -6.663 1.00 0.00 C ATOM 561 O GLU A 39 13.627 1.302 -7.295 1.00 0.00 O ATOM 562 CB GLU A 39 14.412 -1.632 -7.358 1.00 0.00 C ATOM 563 CG GLU A 39 15.199 -2.903 -6.982 1.00 0.00 C ATOM 564 CD GLU A 39 15.937 -2.771 -5.651 1.00 0.00 C ATOM 565 OE1 GLU A 39 16.765 -1.851 -5.480 1.00 0.00 O ATOM 566 OE2 GLU A 39 15.556 -3.483 -4.697 1.00 0.00 O ATOM 0 H GLU A 39 12.498 -2.461 -5.874 1.00 0.00 H new ATOM 0 HA GLU A 39 14.616 -0.499 -5.539 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.606 -1.912 -8.036 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.075 -0.965 -7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.512 -3.748 -6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.918 -3.126 -7.770 1.00 0.00 H new ATOM 573 N ASN A 40 11.787 0.479 -6.356 1.00 0.00 N ATOM 574 CA ASN A 40 10.854 1.561 -6.636 1.00 0.00 C ATOM 575 C ASN A 40 10.367 2.153 -5.301 1.00 0.00 C ATOM 576 O ASN A 40 11.004 1.985 -4.257 1.00 0.00 O ATOM 577 CB ASN A 40 9.701 1.044 -7.508 1.00 0.00 C ATOM 578 CG ASN A 40 10.150 0.340 -8.784 1.00 0.00 C ATOM 579 OD1 ASN A 40 9.454 -0.520 -9.298 1.00 0.00 O ATOM 580 ND2 ASN A 40 11.308 0.673 -9.330 1.00 0.00 N ATOM 0 H ASN A 40 11.329 -0.286 -5.860 1.00 0.00 H new ATOM 0 HA ASN A 40 11.342 2.357 -7.199 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.096 0.354 -6.919 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.058 1.883 -7.776 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.621 0.210 -10.183 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.888 1.392 -8.898 1.00 0.00 H new ATOM 587 N ARG A 41 9.326 2.991 -5.319 1.00 0.00 N ATOM 588 CA ARG A 41 8.636 3.425 -4.097 1.00 0.00 C ATOM 589 C ARG A 41 7.142 3.087 -4.188 1.00 0.00 C ATOM 590 O ARG A 41 6.282 3.900 -3.876 1.00 0.00 O ATOM 591 CB ARG A 41 8.914 4.909 -3.788 1.00 0.00 C ATOM 592 CG ARG A 41 10.351 5.179 -3.319 1.00 0.00 C ATOM 593 CD ARG A 41 11.331 5.362 -4.477 1.00 0.00 C ATOM 594 NE ARG A 41 12.706 5.610 -4.010 1.00 0.00 N ATOM 595 CZ ARG A 41 13.677 4.711 -3.869 1.00 0.00 C ATOM 596 NH1 ARG A 41 13.473 3.406 -3.905 1.00 0.00 N ATOM 597 NH2 ARG A 41 14.911 5.141 -3.702 1.00 0.00 N ATOM 0 H ARG A 41 8.938 3.387 -6.175 1.00 0.00 H new ATOM 0 HA ARG A 41 9.035 2.874 -3.245 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.715 5.501 -4.681 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.220 5.248 -3.019 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.362 6.073 -2.696 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.685 4.351 -2.694 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.318 4.472 -5.106 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.004 6.196 -5.098 1.00 0.00 H new ATOM 0 HE ARG A 41 12.939 6.573 -3.769 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.531 3.041 -4.047 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.257 2.764 -3.791 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.104 6.142 -3.683 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.673 4.473 -3.592 1.00 0.00 H new ATOM 611 N SER A 42 6.814 1.889 -4.665 1.00 0.00 N ATOM 612 CA SER A 42 5.435 1.492 -4.967 1.00 0.00 C ATOM 613 C SER A 42 5.087 0.100 -4.442 1.00 0.00 C ATOM 614 O SER A 42 5.938 -0.781 -4.334 1.00 0.00 O ATOM 615 CB SER A 42 5.141 1.575 -6.477 1.00 0.00 C ATOM 616 OG SER A 42 6.266 1.243 -7.274 1.00 0.00 O ATOM 0 H SER A 42 7.500 1.159 -4.855 1.00 0.00 H new ATOM 0 HA SER A 42 4.800 2.206 -4.443 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.318 0.903 -6.720 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.812 2.584 -6.724 1.00 0.00 H new ATOM 0 HG SER A 42 6.026 1.309 -8.222 1.00 0.00 H new ATOM 622 N ALA A 43 3.801 -0.082 -4.145 1.00 0.00 N ATOM 623 CA ALA A 43 3.191 -1.304 -3.644 1.00 0.00 C ATOM 624 C ALA A 43 2.061 -1.728 -4.583 1.00 0.00 C ATOM 625 O ALA A 43 1.291 -0.898 -5.067 1.00 0.00 O ATOM 626 CB ALA A 43 2.642 -1.014 -2.238 1.00 0.00 C ATOM 0 H ALA A 43 3.119 0.668 -4.256 1.00 0.00 H new ATOM 0 HA ALA A 43 3.920 -2.113 -3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.178 -1.914 -1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.458 -0.704 -1.585 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.900 -0.217 -2.294 1.00 0.00 H new ATOM 632 N ILE A 44 1.952 -3.030 -4.813 1.00 0.00 N ATOM 633 CA ILE A 44 0.825 -3.677 -5.479 1.00 0.00 C ATOM 634 C ILE A 44 0.140 -4.485 -4.379 1.00 0.00 C ATOM 635 O ILE A 44 0.767 -5.348 -3.762 1.00 0.00 O ATOM 636 CB ILE A 44 1.317 -4.539 -6.660 1.00 0.00 C