USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 687 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 67 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-0.39) USER MOD Set 1.2: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 30 SER OG : rot -67:sc= 2.15 USER MOD Set 2.2: A 32 THR OG1 : rot 31:sc= 2.03 USER MOD Single : A 1 GLY N :NH3+ 149:sc= 0.0144 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.524 K(o=-0.52,f=-2.2!) USER MOD Single : A 12 MET CE :methyl -177:sc= -1.01 (180deg=-1.02) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 135:sc= 2.45 (180deg=-1.59) USER MOD Single : A 21 GLN : amide:sc= -0.0395 X(o=-0.04,f=-0.042) USER MOD Single : A 26 THR OG1 : rot -45:sc= 0.522 USER MOD Single : A 34 GLN : amide:sc= -1.69 K(o=-1.7,f=-4.2) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 43 GLN : amide:sc= -0.003 K(o=-0.003,f=-1.1) USER MOD Single : A 45 CYS SG : rot -148:sc= 0.241 USER MOD Single : A 49 CYS SG : rot 63:sc= 0.0442 USER MOD Single : A 58 ASN : amide:sc= -0.0395 K(o=-0.04,f=-1.2) USER MOD Single : A 59 GLN : amide:sc=-0.00752 K(o=-0.0075,f=-0.85) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.0166 X(o=-0.017,f=-0.47) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.308 X(o=-0.31,f=-0.62) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 56:sc= -0.313 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 170:sc= 0 USER MOD Single : A 84 SER OG : rot 72:sc= 1.29 USER MOD Single : A 88 HIS : no HD1:sc= -0.0183 X(o=-0.018,f=-0.26) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.131 7.885 -27.664 1.00 0.00 N ATOM 2 CA GLY A 1 -10.800 8.445 -26.479 1.00 0.00 C ATOM 3 C GLY A 1 -10.394 9.894 -26.277 1.00 0.00 C ATOM 4 O GLY A 1 -9.215 10.222 -26.414 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.968 6.868 -27.522 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.732 8.026 -28.501 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.219 8.365 -27.807 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.881 8.377 -26.598 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.539 7.861 -25.596 1.00 0.00 H new ATOM 8 N SER A 2 -11.335 10.766 -25.915 1.00 0.00 N ATOM 9 CA SER A 2 -11.165 12.218 -25.874 1.00 0.00 C ATOM 10 C SER A 2 -11.892 12.801 -24.651 1.00 0.00 C ATOM 11 O SER A 2 -12.853 12.201 -24.167 1.00 0.00 O ATOM 12 CB SER A 2 -11.697 12.835 -27.190 1.00 0.00 C ATOM 13 OG SER A 2 -12.417 11.917 -28.011 1.00 0.00 O ATOM 0 H SER A 2 -12.269 10.470 -25.632 1.00 0.00 H new ATOM 0 HA SER A 2 -10.107 12.462 -25.780 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.346 13.677 -26.948 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.857 13.233 -27.759 1.00 0.00 H new ATOM 0 HG SER A 2 -12.724 12.374 -28.822 1.00 0.00 H new ATOM 19 N SER A 3 -11.461 13.976 -24.178 1.00 0.00 N ATOM 20 CA SER A 3 -12.132 14.783 -23.152 1.00 0.00 C ATOM 21 C SER A 3 -12.551 13.988 -21.900 1.00 0.00 C ATOM 22 O SER A 3 -13.629 14.205 -21.343 1.00 0.00 O ATOM 23 CB SER A 3 -13.303 15.527 -23.807 1.00 0.00 C ATOM 24 OG SER A 3 -12.871 16.187 -24.989 1.00 0.00 O ATOM 0 H SER A 3 -10.600 14.408 -24.513 1.00 0.00 H new ATOM 0 HA SER A 3 -11.414 15.505 -22.762 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.101 14.824 -24.046 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.717 16.253 -23.108 1.00 0.00 H new ATOM 0 HG SER A 3 -13.628 16.656 -25.397 1.00 0.00 H new ATOM 30 N GLY A 4 -11.709 13.046 -21.473 1.00 0.00 N ATOM 31 CA GLY A 4 -12.046 12.045 -20.474 1.00 0.00 C ATOM 32 C GLY A 4 -11.692 12.464 -19.053 1.00 0.00 C ATOM 33 O GLY A 4 -11.280 13.599 -18.788 1.00 0.00 O ATOM 0 H GLY A 4 -10.755 12.960 -21.823 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.114 11.835 -20.527 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.526 11.117 -20.711 1.00 0.00 H new ATOM 37 N SER A 5 -11.856 11.517 -18.136 1.00 0.00 N ATOM 38 CA SER A 5 -11.595 11.618 -16.707 1.00 0.00 C ATOM 39 C SER A 5 -10.521 10.596 -16.291 1.00 0.00 C ATOM 40 O SER A 5 -10.125 9.764 -17.116 1.00 0.00 O ATOM 41 CB SER A 5 -12.935 11.436 -15.981 1.00 0.00 C ATOM 42 OG SER A 5 -13.717 10.395 -16.550 1.00 0.00 O ATOM 0 H SER A 5 -12.200 10.592 -18.392 1.00 0.00 H new ATOM 0 HA SER A 5 -11.189 12.592 -16.435 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.750 11.216 -14.930 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.495 12.370 -16.017 1.00 0.00 H new ATOM 0 HG SER A 5 -14.560 10.312 -16.057 1.00 0.00 H new ATOM 48 N SER A 6 -10.060 10.619 -15.034 1.00 0.00 N ATOM 49 CA SER A 6 -8.984 9.753 -14.526 1.00 0.00 C ATOM 50 C SER A 6 -7.696 9.827 -15.373 1.00 0.00 C ATOM 51 O SER A 6 -7.538 10.704 -16.229 1.00 0.00 O ATOM 52 CB SER A 6 -9.504 8.310 -14.389 1.00 0.00 C ATOM 53 OG SER A 6 -10.611 8.261 -13.507 1.00 0.00 O ATOM 0 H SER A 6 -10.431 11.252 -14.326 1.00 0.00 H new ATOM 0 HA SER A 6 -8.697 10.121 -13.541 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.795 7.928 -15.368 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.708 7.664 -14.018 1.00 0.00 H new ATOM 0 HG SER A 6 -10.930 7.337 -13.433 1.00 0.00 H new ATOM 59 N GLY A 7 -6.735 8.943 -15.099 1.00 0.00 N ATOM 60 CA GLY A 7 -5.608 8.633 -15.966 1.00 0.00 C ATOM 61 C GLY A 7 -5.478 7.119 -16.029 1.00 0.00 C ATOM 62 O GLY A 7 -6.160 6.481 -16.833 1.00 0.00 O ATOM 0 H GLY A 7 -6.724 8.405 -14.232 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.767 9.045 -16.962 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.693 9.080 -15.578 1.00 0.00 H new ATOM 66 N GLN A 8 -4.655 6.536 -15.158 1.00 0.00 N ATOM 67 CA GLN A 8 -4.476 5.096 -15.008 1.00 0.00 C ATOM 68 C GLN A 8 -3.990 4.817 -13.572 1.00 0.00 C ATOM 69 O GLN A 8 -3.679 5.760 -12.826 1.00 0.00 O ATOM 70 CB GLN A 8 -3.484 4.612 -16.094 1.00 0.00 C ATOM 71 CG GLN A 8 -3.936 3.342 -16.825 1.00 0.00 C ATOM 72 CD GLN A 8 -3.779 2.103 -15.959 1.00 0.00 C ATOM 73 OE1 GLN A 8 -4.732 1.634 -15.346 1.00 0.00 O ATOM 74 NE2 GLN A 8 -2.578 1.570 -15.839 1.00 0.00 N ATOM 0 H GLN A 8 -4.075 7.075 -14.515 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.406 4.545 -15.150 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.342 5.409 -16.824 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.515 4.428 -15.631 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.979 3.447 -17.123 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.354 3.222 -17.739 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.791 1.966 -16.352 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -2.437 0.762 -15.233 1.00 0.00 H new ATOM 83 N ALA A 9 -3.905 3.547 -13.165 1.00 0.00 N ATOM 84 CA ALA A 9 -3.402 3.127 -11.860 1.00 0.00 C ATOM 85 C ALA A 9 -2.239 2.147 -12.020 1.00 0.00 C ATOM 86 O ALA A 9 -2.166 1.417 -13.011 1.00 0.00 O ATOM 87 CB ALA A 9 -4.525 2.478 -11.048 1.00 0.00 C ATOM 0 H ALA A 9 -4.193 2.764 -13.752 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.042 4.008 -11.330 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.139 2.168 -10.077 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.333 3.196 -10.906 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.904 1.607 -11.582 1.00 0.00 H new ATOM 93 N GLU A 10 -1.379 2.087 -11.005 1.00 0.00 N ATOM 94 CA GLU A 10 -0.185 1.254 -10.952 1.00 0.00 C ATOM 95 C GLU A 10 -0.384 0.261 -9.810 1.00 0.00 C ATOM 96 O GLU A 10 -0.212 0.602 -8.633 1.00 0.00 O ATOM 97 CB GLU A 10 1.064 2.121 -10.733 1.00 0.00 C ATOM 98 CG GLU A 10 1.423 2.969 -11.962 1.00 0.00 C ATOM 99 CD GLU A 10 2.588 3.937 -11.718 1.00 0.00 C ATOM 100 OE1 GLU A 10 3.237 3.903 -10.642 1.00 0.00 O ATOM 101 OE2 GLU A 10 2.928 4.706 -12.645 1.00 0.00 O ATOM 0 H GLU A 10 -1.504 2.644 -10.160 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.035 0.721 -11.891 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.899 2.778 -9.879 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.908 1.478 -10.482 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.679 2.306 -12.789 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.546 3.539 -12.269 1.00 0.00 H new ATOM 108 N LEU A 11 -0.837 -0.943 -10.156 1.00 0.00 N ATOM 109 CA LEU A 11 -1.029 -2.070 -9.249 1.00 0.00 C ATOM 110 C LEU A 11 -0.496 -3.327 -9.928 1.00 0.00 C ATOM 111 O LEU A 11 -0.381 -3.389 -11.159 1.00 0.00 O ATOM 112 CB LEU A 11 -2.515 -2.269 -8.911 1.00 0.00 C ATOM 113 CG LEU A 11 -3.131 -1.083 -8.148 1.00 0.00 C ATOM 114 CD1 LEU A 11 -4.130 -0.360 -9.042 1.00 0.00 C ATOM 115 CD2 LEU A 11 -3.815 -1.529 -6.864 1.00 0.00 C ATOM 0 H LEU A 11 -1.091 -1.168 -11.118 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.496 -1.871 -8.319 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.072 -2.427 -9.834 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.626 -3.174 -8.313 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.321 -0.407 -7.874 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.564 0.479 -8.498 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.621 0.009 -9.932 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.921 -1.050 -9.336 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.236 -0.662 -6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.612 -2.233 -7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.087 -2.013 -6.213 1.00 0.00 H new ATOM 127 N MET A 12 -0.260 -4.368 -9.135 1.00 0.00 N ATOM 128 CA MET A 12 0.155 -5.680 -9.609 1.00 0.00 C ATOM 129 C MET A 12 -0.975 -6.668 -9.386 1.00 0.00 C ATOM 130 O MET A 12 -1.347 -6.975 -8.249 1.00 0.00 O ATOM 131 CB MET A 12 1.443 -6.155 -8.945 1.00 0.00 C ATOM 132 CG MET A 12 2.631 -5.295 -9.383 1.00 0.00 C ATOM 133 SD MET A 12 4.266 -5.999 -9.043 1.00 0.00 S ATOM 134 CE MET A 12 4.136 -6.464 -7.296 1.00 0.00 C ATOM 0 H MET A 12 -0.355 -4.319 -8.121 1.00 0.00 H new ATOM 0 HA MET A 12 0.372 -5.608 -10.675 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.336 -6.110 -7.861 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.628 -7.197 -9.204 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.549 -5.110 -10.454 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.560 -4.327 -8.886 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.092 -6.859 -6.952 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.872 -5.587 -6.705 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.366 -7.226 -7.179 1.00 0.00 H new ATOM 144 N THR A 13 -1.514 -7.174 -10.484 1.00 0.00 N ATOM 145 CA THR A 13 -2.429 -8.302 -10.478 1.00 0.00 C ATOM 146 C THR A 13 -1.579 -9.582 -10.448 1.00 0.00 C ATOM 147 O THR A 13 -0.626 -9.716 -11.217 1.00 0.00 O ATOM 148 CB THR A 13 -3.370 -8.208 -11.689 1.00 0.00 C ATOM 149 OG1 THR A 13 -3.946 -6.915 -11.756 1.00 0.00 O ATOM 150 CG2 THR A 13 -4.498 -9.230 -11.576 1.00 0.00 C ATOM 0 H THR A 13 -1.325 -6.807 -11.417 1.00 0.00 H new ATOM 0 HA THR A 13 -3.076 -8.308 -9.601 1.00 0.00 H new ATOM 0 HB THR A 13 -2.783 -8.408 -12.586 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.543 -6.863 -12.531 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.153 -9.147 -12.443 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.076 -10.234 -11.535 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.072 -9.040 -10.669 1.00 0.00 H new ATOM 158 N LEU A 14 -1.886 -10.503 -9.534 1.00 0.00 N ATOM 159 CA LEU A 14 -1.132 -11.719 -9.215 1.00 0.00 C ATOM 160 C LEU A 14 -2.149 -12.842 -9.007 1.00 0.00 C ATOM 161 O LEU A 14 -3.349 -12.580 -8.936 1.00 0.00 O ATOM 162 CB LEU A 14 -0.252 -11.552 -7.956 1.00 0.00 C ATOM 163 CG LEU A 14 0.755 -10.384 -8.003 1.00 0.00 C ATOM 164 CD1 LEU A 14 1.397 -10.146 -6.635 1.00 0.00 C ATOM 165 CD2 LEU A 14 1.879 -10.645 -9.005 1.00 0.00 C ATOM 0 H LEU A 14 -2.723 -10.415 -8.958 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.450 -11.946 -10.035 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.904 -11.413 -7.094 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.299 -12.478 -7.793 1.00 0.00 H new ATOM 0 HG LEU A 14 0.184 -9.507 -8.309 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.101 -9.317 -6.703 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.623 -9.906 -5.906 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.925 -11.046 -6.320 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.567 -9.800 -9.008 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.417 -11.549 -8.721 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.456 -10.772 -10.001 1.00 0.00 H new ATOM 177 N THR A 15 -1.702 -14.092 -8.932 1.00 0.00 N ATOM 178 CA THR A 15 -2.547 -15.214 -8.561 1.00 0.00 C ATOM 179 C THR A 15 -1.935 -15.906 -7.354 1.00 0.00 C ATOM 180 O THR A 15 -0.717 -15.970 -7.201 1.00 0.00 O ATOM 181 CB THR A 15 -2.724 -16.160 -9.759 1.00 0.00 C ATOM 182 OG1 THR A 15 -3.585 -15.554 -10.699 1.00 0.00 O ATOM 183 CG2 THR A 15 -3.286 -17.531 -9.380 1.00 0.00 C ATOM 0 H THR A 15 -0.736 -14.353 -9.129 1.00 0.00 H new ATOM 0 HA THR A 15 -3.544 -14.871 -8.285 1.00 0.00 H new ATOM 0 HB THR A 15 -1.731 -16.331 -10.175 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.702 -16.151 -11.468 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.384 -18.144 -10.276 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.611 -18.019 -8.677 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.265 -17.408 -8.916 1.00 0.00 H new ATOM 191 N ILE A 16 -2.810 -16.487 -6.544 1.00 0.00 N ATOM 192 CA ILE A 16 -2.500 -17.450 -5.513 1.00 0.00 C ATOM 193 C ILE A 16 -3.441 -18.645 -5.662 1.00 0.00 C ATOM 194 O ILE A 16 -4.529 -18.513 -6.227 1.00 0.00 O ATOM 195 CB ILE A 16 -2.543 -16.780 -4.134 1.00 0.00 C ATOM 196 CG1 ILE A 16 -3.825 -15.991 -3.819 1.00 0.00 C ATOM 197 CG2 ILE A 16 -1.362 -15.814 -3.973 1.00 0.00 C ATOM 198 CD1 ILE A 16 -3.800 -15.519 -2.369 1.00 0.00 C ATOM 0 H ILE A 16 -3.808 -16.283 -6.597 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.484 -17.831 -5.617 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.501 -17.616 -3.436 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.909 -15.135 -4.488 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.700 -16.618 -3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.406 -15.346 -2.989 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.426 -16.364 -4.072 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.414 -15.045 -4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.711 -14.961 -2.152 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.737 -16.382 -1.706 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.934 -14.876 -2.211 1.00 0.00 H new ATOM 210 N VAL A 17 -3.009 -19.816 -5.192 1.00 0.00 N ATOM 211 CA VAL A 17 -3.693 -21.082 -5.421 1.00 0.00 C ATOM 212 C VAL A 17 -3.694 -21.841 -4.098 1.00 0.00 C ATOM 213 O VAL A 17 -2.673 -22.335 -3.621 1.00 0.00 O ATOM 214 CB VAL A 17 -3.035 -21.859 -6.575 1.00 0.00 C ATOM 215 CG1 VAL A 17 -3.723 -23.221 -6.737 1.00 0.00 C ATOM 216 CG2 VAL A 17 -3.113 -21.068 -7.895 1.00 0.00 C ATOM 0 H VAL A 17 -2.161 -19.909 -4.633 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.725 -20.928 -5.737 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.982 -22.007 -6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.256 -23.770 -7.555 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.623 -23.791 -5.813 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.780 -23.071 -6.958 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.640 -21.642 -8.692 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.157 -20.887 -8.149 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.597 -20.115 -7.779 1.00 0.00 H new ATOM 226 N LYS A 18 -4.857 -21.854 -3.457 1.00 0.00 N ATOM 227 CA LYS A 18 -5.079 -22.322 -2.096 1.00 0.00 C ATOM 228 C LYS A 18 -4.895 -23.836 -2.038 1.00 0.00 C ATOM 229 O LYS A 18 -5.643 -24.557 -2.692 1.00 0.00 O ATOM 230 CB LYS A 18 -6.511 -21.893 -1.767 1.00 0.00 C ATOM 231 CG LYS A 18 -6.908 -21.734 -0.302 1.00 0.00 C ATOM 232 CD LYS A 18 -8.352 -21.216 -0.282 1.00 0.00 C ATOM 233 CE LYS A 18 -8.795 -20.848 1.130 1.00 0.00 C ATOM 234 NZ LYS A 18 -10.252 -20.662 1.239 1.00 0.00 N ATOM 0 H LYS A 18 -5.715 -21.521 -3.897 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.376 -21.908 -1.373 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.694 -20.941 -2.265 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.186 -22.622 -2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.833 -22.686 0.223 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.241 -21.036 0.205 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.435 -20.343 -0.930 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.018 -21.978 -0.686 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.480 -21.630 1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.292 -19.931 1.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.601 -21.146 2.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.468 -19.647 1.