ATOM 637 CG1 ILE A 44 1.995 -3.634 -7.720 1.00 0.00 C ATOM 638 CG2 ILE A 44 0.129 -5.307 -7.269 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.699 -4.409 -8.840 1.00 0.00 C ATOM 0 H ILE A 44 2.674 -3.692 -4.530 1.00 0.00 H new ATOM 0 HA ILE A 44 0.124 -2.973 -5.928 1.00 0.00 H new ATOM 0 HB ILE A 44 2.051 -5.263 -6.307 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.242 -2.981 -8.161 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.722 -2.992 -7.223 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.478 -5.915 -8.103 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.315 -5.952 -6.510 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.618 -4.598 -7.625 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.149 -3.706 -9.542 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.476 -5.042 -8.412 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.973 -5.031 -9.364 1.00 0.00 H new ATOM 651 N VAL A 45 -1.104 -4.130 -4.079 1.00 0.00 N ATOM 652 CA VAL A 45 -1.880 -4.609 -2.926 1.00 0.00 C ATOM 653 C VAL A 45 -3.101 -5.349 -3.471 1.00 0.00 C ATOM 654 O VAL A 45 -3.805 -4.808 -4.323 1.00 0.00 O ATOM 655 CB VAL A 45 -2.326 -3.423 -2.048 1.00 0.00 C ATOM 656 CG1 VAL A 45 -3.006 -3.928 -0.769 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.161 -2.490 -1.663 1.00 0.00 C ATOM 0 H VAL A 45 -1.629 -3.471 -4.655 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.273 -5.270 -2.307 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.029 -2.846 -2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.314 -3.078 -0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.881 -4.522 -1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.306 -4.544 -0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.537 -1.674 -1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.413 -3.053 -1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.708 -2.082 -2.566 1.00 0.00 H new ATOM 667 N VAL A 46 -3.345 -6.567 -2.989 1.00 0.00 N ATOM 668 CA VAL A 46 -4.313 -7.518 -3.553 1.00 0.00 C ATOM 669 C VAL A 46 -5.405 -7.795 -2.511 1.00 0.00 C ATOM 670 O VAL A 46 -5.169 -8.513 -1.542 1.00 0.00 O ATOM 671 CB VAL A 46 -3.560 -8.814 -3.946 1.00 0.00 C ATOM 672 CG1 VAL A 46 -4.464 -9.884 -4.565 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.343 -8.559 -4.858 1.00 0.00 C ATOM 0 H VAL A 46 -2.861 -6.934 -2.170 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.790 -7.111 -4.444 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.193 -9.202 -2.996 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.869 -10.763 -4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.240 -10.162 -3.852 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.927 -9.490 -5.470 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.861 -9.507 -5.095 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.673 -8.079 -5.779 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.633 -7.910 -4.345 1.00 0.00 H new ATOM 683 N TYR A 47 -6.587 -7.192 -2.662 1.00 0.00 N ATOM 684 CA TYR A 47 -7.647 -7.165 -1.640 1.00 0.00 C ATOM 685 C TYR A 47 -8.974 -7.784 -2.102 1.00 0.00 C ATOM 686 O TYR A 47 -9.409 -7.578 -3.228 1.00 0.00 O ATOM 687 CB TYR A 47 -7.856 -5.721 -1.153 1.00 0.00 C ATOM 688 CG TYR A 47 -8.534 -4.803 -2.159 1.00 0.00 C ATOM 689 CD1 TYR A 47 -7.791 -4.231 -3.211 1.00 0.00 C ATOM 690 CD2 TYR A 47 -9.914 -4.536 -2.061 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.403 -3.353 -4.124 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.537 -3.685 -2.992 1.00 0.00 C ATOM 693 CZ TYR A 47 -9.779 -3.064 -4.007 1.00 0.00 C ATOM 694 OH TYR A 47 -10.378 -2.189 -4.861 1.00 0.00 O ATOM 0 H TYR A 47 -6.843 -6.697 -3.516 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.307 -7.793 -0.817 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.453 -5.742 -0.241 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.887 -5.297 -0.890 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.743 -4.469 -3.317 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.495 -4.986 -1.269 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.821 -2.901 -4.913 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.600 -3.506 -2.929 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.240 -1.908 -4.490 1.00 0.00 H new ATOM 704 N ASN A 48 -9.664 -8.515 -1.231 1.00 0.00 N ATOM 705 CA ASN A 48 -10.853 -9.279 -1.602 1.00 0.00 C ATOM 706 C ASN A 48 -12.122 -8.434 -1.421 1.00 0.00 C ATOM 707 O ASN A 48 -12.507 -8.120 -0.296 1.00 0.00 O ATOM 708 CB ASN A 48 -10.907 -10.590 -0.804 1.00 0.00 C ATOM 709 CG ASN A 48 -11.989 -11.504 -1.366 1.00 0.00 C ATOM 710 OD1 ASN A 48 -13.172 -11.303 -1.139 1.00 0.00 O ATOM 711 ND2 ASN A 48 -11.616 -12.475 -2.179 1.00 0.00 N ATOM 0 H ASN A 48 -9.414 -8.595 -0.245 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.796 -9.539 -2.659 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.940 -11.090 -0.847 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.110 -10.377 0.246 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.318 -13.066 -2.624 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.625 -12.635 -2.362 1.00 0.00 H new ATOM 718 N ALA A 49 -12.762 -8.057 -2.536 1.00 0.00 N ATOM 719 CA ALA A 49 -13.946 -7.198 -2.581 1.00 0.00 C ATOM 720 C ALA A 49 -14.423 -6.949 -4.020 1.00 0.00 C ATOM 721 O ALA A 49 -13.654 -6.487 -4.854 1.00 0.00 O ATOM 722 CB ALA A 49 -13.612 -5.845 -1.942 1.00 0.00 C ATOM 0 H ALA A 49 -12.456 -8.354 -3.463 1.00 0.00 H new ATOM 0 HA ALA A 49 -14.742 -7.707 -2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -14.491 -5.201 -1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -13.310 -5.997 -0.906 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.798 -5.374 -2.492 1.00 0.00 H new ATOM 728 N SER A 50 -15.718 -7.124 -4.291 1.00 0.00 N ATOM 729 CA SER A 50 -16.319 -6.701 -5.569 1.00 0.00 C ATOM 730 C SER A 50 -16.761 -5.225 -5.543 1.00 0.00 C ATOM 731 O SER A 50 -17.158 -4.683 -6.569 1.00 0.00 O ATOM 732 CB SER A 50 -17.533 -7.585 -5.898 1.00 0.00 C ATOM 733 OG SER A 50 -18.095 -7.237 -7.152 1.00 0.00 O ATOM 0 H SER A 50 -16.377 -7.557 -3.644 1.00 0.00 H new ATOM 0 HA SER A 50 -15.553 -6.811 -6.336 1.00 0.00 H new ATOM 0 HB2 SER A 50 -17.231 -8.632 -5.910 1.00 0.00 H new ATOM 0 HB3 SER A 50 -18.286 -7.479 -5.117 1.00 0.00 H new ATOM 0 HG SER A 50 -17.852 -6.314 -7.374 1.00 0.00 H new ATOM 739 N SER A 51 -16.743 -4.568 -4.380 1.00 0.00 N ATOM 740 CA SER A 51 -17.268 -3.208 -4.207 1.00 0.00 C ATOM 741 C SER A 51 -16.633 -2.510 -2.990 1.00 0.00 C ATOM 742 O SER A 51 -17.306 -2.130 -2.038 1.00 0.00 O ATOM 743 CB SER A 51 -18.805 -3.211 -4.163 1.00 0.00 C ATOM 744 OG SER A 51 -19.291 -1.919 -4.477 1.00 0.00 O ATOM 0 H SER A 51 -16.360 -4.968 -3.523 1.00 0.00 H new ATOM 0 HA SER A 51 -16.983 -2.618 -5.078 1.00 0.00 H new ATOM 0 HB2 SER A 51 -19.198 -3.940 -4.871 1.00 0.00 H new ATOM 0 HB3 SER A 51 -19.150 -3.510 -3.173 1.00 0.00 H new ATOM 0 HG SER A 51 -20.271 -1.923 -4.450 1.00 0.00 H new ATOM 750 N VAL A 52 -15.301 -2.391 -2.997 1.00 0.00 N ATOM 751 CA VAL A 52 -14.523 -1.568 -2.050 1.00 0.00 C ATOM 752 C VAL A 52 -13.493 -0.785 -2.862 1.00 0.00 C ATOM 753 O VAL A 52 -12.939 -1.304 -3.834 1.00 0.00 O ATOM 754 CB VAL A 52 -13.844 -2.397 -0.928 1.00 0.00 C ATOM 755 CG1 VAL A 52 -12.917 -1.551 -0.037 1.00 0.00 C ATOM 756 CG2 VAL A 52 -14.883 -3.080 -0.021 1.00 0.00 C ATOM 0 H VAL A 52 -14.714 -2.875 -3.677 1.00 0.00 H new ATOM 0 HA VAL A 52 -15.203 -0.895 -1.527 1.00 0.00 H new ATOM 0 HB VAL A 52 -13.247 -3.146 -1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.471 -2.185 0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.129 -1.110 -0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -13.494 -0.758 0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -14.371 -3.652 0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -15.513 -2.322 0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -15.502 -3.750 -0.617 1.00 0.00 H new ATOM 766 N THR A 53 -13.295 0.481 -2.488 1.00 0.00 N ATOM 767 CA THR A 53 -12.489 1.463 -3.217 1.00 0.00 C ATOM 768 C THR A 53 -10.994 1.342 -2.877 1.00 0.00 C ATOM 769 O THR A 53 -10.660 1.141 -1.707 1.00 0.00 O ATOM 770 CB THR A 53 -13.040 2.875 -2.967 1.00 0.00 C ATOM 771 OG1 THR A 53 -12.152 3.841 -3.475 1.00 0.00 O ATOM 772 CG2 THR A 53 -13.289 3.190 -1.493 1.00 0.00 C ATOM 0 H THR A 53 -13.707 0.865 -1.637 1.00 0.00 H new ATOM 0 HA THR A 53 -12.565 1.257 -4.285 1.00 0.00 H new ATOM 0 HB THR A 53 -14.001 2.906 -3.480 1.00 0.00 H new ATOM 0 HG1 THR A 53 -12.514 4.737 -3.311 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.677 4.204 -1.398 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.014 2.484 -1.088 1.00 0.00 H new ATOM 0 HG23 THR A 53 -12.353 3.106 -0.940 1.00 0.00 H new ATOM 780 N PRO A 54 -10.082 1.549 -3.851 1.00 0.00 N ATOM 781 CA PRO A 54 -8.644 1.620 -3.601 1.00 0.00 C ATOM 782 C PRO A 54 -8.245 2.796 -2.701 1.00 0.00 C ATOM 783 O PRO A 54 -7.140 2.780 -2.162 1.00 0.00 O ATOM 784 CB PRO A 54 -8.000 1.734 -4.987 1.00 0.00 C ATOM 785 CG PRO A 54 -9.078 2.401 -5.833 1.00 0.00 C ATOM 786 CD PRO A 54 -10.352 1.783 -5.265 1.00 0.00 C ATOM 0 HA PRO A 54 -8.306 0.738 -3.057 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.088 2.331 -4.957 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.728 0.756 -5.384 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.068 3.486 -5.726 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.957 2.184 -6.894 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.203 2.451 -5.395 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.597 0.852 -5.776 1.00 0.00 H new ATOM 794 N GLU A 55 -9.124 3.790 -2.487 1.00 0.00 N ATOM 795 CA GLU A 55 -8.838 4.933 -1.616 1.00 0.00 C ATOM 796 C GLU A 55 -8.409 4.508 -0.223 1.00 0.00 C ATOM 797 O GLU A 55 -7.633 5.219 0.411 1.00 0.00 O ATOM 798 CB GLU A 55 -10.058 5.867 -1.537 1.00 0.00 C ATOM 799 CG GLU A 55 -11.016 5.773 -0.339 1.00 0.00 C ATOM 800 CD GLU A 55 -10.458 6.401 0.933 1.00 0.00 C ATOM 801 OE1 GLU A 55 -9.980 7.555 0.863 1.00 0.00 O ATOM 802 OE2 GLU A 55 -10.507 5.761 2.009 1.00 0.00 O ATOM 0 H GLU A 55 -10.050 3.820 -2.914 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.000 5.471 -2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.687 6.891 -1.577 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.649 5.707 -2.439 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.955 6.263 -0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.245 4.725 -0.148 1.00 0.00 H new ATOM 809 N SER A 56 -8.925 3.388 0.287 1.00 0.00 N ATOM 810 CA SER A 56 -8.711 3.077 1.677 1.00 0.00 C ATOM 811 C SER A 56 -7.419 2.275 1.894 1.00 0.00 C ATOM 812 O SER A 56 -6.826 2.319 2.972 1.00 0.00 O ATOM 813 CB SER A 56 -9.917 2.348 2.237 1.00 0.00 C ATOM 814 OG SER A 56 -11.112 3.041 1.903 1.00 0.00 O ATOM 0 H SER A 56 -9.477 2.707 -0.234 1.00 0.00 H new ATOM 0 HA SER A 56 -8.589 4.015 2.219 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.954 1.334 1.840 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.828 2.263 3.320 1.00 0.00 H new ATOM 0 HG SER A 56 -10.948 4.007 1.929 1.00 0.00 H new ATOM 820 N LEU A 57 -6.942 1.566 0.860 1.00 0.00 N ATOM 821 CA LEU A 57 -5.615 0.954 0.889 1.00 0.00 C ATOM 822 C LEU A 57 -4.551 2.054 0.872 1.00 0.00 C ATOM 823 O LEU A 57 -3.624 1.981 1.670 1.00 0.00 O ATOM 824 CB LEU A 57 -5.403 -0.006 -0.288 1.00 0.00 C ATOM 825 CG LEU A 57 -6.287 -1.267 -0.399 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.788 -2.054 -1.621 1.00 0.00 C ATOM 827 CD2 LEU A 57 -6.268 -2.198 0.825 1.00 0.00 C ATOM 0 H LEU A 57 -7.459 1.405 -0.004 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.530 0.368 1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.532 0.567 -1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.364 -0.335 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.319 -0.926 -0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.385 -2.958 -1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.882 -1.437 -2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.743 -2.326 -1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.921 -3.051 0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.251 -2.550 0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.618 -1.653 1.702 1.00 0.00 H new ATOM 839 N ARG A 58 -4.719 3.108 0.050 1.00 0.00 N ATOM 840 CA ARG A 58 -3.910 4.329 0.120 1.00 0.00 C ATOM 841 C ARG A 58 -3.813 4.795 1.573 1.00 0.00 C ATOM 842 O ARG A 58 -2.717 4.894 2.117 1.00 0.00 O ATOM 843 CB ARG A 58 -4.553 5.407 -0.768 1.00 0.00 C ATOM 844 CG ARG A 58 -4.089 6.841 -0.492 1.00 0.00 C ATOM 845 CD ARG A 58 -4.960 7.889 -1.181 1.00 0.00 C ATOM 846 NE ARG A 58 -6.279 8.057 -0.526 1.00 0.00 N ATOM 847 CZ ARG A 58 -6.688 9.166 0.082 1.00 0.00 C ATOM 848 NH1 ARG A 58 -5.854 10.105 0.477 1.00 0.00 N ATOM 849 NH2 ARG A 58 -7.967 9.357 0.316 1.00 0.00 N ATOM 0 H ARG A 58 -5.426 3.131 -0.685 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.900 4.136 -0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.343 5.169 -1.811 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.635 5.361 -0.642 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.096 7.019 0.583 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.058 6.955 -0.827 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.436 8.845 -1.185 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.110 7.603 -2.222 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.920 