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.717 -21.062 0.399 1.00 0.00 H new ATOM 248 N GLY A 19 -3.928 -24.314 -1.265 1.00 0.00 N ATOM 249 CA GLY A 19 -3.579 -25.726 -1.169 1.00 0.00 C ATOM 250 C GLY A 19 -4.570 -26.474 -0.291 1.00 0.00 C ATOM 251 O GLY A 19 -5.277 -27.352 -0.772 1.00 0.00 O ATOM 0 H GLY A 19 -3.351 -23.716 -0.673 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.564 -26.169 -2.165 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.574 -25.829 -0.759 1.00 0.00 H new ATOM 255 N ALA A 20 -4.642 -26.117 0.996 1.00 0.00 N ATOM 256 CA ALA A 20 -5.580 -26.686 1.958 1.00 0.00 C ATOM 257 C ALA A 20 -5.747 -25.764 3.167 1.00 0.00 C ATOM 258 O ALA A 20 -6.864 -25.328 3.457 1.00 0.00 O ATOM 259 CB ALA A 20 -5.082 -28.060 2.415 1.00 0.00 C ATOM 0 H ALA A 20 -4.033 -25.407 1.403 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.550 -26.794 1.473 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.785 -28.481 3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.002 -28.723 1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.104 -27.955 2.884 1.00 0.00 H new ATOM 265 N GLN A 21 -4.644 -25.459 3.863 1.00 0.00 N ATOM 266 CA GLN A 21 -4.566 -24.629 5.067 1.00 0.00 C ATOM 267 C GLN A 21 -4.678 -23.146 4.694 1.00 0.00 C ATOM 268 O GLN A 21 -3.798 -22.345 5.001 1.00 0.00 O ATOM 269 CB GLN A 21 -3.250 -24.926 5.820 1.00 0.00 C ATOM 270 CG GLN A 21 -3.254 -26.262 6.574 1.00 0.00 C ATOM 271 CD GLN A 21 -4.190 -26.247 7.782 1.00 0.00 C ATOM 272 OE1 GLN A 21 -4.118 -25.383 8.650 1.00 0.00 O ATOM 273 NE2 GLN A 21 -5.126 -27.174 7.877 1.00 0.00 N ATOM 0 H GLN A 21 -3.728 -25.808 3.581 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.398 -24.868 5.730 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.426 -24.925 5.106 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.058 -24.120 6.529 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.556 -27.059 5.894 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.241 -26.492 6.905 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -5.200 -27.899 7.164 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.775 -27.164 8.664 1.00 0.00 H new ATOM 282 N GLY A 22 -5.767 -22.783 4.012 1.00 0.00 N ATOM 283 CA GLY A 22 -6.073 -21.430 3.583 1.00 0.00 C ATOM 284 C GLY A 22 -4.854 -20.733 3.002 1.00 0.00 C ATOM 285 O GLY A 22 -4.410 -19.719 3.545 1.00 0.00 O ATOM 0 H GLY A 22 -6.483 -23.455 3.736 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.867 -21.456 2.837 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.450 -20.857 4.430 1.00 0.00 H new ATOM 289 N PHE A 23 -4.322 -21.292 1.914 1.00 0.00 N ATOM 290 CA PHE A 23 -3.078 -20.917 1.255 1.00 0.00 C ATOM 291 C PHE A 23 -1.896 -21.300 2.145 1.00 0.00 C ATOM 292 O PHE A 23 -1.175 -22.255 1.867 1.00 0.00 O ATOM 293 CB PHE A 23 -3.044 -19.442 0.803 1.00 0.00 C ATOM 294 CG PHE A 23 -4.229 -18.979 -0.026 1.00 0.00 C ATOM 295 CD1 PHE A 23 -5.397 -18.507 0.607 1.00 0.00 C ATOM 296 CD2 PHE A 23 -4.156 -18.993 -1.432 1.00 0.00 C ATOM 297 CE1 PHE A 23 -6.504 -18.110 -0.155 1.00 0.00 C ATOM 298 CE2 PHE A 23 -5.261 -18.570 -2.192 1.00 0.00 C ATOM 299 CZ PHE A 23 -6.430 -18.119 -1.553 1.00 0.00 C ATOM 0 H PHE A 23 -4.782 -22.070 1.441 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.005 -21.479 0.324 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.976 -18.811 1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.134 -19.279 0.225 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.439 -18.451 1.685 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.255 -19.327 -1.925 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.414 -17.797 0.336 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.212 -18.592 -3.271 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.270 -17.780 -2.141 1.00 0.00 H new ATOM 309 N GLY A 24 -1.706 -20.582 3.245 1.00 0.00 N ATOM 310 CA GLY A 24 -0.639 -20.811 4.198 1.00 0.00 C ATOM 311 C GLY A 24 -0.149 -19.465 4.687 1.00 0.00 C ATOM 312 O GLY A 24 -0.117 -19.233 5.894 1.00 0.00 O ATOM 0 H GLY A 24 -2.311 -19.802 3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.997 -21.412 5.034 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.175 -21.366 3.732 1.00 0.00 H new ATOM 316 N PHE A 25 0.193 -18.568 3.752 1.00 0.00 N ATOM 317 CA PHE A 25 0.685 -17.230 4.062 1.00 0.00 C ATOM 318 C PHE A 25 -0.247 -16.492 5.024 1.00 0.00 C ATOM 319 O PHE A 25 -1.438 -16.792 5.160 1.00 0.00 O ATOM 320 CB PHE A 25 0.936 -16.395 2.793 1.00 0.00 C ATOM 321 CG PHE A 25 -0.296 -15.744 2.200 1.00 0.00 C ATOM 322 CD1 PHE A 25 -1.156 -16.491 1.384 1.00 0.00 C ATOM 323 CD2 PHE A 25 -0.591 -14.395 2.466 1.00 0.00 C ATOM 324 CE1 PHE A 25 -2.320 -15.909 0.852 1.00 0.00 C ATOM 325 CE2 PHE A 25 -1.733 -13.803 1.901 1.00 0.00 C ATOM 326 CZ PHE A 25 -2.608 -14.558 1.105 1.00 0.00 C ATOM 0 H PHE A 25 0.133 -18.758 2.752 1.00 0.00 H new ATOM 0 HA PHE A 25 1.645 -17.362 4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.663 -15.617 3.026 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.388 -17.037 2.037 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.923 -17.522 1.162 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.059 -13.815 3.104 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.993 -16.501 0.249 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.939 -12.758 2.081 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.496 -14.104 0.690 1.00 0.00 H new ATOM 336 N THR A 26 0.319 -15.496 5.686 1.00 0.00 N ATOM 337 CA THR A 26 -0.329 -14.744 6.735 1.00 0.00 C ATOM 338 C THR A 26 -0.482 -13.305 6.265 1.00 0.00 C ATOM 339 O THR A 26 0.343 -12.807 5.493 1.00 0.00 O ATOM 340 CB THR A 26 0.482 -14.896 8.031 1.00 0.00 C ATOM 341 OG1 THR A 26 1.845 -14.578 7.835 1.00 0.00 O ATOM 342 CG2 THR A 26 0.458 -16.325 8.579 1.00 0.00 C ATOM 0 H THR A 26 1.272 -15.183 5.498 1.00 0.00 H new ATOM 0 HA THR A 26 -1.330 -15.117 6.954 1.00 0.00 H new ATOM 0 HB THR A 26 0.008 -14.210 8.733 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.164 -15.001 7.011 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.047 -16.373 9.495 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.571 -16.615 8.793 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.880 -17.005 7.840 1.00 0.00 H new ATOM 350 N ILE A 27 -1.502 -12.612 6.768 1.00 0.00 N ATOM 351 CA ILE A 27 -1.686 -11.185 6.544 1.00 0.00 C ATOM 352 C ILE A 27 -1.606 -10.450 7.880 1.00 0.00 C ATOM 353 O ILE A 27 -1.731 -11.061 8.947 1.00 0.00 O ATOM 354 CB ILE A 27 -2.944 -10.886 5.691 1.00 0.00 C ATOM 355 CG1 ILE A 27 -4.269 -11.298 6.351 1.00 0.00 C ATOM 356 CG2 ILE A 27 -2.798 -11.549 4.316 1.00 0.00 C ATOM 357 CD1 ILE A 27 -5.498 -10.852 5.532 1.00 0.00 C ATOM 0 H ILE A 27 -2.229 -13.032 7.347 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.874 -10.793 5.931 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.999 -9.802 5.590 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.290 -12.381 6.472 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.325 -10.865 7.350 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.683 -11.339 3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.916 -11.153 3.813 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.692 -12.627 4.441 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.409 -11.167 6.041 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.495 -9.766 5.433 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.460 -11.307 4.542 1.00 0.00 H new ATOM 369 N ALA A 28 -1.342 -9.153 7.808 1.00 0.00 N ATOM 370 CA ALA A 28 -1.139 -8.222 8.894 1.00 0.00 C ATOM 371 C ALA A 28 -2.018 -7.019 8.604 1.00 0.00 C ATOM 372 O ALA A 28 -1.958 -6.442 7.513 1.00 0.00 O ATOM 373 CB ALA A 28 0.330 -7.789 8.955 1.00 0.00 C ATOM 0 H ALA A 28 -1.258 -8.690 6.903 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.392 -8.678 9.851 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.469 -7.088 9.778 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.961 -8.664 9.114 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.607 -7.307 8.017 1.00 0.00 H new ATOM 379 N ASP A 29 -2.798 -6.623 9.603 1.00 0.00 N ATOM 380 CA ASP A 29 -3.583 -5.401 9.546 1.00 0.00 C ATOM 381 C ASP A 29 -2.595 -4.238 9.632 1.00 0.00 C ATOM 382 O ASP A 29 -1.722 -4.243 10.504 1.00 0.00 O ATOM 383 CB ASP A 29 -4.594 -5.400 10.705 1.00 0.00 C ATOM 384 CG ASP A 29 -5.045 -3.995 11.074 1.00 0.00 C ATOM 385 OD1 ASP A 29 -6.014 -3.507 10.442 1.00 0.00 O ATOM 386 OD2 ASP A 29 -4.421 -3.382 11.964 1.00 0.00 O ATOM 0 H ASP A 29 -2.902 -7.142 10.475 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.158 -5.315 8.624 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.463 -5.997 10.427 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.145 -5.876 11.577 1.00 0.00 H new ATOM 391 N SER A 30 -2.679 -3.289 8.700 1.00 0.00 N ATOM 392 