7.264 -0.543 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.852 9.996 0.320 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.210 10.941 0.940 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.648 8.653 0.031 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.278 10.209 0.783 1.00 0.00 H new ATOM 863 N LYS A 59 -4.964 5.002 2.220 1.00 0.00 N ATOM 864 CA LYS A 59 -5.066 5.300 3.649 1.00 0.00 C ATOM 865 C LYS A 59 -4.233 4.368 4.537 1.00 0.00 C ATOM 866 O LYS A 59 -3.504 4.856 5.394 1.00 0.00 O ATOM 867 CB LYS A 59 -6.531 5.202 4.075 1.00 0.00 C ATOM 868 CG LYS A 59 -7.141 6.552 4.391 1.00 0.00 C ATOM 869 CD LYS A 59 -7.375 7.371 3.121 1.00 0.00 C ATOM 870 CE LYS A 59 -8.330 8.519 3.457 1.00 0.00 C ATOM 871 NZ LYS A 59 -9.721 8.012 3.544 1.00 0.00 N ATOM 0 H LYS A 59 -5.870 4.966 1.753 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.669 6.306 3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.105 4.726 3.280 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.608 4.559 4.952 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.087 6.412 4.914 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.483 7.102 5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.431 7.762 2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.798 6.743 2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.042 8.978 4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.264 9.294 2.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.220 8.497 4.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.214 8.194 2.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.707 6.989 3.730 1.00 0.00 H new ATOM 885 N ALA A 60 -4.311 3.047 4.347 1.00 0.00 N ATOM 886 CA ALA A 60 -3.530 2.108 5.154 1.00 0.00 C ATOM 887 C ALA A 60 -2.009 2.288 4.982 1.00 0.00 C ATOM 888 O ALA A 60 -1.260 2.033 5.921 1.00 0.00 O ATOM 889 CB ALA A 60 -3.987 0.691 4.824 1.00 0.00 C ATOM 0 H ALA A 60 -4.905 2.607 3.644 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.714 2.313 6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.415 -0.023 5.417 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.047 0.588 5.055 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.826 0.494 3.764 1.00 0.00 H new ATOM 895 N ILE A 61 -1.551 2.777 3.822 1.00 0.00 N ATOM 896 CA ILE A 61 -0.155 3.180 3.589 1.00 0.00 C ATOM 897 C ILE A 61 0.139 4.538 4.223 1.00 0.00 C ATOM 898 O ILE A 61 1.097 4.646 4.988 1.00 0.00 O ATOM 899 CB ILE A 61 0.215 3.177 2.079 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.230 1.918 1.309 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.730 3.390 1.942 1.00 0.00 C ATOM 902 CD1 ILE A 61 -0.037 1.982 -0.212 1.00 0.00 C ATOM 0 H ILE A 61 -2.148 2.906 3.005 1.00 0.00 H new ATOM 0 HA ILE A 61 0.475 2.434 4.073 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.340 3.994 1.617 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.323 1.061 1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.284 1.737 1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.003 3.390 0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.005 4.346 2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.258 2.586 2.454 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.379 1.050 -0.662 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.613 2.814 -0.617 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.019 2.128 -0.439 1.00 0.00 H new ATOM 914 N GLU A 62 -0.696 5.554 3.982 1.00 0.00 N ATOM 915 CA GLU A 62 -0.573 6.866 4.616 1.00 0.00 C ATOM 916 C GLU A 62 -0.466 6.713 6.138 1.00 0.00 C ATOM 917 O GLU A 62 0.308 7.422 6.764 1.00 0.00 O ATOM 918 CB GLU A 62 -1.775 7.770 4.286 1.00 0.00 C ATOM 919 CG GLU A 62 -1.961 8.136 2.802 1.00 0.00 C ATOM 920 CD GLU A 62 -3.291 8.828 2.461 1.00 0.00 C ATOM 921 OE1 GLU A 62 -4.263 8.739 3.240 1.00 0.00 O ATOM 922 OE2 GLU A 62 -3.385 9.389 1.344 1.00 0.00 O ATOM 0 H GLU A 62 -1.482 5.486 3.336 1.00 0.00 H new ATOM 0 HA GLU A 62 0.331 7.332 4.224 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.682 7.275 4.633 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.677 8.693 4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.142 8.789 2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.880 7.226 2.207 1.00 0.00 H new ATOM 929 N ALA A 63 -1.142 5.723 6.731 1.00 0.00 N ATOM 930 CA ALA A 63 -1.177 5.465 8.170 1.00 0.00 C ATOM 931 C ALA A 63 0.044 4.711 8.730 1.00 0.00 C ATOM 932 O ALA A 63 0.048 4.393 9.918 1.00 0.00 O ATOM 933 CB ALA A 63 -2.493 4.739 8.485 1.00 0.00 C ATOM 0 H ALA A 63 -1.700 5.055 6.199 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.127 6.428 8.679 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.548 4.533 9.554 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.334 5.368 8.193 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.532 3.801 7.932 1.00 0.00 H new ATOM 939 N VAL A 64 1.072 4.459 7.912 1.00 0.00 N ATOM 940 CA VAL A 64 2.342 3.851 8.351 1.00 0.00 C ATOM 941 C VAL A 64 3.437 4.898 8.528 1.00 0.00 C ATOM 942 O VAL A 64 4.346 4.723 9.334 1.00 0.00 O ATOM 943 CB VAL A 64 2.802 2.700 7.429 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.712 3.058 6.274 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.565 1.665 8.259 1.00 0.00 C ATOM 0 H VAL A 64 1.050 4.672 6.915 1.00 0.00 H new ATOM 0 HA VAL A 64 2.148 3.407 9.328 1.00 0.00 H new ATOM 0 HB VAL A 64 1.869 2.345 6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.956 2.157 5.711 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.207 3.769 5.620 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.629 3.506 6.658 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.892 0.850 7.613 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.434 2.136 8.718 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.913 1.271 9.038 1.00 0.00 H new ATOM 955 N SER A 65 3.371 6.010 7.791 1.00 0.00 N ATOM 956 CA SER A 65 4.209 7.182 8.053 1.00 0.00 C ATOM 957 C SER A 65 3.477 8.486 7.667 1.00 0.00 C ATOM 958 O SER A 65 3.875 9.170 6.721 1.00 0.00 O ATOM 959 CB SER A 65 5.628 7.026 7.476 1.00 0.00 C ATOM 960 OG SER A 65 6.044 5.681 7.274 1.00 0.00 O ATOM 0 H SER A 65 2.738 6.123 6.999 1.00 0.00 H new ATOM 0 HA SER A 65 4.376 7.259 9.127 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.678 7.554 6.524 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.334 7.513 8.148 1.00 0.00 H new ATOM 0 HG SER A 65 6.191 5.524 6.318 1.00 0.00 H new ATOM 966 N PRO A 66 2.374 8.819 8.375 1.00 0.00 N ATOM 967 CA PRO A 66 1.492 9.940 8.050 1.00 0.00 C ATOM 968 C PRO A 66 2.193 11.297 8.101 1.00 0.00 C ATOM 969 O PRO A 66 3.106 11.511 8.896 1.00 0.00 O ATOM 970 CB PRO A 66 0.312 9.857 9.029 1.00 0.00 C ATOM 971 CG PRO A 66 0.828 8.973 10.165 1.00 0.00 C ATOM 972 CD PRO A 66 1.766 8.023 9.432 1.00 0.00 C ATOM 0 HA PRO A 66 1.153 9.862 7.017 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.025 10.844 9.391 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.569 9.423 8.555 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.349 9.552 10.927 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.020 8.441 10.666 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.523 7.621 10.106 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.222 7.173 9.020 1.00 0.00 H new ATOM 980 N GLY A 67 1.768 12.209 7.218 1.00 0.00 N ATOM 981 CA GLY A 67 2.382 13.529 7.012 1.00 0.00 C ATOM 982 C GLY A 67 3.623 13.489 6.114 1.00 0.00 C ATOM 983 O GLY A 67 3.895 14.459 5.410 1.00 0.00 O ATOM 0 H GLY A 67 0.966 12.046 6.610 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.645 14.200 6.571 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.656 13.949 7.980 1.00 0.00 H new ATOM 987 N LEU A 68 4.348 12.366 6.120 1.00 0.00 N ATOM 988 CA LEU A 68 5.542 12.110 5.315 1.00 0.00 C ATOM 989 C LEU A 68 5.177 11.370 4.017 1.00 0.00 C ATOM 990 O LEU A 68 5.626 11.740 2.935 1.00 0.00 O ATOM 991 CB LEU A 68 6.515 11.345 6.233 1.00 0.00 C ATOM 992 CG LEU A 68 7.770 10.745 5.579 1.00 0.00 C ATOM 993 CD1 LEU A 68 8.587 11.749 4.765 1.00 0.00 C ATOM 994 CD2 LEU A 68 8.656 10.177 6.691 1.00 0.00 C ATOM 0 H LEU A 68 4.105 11.574 6.715 1.00 0.00 H new ATOM 0 HA LEU A 68 6.024 13.025 4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.837 12.022 7.024 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.963 10.536 6.711 1.00 0.00 H new ATOM 0 HG LEU A 68 7.435 9.980 4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.455 11.249 4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.970 12.156 3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.919 12.559 5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.556 9.744 6.254 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.935 10.976 7.378 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.109 9.406 7.234 1.00 0.00 H new ATOM 1006 N TYR A 69 4.332 10.342 4.103 1.00 0.00 N ATOM 1007 CA TYR A 69 3.973 9.511 2.952 1.00 0.00 C ATOM 1008 C TYR A 69 3.062 10.206 1.930 1.00 