CA SER A 30 -1.866 -2.078 8.678 1.00 0.00 C ATOM 393 C SER A 30 -2.816 -0.864 8.672 1.00 0.00 C ATOM 394 O SER A 30 -4.021 -1.026 8.430 1.00 0.00 O ATOM 395 CB SER A 30 -0.867 -2.156 7.493 1.00 0.00 C ATOM 396 OG SER A 30 -1.448 -1.724 6.278 1.00 0.00 O ATOM 0 H SER A 30 -3.333 -3.345 7.919 1.00 0.00 H new ATOM 0 HA SER A 30 -1.242 -1.969 9.565 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.006 -1.543 7.715 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.516 -3.182 7.382 1.00 0.00 H new ATOM 0 HG SER A 30 -2.150 -2.353 6.010 1.00 0.00 H new ATOM 402 N PRO A 31 -2.318 0.366 8.888 1.00 0.00 N ATOM 403 CA PRO A 31 -3.114 1.581 8.775 1.00 0.00 C ATOM 404 C PRO A 31 -3.675 1.725 7.366 1.00 0.00 C ATOM 405 O PRO A 31 -4.794 2.192 7.187 1.00 0.00 O ATOM 406 CB PRO A 31 -2.188 2.760 9.092 1.00 0.00 C ATOM 407 CG PRO A 31 -0.799 2.166 9.309 1.00 0.00 C ATOM 408 CD PRO A 31 -0.959 0.659 9.269 1.00 0.00 C ATOM 0 HA PRO A 31 -3.957 1.549 9.465 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.180 3.479 8.273 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.527 3.293 9.981 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.109 2.503 8.535 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.386 2.486 10.266 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.260 0.220 8.557 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.734 0.226 10.244 1.00 0.00 H new ATOM 416 N THR A 32 -2.880 1.299 6.391 1.00 0.00 N ATOM 417 CA THR A 32 -3.110 1.402 4.966 1.00 0.00 C ATOM 418 C THR A 32 -4.015 0.293 4.414 1.00 0.00 C ATOM 419 O THR A 32 -4.143 0.176 3.193 1.00 0.00 O ATOM 420 CB THR A 32 -1.725 1.422 4.297 1.00 0.00 C ATOM 421 OG1 THR A 32 -0.821 0.490 4.878 1.00 0.00 O ATOM 422 CG2 THR A 32 -1.083 2.785 4.502 1.00 0.00 C ATOM 0 H THR A 32 -1.993 0.839 6.598 1.00 0.00 H new ATOM 0 HA THR A 32 -3.660 2.317 4.744 1.00 0.00 H new ATOM 0 HB THR A 32 -1.894 1.177 3.248 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.320 -0.282 5.218 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.101 2.800 4.028 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.713 3.555 4.056 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.974 2.979 5.569 1.00 0.00 H new ATOM 430 N GLY A 33 -4.602 -0.547 5.270 1.00 0.00 N ATOM 431 CA GLY A 33 -5.356 -1.724 4.871 1.00 0.00 C ATOM 432 C GLY A 33 -4.523 -2.981 5.071 1.00 0.00 C ATOM 433 O GLY A 33 -3.617 -3.007 5.909 1.00 0.00 O ATOM 0 H GLY A 33 -4.562 -0.419 6.281 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.273 -1.791 5.456 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.650 -1.638 3.825 1.00 0.00 H new ATOM 437 N GLN A 34 -4.843 -4.050 4.355 1.00 0.00 N ATOM 438 CA GLN A 34 -4.264 -5.355 4.612 1.00 0.00 C ATOM 439 C GLN A 34 -2.930 -5.486 3.898 1.00 0.00 C ATOM 440 O GLN A 34 -2.760 -5.021 2.768 1.00 0.00 O ATOM 441 CB GLN A 34 -5.244 -6.472 4.220 1.00 0.00 C ATOM 442 CG GLN A 34 -6.642 -6.391 4.866 1.00 0.00 C ATOM 443 CD GLN A 34 -6.689 -5.641 6.189 1.00 0.00 C ATOM 444 OE1 GLN A 34 -5.914 -5.965 7.082 1.00 0.00 O ATOM 445 NE2 GLN A 34 -7.573 -4.674 6.363 1.00 0.00 N ATOM 0 H GLN A 34 -5.509 -4.034 3.583 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.076 -5.457 5.681 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.363 -6.462 3.137 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.797 -7.431 4.483 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.323 -5.908 4.166 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.013 -7.404 5.025 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.208 -4.421 5.606 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.620 -4.180 7.254 1.00 0.00 H new ATOM 454 N ARG A 35 -1.978 -6.131 4.566 1.00 0.00 N ATOM 455 CA ARG A 35 -0.649 -6.409 4.048 1.00 0.00 C ATOM 456 C ARG A 35 -0.325 -7.860 4.299 1.00 0.00 C ATOM 457 O ARG A 35 -0.953 -8.504 5.130 1.00 0.00 O ATOM 458 CB ARG A 35 0.377 -5.521 4.750 1.00 0.00 C ATOM 459 CG ARG A 35 0.263 -4.057 4.329 1.00 0.00 C ATOM 460 CD ARG A 35 1.450 -3.320 4.944 1.00 0.00 C ATOM 461 NE ARG A 35 1.315 -1.860 4.855 1.00 0.00 N ATOM 462 CZ ARG A 35 2.304 -0.956 4.890 1.00 0.00 C ATOM 463 NH1 ARG A 35 3.572 -1.303 5.082 1.00 0.00 N ATOM 464 NH2 ARG A 35 2.010 0.325 4.752 1.00 0.00 N ATOM 0 H ARG A 35 -2.118 -6.484 5.513 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.618 -6.202 2.978 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.243 -5.598 5.829 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.381 -5.883 4.527 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.274 -3.966 3.243 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.678 -3.629 4.675 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.550 -3.609 5.990 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.366 -3.628 4.439 1.00 0.00 H new ATOM 0 HE ARG A 35 0.368 -1.495 4.756 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.819 -2.285 5.209 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.299 -0.588 5.103 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.041 0.615 4.621 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.752 1.024 4.777 1.00 0.00 H new ATOM 478 N VAL A 36 0.705 -8.364 3.645 1.00 0.00 N ATOM 479 CA VAL A 36 1.153 -9.734 3.839 1.00 0.00 C ATOM 480 C VAL A 36 2.170 -9.714 4.972 1.00 0.00 C ATOM 481 O VAL A 36 3.143 -8.963 4.917 1.00 0.00 O ATOM 482 CB VAL A 36 1.692 -10.273 2.513 1.00 0.00 C ATOM 483 CG1 VAL A 36 2.385 -11.637 2.674 1.00 0.00 C ATOM 484 CG2 VAL A 36 0.542 -10.386 1.502 1.00 0.00 C ATOM 0 H VAL A 36 1.255 -7.838 2.966 1.00 0.00 H new ATOM 0 HA VAL A 36 0.351 -10.413 4.128 1.00 0.00 H new ATOM 0 HB VAL A 36 2.444 -9.571 2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.750 -11.976 1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.223 -11.540 3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.673 -12.362 3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.925 -10.770 0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.217 -11.066 1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.100 -9.402 1.342 1.00 0.00 H new ATOM 494 N LYS A 37 1.921 -10.518 6.004 1.00 0.00 N ATOM 495 CA LYS A 37 2.797 -10.704 7.150 1.00 0.00 C ATOM 496 C LYS A 37 3.994 -11.545 6.718 1.00 0.00 C ATOM 497 O LYS A 37 5.109 -11.029 6.692 1.00 0.00 O ATOM 498 CB LYS A 37 1.968 -11.312 8.301 1.00 0.00 C ATOM 499 CG LYS A 37 2.736 -11.871 9.511 1.00 0.00 C ATOM 500 CD LYS A 37 3.742 -10.872 10.086 1.00 0.00 C ATOM 501 CE LYS A 37 4.228 -11.273 11.485 1.00 0.00 C ATOM 502 NZ LYS A 37 5.145 -12.428 11.452 1.00 0.00 N ATOM 0 H LYS A 37 1.070 -11.077 6.063 1.00 0.00 H new ATOM 0 HA LYS A 37 3.205 -9.765 7.524 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.282 -10.546 8.663 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.359 -12.116 7.888 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.026 -12.153 10.288 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.261 -12.779 9.215 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.598 -10.795 9.415 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.283 -9.884 10.133 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.733 -10.425 11.948 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.368 -11.513 12.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.445 -12.661 12.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.658 -13.246 11.