0.00 C ATOM 1009 O TYR A 69 1.844 10.312 2.095 1.00 0.00 O ATOM 1010 CB TYR A 69 3.362 8.185 3.425 1.00 0.00 C ATOM 1011 CG TYR A 69 4.356 7.085 3.746 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.718 7.341 4.000 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.911 5.755 3.712 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.596 6.286 4.297 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.798 4.690 3.897 1.00 0.00 C ATOM 1016 CZ TYR A 69 6.139 4.950 4.247 1.00 0.00 C ATOM 1017 OH TYR A 69 6.972 3.943 4.622 1.00 0.00 O ATOM 0 H TYR A 69 3.877 10.062 4.972 1.00 0.00 H new ATOM 0 HA TYR A 69 4.903 9.316 2.418 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.761 8.379 4.314 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.682 7.823 2.654 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.089 8.355 3.966 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.865 5.550 3.540 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.621 6.496 4.564 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.457 3.673 3.772 1.00 0.00 H new ATOM 0 HH TYR A 69 6.509 3.084 4.532 1.00 0.00 H new ATOM 1027 N ARG A 70 3.645 10.560 0.783 1.00 0.00 N ATOM 1028 CA ARG A 70 2.922 11.029 -0.391 1.00 0.00 C ATOM 1029 C ARG A 70 2.345 9.863 -1.193 1.00 0.00 C ATOM 1030 O ARG A 70 2.906 9.432 -2.195 1.00 0.00 O ATOM 1031 CB ARG A 70 3.882 11.802 -1.252 1.00 0.00 C ATOM 1032 CG ARG A 70 4.101 13.241 -0.804 1.00 0.00 C ATOM 1033 CD ARG A 70 4.733 13.935 -1.994 1.00 0.00 C ATOM 1034 NE ARG A 70 4.936 15.374 -1.769 1.00 0.00 N ATOM 1035 CZ ARG A 70 5.592 16.199 -2.580 1.00 0.00 C ATOM 1036 NH1 ARG A 70 6.140 15.819 -3.714 1.00 0.00 N ATOM 1037 NH2 ARG A 70 5.704 17.467 -2.249 1.00 0.00 N ATOM 0 H ARG A 70 4.655 10.526 0.646 1.00 0.00 H new ATOM 0 HA ARG A 70 2.090 11.656 -0.071 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.842 11.286 -1.261 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.512 11.805 -2.277 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.159 13.715 -0.526 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.751 13.287 0.070 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.692 13.467 -2.215 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.100 13.794 -2.870 1.00 0.00 H new ATOM 0 HE ARG A 70 4.540 15.774 -0.918 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.073 14.846 -4.012 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.631 16.498 -4.296 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.291 17.806 -1.380 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.204 18.112 -2.861 1.00 0.00 H new ATOM 1051 N VAL A 71 1.244 9.328 -0.706 1.00 0.00 N ATOM 1052 CA VAL A 71 0.619 8.117 -1.273 1.00 0.00 C ATOM 1053 C VAL A 71 -0.313 8.475 -2.423 1.00 0.00 C ATOM 1054 O VAL A 71 -1.235 9.275 -2.278 1.00 0.00 O ATOM 1055 CB VAL A 71 -0.126 7.236 -0.253 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.456 5.864 -0.868 1.00 0.00 C ATOM 1057 CG2 VAL A 71 0.736 7.015 0.993 1.00 0.00 C ATOM 0 H VAL A 71 0.744 9.711 0.097 1.00 0.00 H new ATOM 0 HA VAL A 71 1.454 7.517 -1.635 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.048 7.749 0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.982 5.253 -0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.087 6.001 -1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.468 5.364 -1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.195 6.390 1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.665 6.521 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.963 7.976 1.454 1.00 0.00 H new ATOM 1067 N SER A 72 -0.069 7.856 -3.571 1.00 0.00 N ATOM 1068 CA SER A 72 -0.704 8.202 -4.836 1.00 0.00 C ATOM 1069 C SER A 72 -1.121 6.913 -5.547 1.00 0.00 C ATOM 1070 O SER A 72 -0.348 5.963 -5.575 1.00 0.00 O ATOM 1071 CB SER A 72 0.295 8.968 -5.728 1.00 0.00 C ATOM 1072 OG SER A 72 1.302 9.658 -4.999 1.00 0.00 O ATOM 0 H SER A 72 0.591 7.082 -3.650 1.00 0.00 H new ATOM 0 HA SER A 72 -1.575 8.829 -4.648 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.771 8.265 -6.411 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.253 9.685 -6.339 1.00 0.00 H new ATOM 0 HG SER A 72 1.900 10.119 -5.624 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.312 6.841 -6.142 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.670 5.719 -7.032 1.00 0.00 C ATOM 1080 C ILE A 73 -1.948 5.948 -8.358 1.00 0.00 C ATOM 1081 O ILE A 73 -2.064 7.034 -8.928 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.204 