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.979 -12.192 10.878 1.00 0.00 H new ATOM 516 N GLN A 38 3.785 -12.823 6.406 1.00 0.00 N ATOM 517 CA GLN A 38 4.847 -13.775 6.109 1.00 0.00 C ATOM 518 C GLN A 38 4.270 -14.881 5.229 1.00 0.00 C ATOM 519 O GLN A 38 3.152 -15.346 5.472 1.00 0.00 O ATOM 520 CB GLN A 38 5.415 -14.317 7.435 1.00 0.00 C ATOM 521 CG GLN A 38 6.469 -15.413 7.197 1.00 0.00 C ATOM 522 CD GLN A 38 7.459 -15.587 8.346 1.00 0.00 C ATOM 523 OE1 GLN A 38 7.138 -15.424 9.525 1.00 0.00 O ATOM 524 NE2 GLN A 38 8.705 -15.893 8.034 1.00 0.00 N ATOM 0 H GLN A 38 2.852 -13.231 6.352 1.00 0.00 H new ATOM 0 HA GLN A 38 5.668 -13.305 5.567 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.862 -13.499 8.001 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.603 -14.718 8.042 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.959 -16.361 7.025 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.022 -15.178 6.288 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.968 -16.027 7.058 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.405 -15.995 8.769 1.00 0.00 H new ATOM 533 N ILE A 39 5.018 -15.299 4.210 1.00 0.00 N ATOM 534 CA ILE A 39 4.648 -16.389 3.320 1.00 0.00 C ATOM 535 C ILE A 39 5.094 -17.689 3.982 1.00 0.00 C ATOM 536 O ILE A 39 6.247 -17.808 4.402 1.00 0.00 O ATOM 537 CB ILE A 39 5.255 -16.178 1.913 1.00 0.00 C ATOM 538 CG1 ILE A 39 4.795 -14.808 1.359 1.00 0.00 C ATOM 539 CG2 ILE A 39 4.859 -17.327 0.965 1.00 0.00 C ATOM 540 CD1 ILE A 39 5.235 -14.518 -0.077 1.00 0.00 C ATOM 0 H ILE A 39 5.917 -14.878 3.978 1.00 0.00 H new ATOM 0 HA ILE A 39 3.570 -16.427 3.164 1.00 0.00 H new ATOM 0 HB ILE A 39 6.343 -16.182 1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.707 -14.758 1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.180 -14.021 2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.298 -17.155 -0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.225 -18.272 1.366 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.773 -17.367 0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.867 -13.537 -0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.323 -14.531 -0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.828 -15.279 -0.743 1.00 0.00 H new ATOM 552 N LEU A 40 4.172 -18.652 4.074 1.00 0.00 N ATOM 553 CA LEU A 40 4.437 -19.973 4.639 1.00 0.00 C ATOM 554 C LEU A 40 4.458 -21.050 3.547 1.00 0.00 C ATOM 555 O LEU A 40 4.804 -22.191 3.838 1.00 0.00 O ATOM 556 CB LEU A 40 3.415 -20.335 5.736 1.00 0.00 C ATOM 557 CG LEU A 40 3.119 -19.266 6.812 1.00 0.00 C ATOM 558 CD1 LEU A 40 2.271 -19.894 7.918 1.00 0.00 C ATOM 559 CD2 LEU A 40 4.352 -18.648 7.476 1.00 0.00 C ATOM 0 H LEU A 40 3.211 -18.532 3.754 1.00 0.00 H new ATOM 0 HA LEU A 40 5.424 -19.934 5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.474 -20.592 5.249 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.768 -21.234 6.242 1.00 0.00 H new ATOM 0 HG LEU A 40 2.610 -18.462 6.281 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.057 -19.146 8.682 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.335 -20.259 7.496 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.815 -20.725 8.366 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.037 -17.911 8.215 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.931 -19.430 7.968 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.968 -18.162 6.719 1.00 0.00 H new ATOM 571 N ASP A 41 4.087 -20.729 2.303 1.00 0.00 N ATOM 572 CA ASP A 41 4.163 -21.648 1.169 1.00 0.00 C ATOM 573 C ASP A 41 4.407 -20.828 -0.098 1.00 0.00 C ATOM 574 O ASP A 41 3.569 -20.005 -0.468 1.00 0.00 O ATOM 575 CB ASP A 41 2.876 -22.479 1.050 1.00 0.00 C ATOM 576 CG ASP A 41 2.992 -23.577 -0.009 1.00 0.00 C ATOM 577 OD1 ASP A 41 3.800 -23.461 -0.961 1.00 0.00 O ATOM 578 OD2 ASP A 41 2.289 -24.599 0.109 1.00 0.00 O ATOM 0 H ASP A 41 3.721 -19.810 2.055 1.00 0.00 H new ATOM 0 HA ASP A 41 4.984 -22.350 1.316 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.647 -22.931 2.015 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.043 -21.822 0.800 1.00 0.00 H new ATOM 583 N ILE A 42 5.575 -21.003 -0.719 1.00 0.00 N ATOM 584 CA ILE A 42 5.968 -20.325 -1.947 1.00 0.00 C ATOM 585 C ILE A 42 5.114 -20.822 -3.118 1.00 0.00 C ATOM 586 O ILE A 42 4.494 -20.004 -3.803 1.00 0.00 O ATOM 587 CB ILE A 42 7.487 -20.520 -2.165 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.259 -19.661 -1.138 1.00 0.00 C ATOM 589 CG2 ILE A 42 7.910 -20.162 -3.599 1.00 0.00 C ATOM 590 CD1 ILE A 42 9.749 -20.000 -1.036 1.00 0.00 C ATOM 0 H ILE A 42 6.291 -21.639 -0.368 1.00 0.00 H new ATOM 0 HA ILE A 42 5.787 -19.253 -1.874 1.00 0.00 H new ATOM 0 HB ILE A 42 7.726 -21.573 -2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.154 -18.610 -1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.800 -19.787 -0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.984 -20.313 -3.710 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.379 -20.800 -4.305 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.667 -19.119 -3.800 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.219 -19.354 -0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.865 -21.041 -0.736 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.224 -19.846 -2.005 1.00 0.00 H new ATOM 602 N GLN A 43 5.081 -22.135 -3.385 1.00 0.00 N ATOM 603 CA GLN A 43 4.304 -22.702 -4.483 1.00 0.00 C ATOM 604 C GLN A 43 2.820 -22.328 -4.354 1.00 0.00 C ATOM 605 O GLN A 43 2.142 -22.139 -5.365 1.00 0.00 O ATOM 606 CB GLN A 43 4.450 -24.228 -4.504 1.00 0.00 C ATOM 607 CG GLN A 43 5.755 -24.781 -5.106 1.00 0.00 C ATOM 608 CD GLN A 43 5.702 -26.307 -5.295 1.00 0.00 C ATOM 609 OE1 GLN A 43 4.632 -26.904 -5.404 1.00 0.00 O ATOM 610 NE2 GLN A 43 6.834 -26.994 -5.344 1.00 0.00 N ATOM 0 H GLN A 43 5.594 -22.830 -2.842 1.00 0.00 H new ATOM 0 HA GLN A 43 4.688 -22.290 -5.416 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.363 -24.594 -3.481 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.612 -24.644 -5.063 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.942 -24.303 -6.068 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.591 -24.525 -4.455 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.728 -26.511 -5.255 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.811 -28.006 -5.471 1.00 0.00 H new ATOM 619 N GLY A 44 2.318 -22.199 -3.125 1.00 0.00 N ATOM 620 CA GLY A 44 0.934 -21.844 -2.859 1.00 0.00 C ATOM 621 C GLY A 44 0.592 -20.410 -3.255 1.00 0.00 C ATOM 622 O GLY A 44 -0.580 -20.108 -3.511 1.00 0.00 O ATOM 0 H GLY A 44 2.872 -22.341 -2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.280 -22.529 -3.399 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.729 -21.979 -1.797 1.00 0.00 H new ATOM 626 N CYS A 45 1.570 -19.495 -3.301 1.00 0.00 N ATOM 627 CA CYS A 45 1.322 -18.082 -3.582 1.00 0.00 C ATOM 628 C CYS A 45 2.314 -17.540 -4.642 1.00 0.00 C ATOM 629 O CYS A 45 3.233 -16.796 -4.290 1.00 0.00 O ATOM 630 CB CYS A 45 1.264 -17.288 -2.262 1.00 0.00 C ATOM 631 SG CYS A 45 0.015 -18.042 -1.194 1.00 0.00 S ATOM 0 H CYS A 45 2.553 -19.717 -3.144 1.00 0.00 H new ATOM 0 HA CYS A 45 0.343 -17.953 -4.044 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.237 -17.297 -1.771 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.015 -16.245 -2.458 1.00 0.00 H new ATOM 0 HG CYS A 45 -0.531 -17.126 -0.451 1.00 0.00 H new ATOM 637 N PRO A 46 2.153 -17.910 -5.932 1.00 0.00 N ATOM 638 CA PRO A 46 2.989 -17.485 -7.062 1.00 0.00 C ATOM 639 C PRO A 46 3.210 -15.969 -7.194 1.00 0.00 C ATOM 640 O PRO A 46 2.304 -15.217 -7.555 1.00 0.00 O ATOM 641 CB PRO A 46 2.308 -18.061 -8.315 1.00 0.00 C ATOM 642 CG PRO A 46 1.637 -19.318 -7.789 1.00 0.00 C ATOM 643 CD PRO A 46 1.160 -18.861 -6.422 1.00 0.00 C ATOM 0 HA PRO A 46 4.001 -17.860 -6.909 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.585 -17.364 -8.738 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.030 -18.287 -9.100 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.812 -19.638 -8.425 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.331 -20.156 -7.722 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.177 -18.395 -6.490 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.065 -19.707 -5.742 1.00 0.00 H new ATOM 651 N GLY A 47 4.436 -15.501 -6.945 1.00 0.00 N ATOM 652 CA GLY A 47 4.836 -14.109 -7.159 1.00 0.00 C ATOM 653 C GLY A 47 4.455 -13.182 -6.004 1.00 0.00 C ATOM 654 O GLY A 47 4.925 -12.042 -5.953 1.00 0.00 O ATOM 0 H GLY A 47 5.189 -16.087 -6.584 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.915 -14.068 -7.307 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.374 -13.743 -8.076 1.00 0.00 H new ATOM 658 N LEU A 48 3.634 -13.675 -5.075 1.00 0.00 N ATOM 659 CA LEU A 48 3.193 -13.007 -3.858 1.00 0.00 C ATOM 660 C LEU A 48 4.404 -12.570 -3.042 1.00 0.00 C ATOM 661 O LEU A 48 5.463 -13.204 -3.098 1.00 0.00 O ATOM 662 CB LEU A 48 2.353 -14.019 -3.077 1.00 0.00 C ATOM 663 CG LEU A 48 1.385 -13.504 -2.008 1.00 0.00 C ATOM 664 CD1 LEU A 48 1.946 -12.921 -0.728 1.00 0.00 C ATOM 665 CD2 LEU A 48 0.261 -12.658 -2.590 1.00 0.00 C ATOM 0 H LEU A 48 3.237 -14.610 -5.162 1.00 0.00 H new ATOM 0 HA LEU A 48 2.607 -12.116 -4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.773 -14.593 -3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.039 -14.715 -2.594 1.00 0.00 H new ATOM 0 HG LEU A 48 0.974 -14.445 -1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.127 -12.605 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.542 -13.676 -0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.574 -12.062 -0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.394 -12.321 -1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.684 -11.793 -3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.313 -13.254 -3.300 1.00 0.00 H new ATOM 677 N CYS A 49 4.230 -11.522 -2.253 1.00 0.00 N ATOM 678 CA CYS A 49 5.284 -10.863 -1.488 1.00 0.00 C ATOM 679 C CYS A 49 4.769 -10.359 -0.148 1.00 0.00 C ATOM 680 O CYS A 49 3.621 -9.946 -0.003 1.00 0.00 O ATOM 681 CB CYS A 49 5.833 -9.651 -2.248 1.00 0.00 C ATOM 682 SG CYS A 49 6.897 -10.173 -3.614 1.00 0.00 S ATOM 0 H CYS A 49 3.316 -11.088 -2.121 1.00 0.00 H new ATOM 0 HA CYS A 49 6.064 -11.608 -1.333 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.007 -9.054 -2.633 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.396 -9.014 -1.566 1.00 0.00 H new ATOM 0 HG CYS A 49 6.198 -10.855 -4.472 1.00 0.00 H new ATOM 688 N GLU A 50 5.673 -10.305 0.824 1.00 0.00 N ATOM 689 CA GLU A 50 5.447 -9.641 2.095 1.00 0.00 C ATOM 690 C GLU A 50 5.163 -8.165 1.859 1.00 0.00 C ATOM 691 O GLU A 50 5.768 -7.527 0.998 1.00 0.00 O ATOM 692 CB GLU A 50 6.672 -9.813 2.987 1.00 0.00 C ATOM 693 CG GLU A 50 6.783 -11.270 3.435 1.00 0.00 C ATOM 694 CD GLU A 50 8.208 -11.569 3.858 1.00 0.00 C ATOM 695 OE1 GLU A 50 8.560 -11.312 5.035 1.00 0.00 O ATOM 696 OE2 GLU A 50 8.958 -12.119 3.021 1.00 0.00 O ATOM 0 H GLU A 50 6.597 -10.729 0.746 1.00 0.00 H new ATOM 0 HA GLU A 50 4.586 -10.087 2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.572 -9.519 2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.595 -9.160 3.856 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.101 -11.458 4.264 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.488 -11.934 2.622 1.00 0.00 H new ATOM 703 N GLY A 51 4.254 -7.599 2.647 1.00 0.00 N ATOM 704 CA GLY A 51 3.888 -6.200 2.552 1.00 0.00 C ATOM 705 C GLY A 51 3.198 -5.808 1.248 1.00 0.00 C ATOM 706 O GLY A 51 3.025 -4.604 1.049 1.00 0.00 O ATOM 0 H GLY A 51 3.750 -8.107 3.374 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.229 -5.954 3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.787 -5.595 2.668 1.00 0.00 H new ATOM 710 N ASP A 52 2.793 -6.765 0.398 1.00 0.00 N ATOM 711 CA ASP A 52 1.882 -6.515 -0.721 1.00 0.00 C ATOM 712 C ASP A 52 0.647 -5.838 -0.129 1.00 0.00 C ATOM 713 O ASP A 52 -0.020 -6.437 0.717 1.00 0.00 O ATOM 714 CB ASP A 52 1.418 -7.812 -1.416 1.00 0.00 C ATOM 715 CG ASP A 52 2.324 -8.417 -2.492 1.00 0.00 C ATOM 716 OD1 ASP A 52 3.150 -7.692 -3.085 1.00 0.00 O ATOM 717 OD2 ASP A 52 2.156 -9.626 -2.785 1.00 0.00 O ATOM 0 H ASP A 52 3.092 -7.737 0.471 1.00 0.00 H new ATOM 0 HA ASP A 52 2.400 -5.911 -1.466 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.266 -8.567 -0.645 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.446 -7.618 -1.869 1.00 0.00 H new ATOM 722 N LEU A 53 0.373 -4.587 -0.506 1.00 0.00 N ATOM 723 CA LEU A 53 -0.772 -3.834 -0.001 1.00 0.00 C ATOM 724 C LEU A 53 -2.005 -4.325 -0.753 1.00 0.00 C ATOM 725 O LEU A 53 -2.143 -4.015 -1.930 1.00 0.00 O ATOM 726 CB LEU A 53 -0.537 -2.324 -0.221 1.00 0.00 C ATOM 727 CG LEU A 53 -1.394 -1.375 0.638 1.00 0.00 C ATOM 728 CD1 LEU A 53 -2.874 -1.359 0.264 1.00 0.00 C ATOM 729 CD2 LEU A 53 -1.273 -1.667 2.140 1.00 0.00 C ATOM 0 H LEU A 53 0.943 -4.068 -1.173 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.911 -3.987 1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.514 -2.108 -0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.721 -2.097 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.980 -0.390 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.407 -0.666 0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.984 -1.040 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.290 -2.360 0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.897 -0.969 2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.601 -2.687 2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.234 -1.553 2.450 1.00 0.00 H new ATOM 741 N ILE A 54 -2.857 -5.145 -0.148 1.00 0.00 N ATOM 742 CA ILE A 54 -3.967 -5.789 -0.857 1.00 0.00 C ATOM 743 C ILE A 54 -4.990 -4.716 -1.268 1.00 0.00 C ATOM 744 O ILE A 54 -5.199 -3.751 -0.532 1.00 0.00 O ATOM 745 CB ILE A 54 -4.533 -6.928 0.020 1.00 0.00 C ATOM 746 CG1 ILE A 54 -3.445 -7.987 0.340 1.00 0.00 C ATOM 747 CG2 ILE A 54 -5.714 -7.640 -0.664 1.00 0.00 C ATOM 748 CD1 ILE A 54 -3.730 -8.784 1.615 1.00 0.00 C ATOM 0 H ILE A 54 -2.802 -5.384 0.842 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.643 -6.261 -1.784 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.877 -6.461 0.943 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.362 -8.677 -0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.481 -7.488 0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.084 -8.434 -0.016 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.513 -6.922 -0.851 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.382 -8.068 -1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.930 -9.506 1.779 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.784 -8.104 2.465 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.679 -9.311 1.510 1.00 0.00 H new ATOM 760 N VAL A 55 -5.617 -4.852 -2.439 1.00 0.00 N ATOM 761 CA VAL A 55 -6.588 -3.894 -2.971 1.00 0.00 C ATOM 762 C VAL A 55 -7.846 -4.623 -3.422 1.00 0.00 C ATOM 763 O VAL A 55 -8.935 -4.265 -2.964 1.00 0.00 O ATOM 764 CB VAL A 55 -5.946 -3.043 -4.089 1.00 0.00 C ATOM 765 CG1 VAL A 55 -6.903 -2.001 -4.688 1.00 0.00 C ATOM 766 CG2 VAL A 55 -4.725 -2.293 -3.539 1.00 0.00 C ATOM 0 H VAL A 55 -5.460 -5.648 -3.057 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.889 -3.199 -2.187 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.669 -3.744 -4.877 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.388 -1.439 -5.467 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.768 -2.506 -5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.233 -1.318 -3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.277 -1.695 -4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.036 -1.640 -2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.993 -3.011 -3.169 1.00 0.00 H new ATOM 776 N GLU A 56 -7.717 -5.655 -4.257 1.00 0.00 N ATOM 777 CA GLU A 56 -8.849 -6.449 -4.717 1.00 0.00 C ATOM 778 C GLU A 56 -8.537 -7.926 -4.518 1.00 0.00 C ATOM 779 O GLU A 56 -7.392 -8.360 -4.672 1.00 0.00 O ATOM 780 CB GLU A 56 -9.218 -6.127 -6.177 1.00 0.00 C ATOM 781 CG GLU A 56 -9.938 -4.779 -6.284 1.00 0.00 C ATOM 782 CD GLU A 56 -10.278 -4.381 -7.718 1.00 0.00 C ATOM 783 OE1 GLU A 56 -10.632 -5.247 -8.541 1.00 0.00 O ATOM 784 OE2 GLU A 56 -10.223 -3.161 -8.015 1.00 0.00 O ATOM 0 H GLU A 56 -6.820 -5.962 -4.633 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.727 -6.193 -4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.315 -6.109 -6.787 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.856 -6.916 -6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.857 -4.820 -5.699 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.312 -4.005 -5.840 1.00 0.00 H new ATOM 791 N ILE A 57 -9.575 -8.696 -4.200 1.00 0.00 N ATOM 792 CA ILE A 57 -9.577 -10.151 -4.222 1.00 0.00 C ATOM 793 C ILE A 57 -10.773 -10.502 -5.092 1.00 0.00 C ATOM 794 O ILE A 57 -11.879 -10.033 -4.841 1.00 0.00 O ATOM 795 CB ILE A 57 -9.683 -10.763 -2.812 1.00 0.00 C ATOM 796 CG1 ILE A 57 -8.430 -10.437 -1.976 1.00 0.00 C ATOM 797 CG2 ILE A 57 -9.838 -12.296 -2.906 1.00 0.00 C ATOM 798 CD1 ILE A 57 -8.697 -10.603 -0.486 1.00 0.00 C ATOM 0 H ILE A 57 -10.471 -8.305 -3.909 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.644 -10.557 -4.613 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.559 -10.332 -2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.611 -11.091 -2.275 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.112 -9.414 -2.178 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -9.912 -12.716 -1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.741 -12.537 -3.468 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.971 -12.719 -3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.793 -10.365 0.074 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.499 -9.930 -0.183 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.990 -11.633 -0.281 1.00 0.00 H new ATOM 810 N ASN A 58 -10.535 -11.295 -6.130 1.00 0.00 N ATOM 811 CA ASN A 58 -11.499 -11.765 -7.119 1.00 0.00 C ATOM 812 C ASN A 58 -12.338 -10.599 -7.648 1.00 0.00 C ATOM 813 O ASN A 58 -13.543 -10.726 -7.852 1.00 0.00 O ATOM 814 CB ASN A 58 -12.353 -12.935 -6.603 1.00 0.00 C ATOM 815 CG ASN A 58 -11.561 -14.224 -6.457 1.00 0.00 C ATOM 816 OD1 ASN A 58 -10.763 -14.598 -7.323 1.00 0.00 O ATOM 817 ND2 ASN A 58 -11.660 -14.881 -5.324 1.00 0.00 N ATOM 0 H ASN A 58 -9.598 -11.652 -6.316 1.00 0.00 H new ATOM 0 HA ASN A 58 -10.940 -12.172 -7.962 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.783 -12.667 -5.638 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.185 -13.101 -7.287 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.077 -15.702 -5.158 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.319 -14.571 -4.610 1.00 0.00 H new ATOM 824 N GLN A 59 -11.687 -9.448 -7.845 1.00 0.00 N ATOM 825 CA GLN A 59 -12.232 -8.217 -8.409 1.00 0.00 C ATOM 826 C GLN A 59 -13.185 -7.478 -7.450 1.00 0.00 C ATOM 827 O GLN A 59 -13.676 -6.402 -7.790 1.00 0.00 O ATOM 828 CB GLN A 59 -12.871 -8.493 -9.785 1.00 0.00 C ATOM 829 CG GLN A 59 -11.915 -9.177 -10.783 1.00 0.00 C ATOM 830 CD GLN A 59 -12.620 -9.737 -12.017 1.00 0.00 C ATOM 831 OE1 GLN A 59 -13.811 -10.043 -12.016 1.00 0.00 O ATOM 832 NE2 GLN A 59 -11.900 -9.956 -13.097 1.00 0.00 N ATOM 0 H GLN A 59 -10.702 -9.349 -7.598 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.398 -7.531 -8.556 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.751 -9.122 -9.648 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.216 -7.551 -10.212 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.160 -8.458 -11.101 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.391 -9.987 -10.275 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.911 -9.706 -13.110 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.331 -10.375 -13.921 1.00 0.00 H new ATOM 841 N GLN A 60 -13.453 -8.003 -6.249 1.00 0.00 N ATOM 842 CA GLN A 60 -14.140 -7.287 -5.184 1.00 0.00 C ATOM 843 C GLN A 60 -13.131 -6.350 -4.514 1.00 0.00 C ATOM 844 O GLN A 60 -12.000 -6.760 -4.236 1.00 0.00 O ATOM 845 CB GLN A 60 -14.730 -8.330 -4.220 1.00 0.00 C ATOM 846 CG GLN A 60 -15.217 -7.759 -2.888 1.00 0.00 C ATOM 847 CD GLN A 60 -16.234 -8.693 -2.244 1.00 0.00 C ATOM 848 OE1 GLN A 60 -17.437 -8.472 -2.365 1.00 0.00 O ATOM 849 NE2 GLN A 60 -15.788 -9.758 -1.603 1.00 0.00 N ATOM 0 H GLN A 60 -13.191 -8.955 -5.992 1.00 0.00 H new ATOM 0 HA GLN A 60 -14.962 -6.673 -5.550 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -15.564 -8.831 -4.713 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.975 -9.090 -4.020 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -14.371 -7.616 -2.216 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -15.666 -6.779 -3.049 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.784 -9.918 -1.517 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.447 -10.420 -1.194 1.00 0.00 H new ATOM 858 N ASN A 61 -13.531 -5.102 -4.251 1.00 0.00 N ATOM 859 CA ASN A 61 -12.717 -4.124 -3.536 1.00 0.00 C ATOM 860 C ASN A 61 -12.632 -4.495 -2.067 1.00 0.00 C ATOM 861 O ASN A 61 -13.653 -4.547 -1.372 1.00 0.00 O ATOM 862 CB ASN A 61 -13.271 -2.701 -3.640 1.00 0.00 C ATOM 863 CG ASN A 61 -12.290 -1.753 -2.958 1.00 0.00 C ATOM 864 OD1 ASN A 61 -12.348 -1.501 -1.754 1.00 0.00 O ATOM 865 ND2 ASN A 61 -11.341 -1.241 -3.711 1.00 0.00 N ATOM 0 H ASN A 61 -14.442 -4.741 -4.534 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.733 -4.141 -4.004 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.405 -2.421 -4.685 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.250 -2.639 -3.166 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.639 -0.626 -3.299 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.307 -1.459 -4.707 1.00 0.00 H new ATOM 872 N VAL A 62 -11.409 -4.691 -1.588 1.00 0.00 N ATOM 873 CA VAL A 62 -11.131 -5.081 -0.218 1.00 0.00 C ATOM 874 C VAL A 62 -10.222 -4.068 0.493 1.00 0.00 C ATOM 875 O VAL A 62 -9.820 -4.329 1.625 1.00 0.00 O ATOM 876 CB VAL A 62 -10.612 -6.534 -0.180 1.00 0.00 C ATOM 877 CG1 VAL A 62 -11.625 -7.528 -0.765 1.00 0.00 C ATOM 878 CG2 VAL A 62 -9.287 -6.724 -0.919 1.00 0.00 C ATOM 0 H VAL A 62 -10.569 -4.580 -2.155 1.00 0.00 H new ATOM 0 HA VAL A 62 -12.058 -5.065 0.356 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.457 -6.736 0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.215 -8.537 -0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.551 -7.485 -0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -11.830 -7.270 -1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.980 -7.768 -0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.412 -6.448 -1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.524 -6.092 -0.466 1.00 0.00 H new ATOM 888 N GLN A 63 -9.888 -2.916 -0.112 1.00 0.00 N ATOM 889 CA GLN A 63 -9.163 -1.856 0.593 1.00 0.00 C ATOM 890 C GLN A 63 -9.974 -1.377 1.800 1.00 0.00 C ATOM 891 O GLN A 63 -9.443 -1.214 2.896 1.00 0.00 O ATOM 892 CB GLN A 63 -8.870 -0.659 -0.328 1.00 0.00 C ATOM 893 CG GLN A 63 -7.678 -0.898 -1.251 1.00 0.00 C ATOM 894 CD GLN A 63 -6.926 0.390 -1.606 1.00 0.00 C ATOM 895 OE1 GLN A 63 -7.432 1.279 -2.287 1.00 0.00 O ATOM 896 NE2 GLN A 63 -5.693 0.531 -1.149 1.00 0.00 N ATOM 0 H GLN A 63 -10.109 -2.699 -1.084 1.00 0.00 H new ATOM 0 HA GLN A 63 -8.213 -2.274 0.925 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.753 -0.446 -0.931 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -8.680 0.224 0.282 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.989 -1.594 -0.772 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.026 -1.374 -2.168 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.271 -0.206 -0.584 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.164 1.377 -1.362 1.00 0.00 H new ATOM 905 N ASN A 64 -11.273 -1.164 1.591 1.00 0.00 N ATOM 906 CA ASN A 64 -12.198 -0.549 2.542 1.00 0.00 C ATOM 907 C ASN A 64 -12.819 -1.598 3.478 1.00 0.00 C ATOM 908 O ASN A 64 -13.943 -1.429 3.951 1.00 0.00 O ATOM 909 CB ASN A 64 -13.248 0.199 1.707 1.00 0.00 C ATOM 910 CG ASN A 64 -14.227 1.050 2.508 1.00 0.00 C ATOM 911 OD1 ASN A 64 -13.980 1.480 3.631 1.00 0.00 O ATOM 912 ND2 ASN A 64 -15.364 1.345 1.911 1.00 0.00 N ATOM 0 H ASN A 64 -11.729 -1.427 0.717 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.683 0.148 3.204 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -12.732 0.842 0.994 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -13.815 -0.530 1.127 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -16.049 1.936 2.382 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -15.559 0.982 0.978 1.00 0.00 H new ATOM 919 N LEU A 65 -12.136 -2.729 3.684 1.00 0.00 N ATOM 920 CA LEU A 65 -12.609 -3.874 4.446 1.00 0.00 C ATOM 921 C LEU A 65 -11.642 -4.187 5.573 1.00 0.00 C ATOM 922 O LEU A 65 -10.425 -4.126 5.391 1.00 0.00 O ATOM 923 CB LEU A 65 -12.736 -5.101 3.544 1.00 0.00 C ATOM 924 CG LEU A 65 -13.899 -5.095 2.546 1.00 0.00 C ATOM 925 CD1 LEU A 65 -14.041 -6.525 2.028 1.00 0.00 C ATOM 926 CD2 LEU A 65 -15.231 -4.646 3.145 1.00 0.00 C ATOM 0 H LEU A 65 -11.200 -2.871 3.305 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.587 -3.627 4.859 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.807 -5.212 2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.834 -5.982 4.178 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.670 -4.375 1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -14.860 -6.572 1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.114 -6.829 1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -14.250 -7.195 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -16.002 -4.669 2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -15.509 -5.317 3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -15.133 -3.631 3.530 1.00 0.00 H new ATOM 938 N SER A 66 -12.194 -4.548 6.731 1.00 0.00 N ATOM 939 CA SER A 66 -11.399 -4.874 7.908 1.00 0.00 C ATOM 940 C SER A 66 -10.629 -6.168 7.663 1.00 0.00 C ATOM 941 O SER A 66 -11.043 -7.003 6.858 1.00 0.00 O ATOM 942 CB SER A 66 -12.306 -4.996 9.136 1.00 0.00 C ATOM 943 OG SER A 66 -13.065 -3.813 9.299 1.00 0.00 O ATOM 0 H SER A 66 -13.201 -4.622 6.877 1.00 0.00 H new ATOM 0 HA SER A 66 -10.681 -4.076 8.097 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.972 -5.852 9.023 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.704 -5.176 10.026 1.00 0.00 H new ATOM 0 HG SER A 66 -13.643 -3.901 10.085 1.00 0.00 H new ATOM 949 N HIS A 67 -9.547 -6.377 8.411 1.00 0.00 N ATOM 950 CA HIS A 67 -8.657 -7.518 8.256 1.00 0.00 C ATOM 951 C HIS A 67 -9.445 -8.815 8.164 1.00 0.00 C ATOM 952 O HIS A 67 -9.236 -9.583 7.235 1.00 0.00 O ATOM 953 CB HIS A 67 -7.606 -7.501 9.380 1.00 0.00 C ATOM 954 CG HIS A 67 -6.816 -8.775 9.583 1.00 0.00 C ATOM 955 ND1 HIS A 67 -5.454 -8.899 9.434 1.00 0.00 N ATOM 956 CD2 HIS A 67 -7.292 -9.990 10.006 