5.624 -7.212 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.881 5.363 -5.847 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.562 4.512 -8.218 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.415 5.317 -5.873 1.00 0.00 C ATOM 0 H ILE A 73 -3.047 7.539 -6.029 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.360 4.766 -6.603 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.571 6.571 -7.608 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.512 4.416 -5.452 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.569 6.141 -5.151 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.645 4.459 -8.332 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.106 4.733 -9.183 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.189 3.556 -7.851 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.790 5.129 -4.867 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.802 6.271 -6.232 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.744 4.519 -6.538 1.00 0.00 H new ATOM 1097 N THR A 74 -1.205 4.947 -8.841 1.00 0.00 N ATOM 1098 CA THR A 74 -0.578 4.962 -10.163 1.00 0.00 C ATOM 1099 C THR A 74 -1.216 3.872 -11.024 1.00 0.00 C ATOM 1100 O THR A 74 -1.036 2.684 -10.769 1.00 0.00 O ATOM 1101 CB THR A 74 0.947 4.899 -10.011 1.00 0.00 C ATOM 1102 OG1 THR A 74 1.539 4.956 -11.277 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.528 3.676 -9.305 1.00 0.00 C ATOM 0 H THR A 74 -1.021 4.092 -8.316 1.00 0.00 H new ATOM 0 HA THR A 74 -0.759 5.894 -10.699 1.00 0.00 H new ATOM 0 HB THR A 74 1.173 5.751 -9.369 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.514 4.918 -11.184 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.614 3.760 -9.266 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.132 3.619 -8.291 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.253 2.775 -9.853 1.00 0.00 H new ATOM 1111 N SER A 75 -2.007 4.295 -12.009 1.00 0.00 N ATOM 1112 CA SER A 75 -2.813 3.416 -12.866 1.00 0.00 C ATOM 1113 C SER A 75 -2.940 3.983 -14.281 1.00 0.00 C ATOM 1114 O SER A 75 -2.521 5.106 -14.579 1.00 0.00 O ATOM 1115 CB SER A 75 -4.256 3.319 -12.328 1.00 0.00 C ATOM 1116 OG SER A 75 -4.328 2.677 -11.064 1.00 0.00 O ATOM 0 H SER A 75 -2.110 5.283 -12.242 1.00 0.00 H new ATOM 0 HA SER A 75 -2.312 2.448 -12.874 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.677 4.321 -12.246 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.870 2.773 -13.044 1.00 0.00 H new ATOM 0 HG SER A 75 -5.261 2.643 -10.767 1.00 0.00 H new ATOM 1122 N GLU A 76 -3.566 3.198 -15.149 1.00 0.00 N ATOM 1123 CA GLU A 76 -4.093 3.621 -16.408 1.00 0.00 C ATOM 1124 C GLU A 76 -5.331 4.475 -16.098 1.00 0.00 C ATOM 1125 O GLU A 76 -6.157 4.160 -15.247 1.00 0.00 O ATOM 1126 CB GLU A 76 -4.367 2.381 -17.271 1.00 0.00 C ATOM 1127 CG GLU A 76 -5.722 1.699 -17.061 1.00 0.00 C ATOM 1128 CD GLU A 76 -5.908 1.036 -15.677 1.00 0.00 C ATOM 1129 OE1 GLU A 76 -4.900 0.857 -14.946 1.00 0.00 O ATOM 1130 OE2 GLU A 76 -7.056 0.654 -15.370 1.00 0.00 O ATOM 0 H GLU A 76 -3.719 2.205 -14.971 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.404 4.233 -16.990 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.287 2.668 -18.319 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.582 1.650 -17.080 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.510 2.438 -17.203 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.854 0.940 -17.832 1.00 0.00 H new ATOM 1137 N VAL A 77 -5.417 5.605 -16.768 1.00 0.00 N ATOM 1138 CA VAL A 77 -6.543 6.547 -16.719 1.00 0.00 C ATOM 1139 C VAL A 77 -7.089 6.751 -18.151 1.00 0.00 C ATOM 1140 O VAL A 77 -6.776 5.931 -19.018 1.00 0.00 O ATOM 1141 CB VAL A 77 -6.126 7.815 -15.933 1.00 0.00 C ATOM 1142 CG1 VAL A 77 -5.662 7.451 -14.500 1.00 0.00 C ATOM 1143 CG2 VAL A 77 -5.008 8.612 -16.626 1.00 0.00 C ATOM 0 H VAL A 77 -4.675 5.917 -17.394 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.393 6.162 -16.156 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.015 8.444 -15.894 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.375 8.359 -13.969 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.477 6.961 -13.967 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.807 6.777 -14.555 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.761 9.488 -16.027 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.124 7.983 -16.731 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.346 8.931 -17.612 1.00 0.00 H new TER 1153 VAL A 77