1.00 0.00 C ATOM 957 CE1 HIS A 67 -5.114 -10.160 9.731 1.00 0.00 C ATOM 958 NE2 HIS A 67 -6.199 -10.857 10.112 1.00 0.00 N ATOM 0 H HIS A 67 -9.262 -5.742 9.157 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.114 -7.448 7.313 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.904 -6.692 9.178 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -8.110 -7.259 10.316 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.323 -10.233 10.218 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.112 -10.560 9.673 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -6.221 -11.829 10.419 1.00 0.00 H new ATOM 966 N THR A 68 -10.347 -9.058 9.109 1.00 0.00 N ATOM 967 CA THR A 68 -11.083 -10.299 9.208 1.00 0.00 C ATOM 968 C THR A 68 -12.048 -10.485 8.031 1.00 0.00 C ATOM 969 O THR A 68 -12.272 -11.620 7.630 1.00 0.00 O ATOM 970 CB THR A 68 -11.752 -10.308 10.585 1.00 0.00 C ATOM 971 OG1 THR A 68 -10.720 -10.240 11.570 1.00 0.00 O ATOM 972 CG2 THR A 68 -12.607 -11.548 10.819 1.00 0.00 C ATOM 0 H THR A 68 -10.586 -8.383 9.836 1.00 0.00 H new ATOM 0 HA THR A 68 -10.424 -11.164 9.133 1.00 0.00 H new ATOM 0 HB THR A 68 -12.425 -9.453 10.648 1.00 0.00 H new ATOM 0 HG1 THR A 68 -11.121 -10.242 12.464 1.00 0.00 H new ATOM 0 HG21 THR A 68 -13.056 -11.499 11.811 1.00 0.00 H new ATOM 0 HG22 THR A 68 -13.394 -11.594 10.067 1.00 0.00 H new ATOM 0 HG23 THR A 68 -11.983 -12.439 10.747 1.00 0.00 H new ATOM 980 N GLU A 69 -12.533 -9.414 7.406 1.00 0.00 N ATOM 981 CA GLU A 69 -13.360 -9.507 6.211 1.00 0.00 C ATOM 982 C GLU A 69 -12.498 -9.983 5.048 1.00 0.00 C ATOM 983 O GLU A 69 -12.871 -10.889 4.313 1.00 0.00 O ATOM 984 CB GLU A 69 -14.006 -8.133 5.937 1.00 0.00 C ATOM 985 CG GLU A 69 -14.918 -7.684 7.084 1.00 0.00 C ATOM 986 CD GLU A 69 -15.921 -8.768 7.496 1.00 0.00 C ATOM 987 OE1 GLU A 69 -16.480 -9.474 6.620 1.00 0.00 O ATOM 988 OE2 GLU A 69 -16.087 -8.955 8.724 1.00 0.00 O ATOM 0 H GLU A 69 -12.362 -8.458 7.716 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.165 -10.230 6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.224 -7.389 5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.583 -8.182 5.014 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.307 -7.413 7.945 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.460 -6.788 6.783 1.00 0.00 H new ATOM 995 N VAL A 70 -11.292 -9.439 4.912 1.00 0.00 N ATOM 996 CA VAL A 70 -10.360 -9.839 3.868 1.00 0.00 C ATOM 997 C VAL A 70 -9.902 -11.294 4.088 1.00 0.00 C ATOM 998 O VAL A 70 -9.782 -12.053 3.124 1.00 0.00 O ATOM 999 CB VAL A 70 -9.220 -8.805 3.827 1.00 0.00 C ATOM 1000 CG1 VAL A 70 -8.203 -9.072 2.712 1.00 0.00 C ATOM 1001 CG2 VAL A 70 -9.823 -7.401 3.613 1.00 0.00 C ATOM 0 H VAL A 70 -10.935 -8.707 5.525 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.829 -9.842 2.884 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.691 -8.878 4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.426 -8.308 2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.752 -10.053 2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.707 -9.045 1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.022 -6.662 3.583 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.372 -7.380 2.671 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.501 -7.167 4.434 1.00 0.00 H new ATOM 1011 N VAL A 71 -9.711 -11.717 5.344 1.00 0.00 N ATOM 1012 CA VAL A 71 -9.500 -13.119 5.702 1.00 0.00 C ATOM 1013 C VAL A 71 -10.686 -13.950 5.219 1.00 0.00 C ATOM 1014 O VAL A 71 -10.486 -15.004 4.619 1.00 0.00 O ATOM 1015 CB VAL A 71 -9.294 -13.270 7.229 1.00 0.00 C ATOM 1016 CG1 VAL A 71 -9.271 -14.731 7.701 1.00 0.00 C ATOM 1017 CG2 VAL A 71 -7.974 -12.634 7.647 1.00 0.00 C ATOM 0 H VAL A 71 -9.699 -11.087 6.146 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.596 -13.483 5.214 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.147 -12.772 7.690 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.123 -14.762 8.780 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.218 -15.209 7.450 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.456 -15.260 7.208 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.840 -12.747 8.723 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.152 -13.125 7.126 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.984 -11.574 7.392 1.00 0.00 H new ATOM 1027 N ASP A 72 -11.905 -13.493 5.494 1.00 0.00 N ATOM 1028 CA ASP A 72 -13.138 -14.248 5.234 1.00 0.00 C ATOM 1029 C ASP A 72 -13.427 -14.402 3.745 1.00 0.00 C ATOM 1030 O ASP A 72 -13.974 -15.404 3.287 1.00 0.00 O ATOM 1031 CB ASP A 72 -14.338 -13.570 5.891 1.00 0.00 C ATOM 1032 CG ASP A 72 -15.549 -14.501 5.931 1.00 0.00 C ATOM 1033 OD1 ASP A 72 -15.367 -15.706 6.221 1.00 0.00 O ATOM 1034 OD2 ASP A 72 -16.692 -14.011 5.788 1.00 0.00 O ATOM 0 H ASP A 72 -12.071 -12.576 5.909 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.981 -15.238 5.661 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.077 -13.266 6.905 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.592 -12.663 5.342 1.00 0.00 H new ATOM 1039 N ILE A 73 -13.006 -13.420 2.965 1.00 0.00 N ATOM 1040 CA ILE A 73 -13.017 -13.480 1.512 1.00 0.00 C ATOM 1041 C ILE A 73 -11.993 -14.525 1.069 1.00 0.00 C ATOM 1042 O ILE A 73 -12.331 -15.421 0.304 1.00 0.00 O ATOM 1043 CB ILE A 73 -12.776 -12.066 0.953 1.00 0.00 C ATOM 1044 CG1 ILE A 73 -13.992 -11.197 1.325 1.00 0.00 C ATOM 1045 CG2 ILE A 73 -12.615 -12.063 -0.576 1.00 0.00 C ATOM 1046 CD1 ILE A 73 -13.694 -9.707 1.306 1.00 0.00 C ATOM 0 H ILE A 73 -12.640 -12.541 3.331 1.00 0.00 H new ATOM 0 HA ILE A 73 -13.980 -13.799 1.112 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.852 -11.679 1.381 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -14.806 -11.407 0.631 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -14.340 -11.478 2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.447 -11.043 -0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.764 -12.685 -0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.520 -12.459 -1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -14.593 -9.153 1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.901 -9.485 2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.374 -9.413 0.306 1.00 0.00 H new ATOM 1058 N LEU A 74 -10.767 -14.497 1.594 1.00 0.00 N ATOM 1059 CA LEU A 74 -9.801 -15.551 1.303 1.00 0.00 C ATOM 1060 C LEU A 74 -10.283 -16.925 1.802 1.00 0.00 C ATOM 1061 O LEU A 74 -9.861 -17.948 1.264 1.00 0.00 O ATOM 1062 CB LEU A 74 -8.409 -15.206 1.856 1.00 0.00 C ATOM 1063 CG LEU A 74 -7.710 -14.010 1.185 1.00 0.00 C ATOM 1064 CD1 LEU A 74 -6.459 -13.628 1.987 1.00 0.00 C ATOM 1065 CD2 LEU A 74 -7.302 -14.300 -0.266 1.00 0.00 C ATOM 0 H LEU A 74 -10.425 -13.764 2.215 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.716 -15.618 0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -8.501 -15.000 2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -7.769 -16.083 1.755 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.427 -13.190 1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.966 -12.781 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.747 -13.356 3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.774 -14.476 2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.814 -13.422 -0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.613 -15.144 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.189 -14.540 -0.852 1.00 0.00 H new ATOM 1077 N LYS A 75 -11.154 -17.004 2.818 1.00 0.00 N ATOM 1078 CA LYS A 75 -11.778 -18.257 3.267 1.00 0.00 C ATOM 1079 C LYS A 75 -12.855 -18.707 2.287 1.00 0.00 C ATOM 1080 O LYS A 75 -12.982 -19.915 2.080 1.00 0.00 O ATOM 1081 CB LYS A 75 -12.449 -18.113 4.634 1.00 0.00 C ATOM 1082 CG LYS A 75 -11.510 -17.947 5.843 1.00 0.00 C ATOM 1083 CD LYS A 75 -12.302 -17.449 7.063 1.00 0.00 C ATOM 1084 CE LYS A 75 -12.466 -18.464 8.189 1.00 0.00 C ATOM 1085 NZ LYS A 75 -11.320 -18.525 9.114 1.00 0.00 N ATOM 0 H LYS A 75 -11.449 -16.190 3.358 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.970 -18.987 3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.116 -17.251 4.598 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.072 -18.991 4.803 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.031 -18.898 6.074 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.716 -17.240 5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.805 -16.565 7.462 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.292 -17.136 6.731 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.364 -18.220 8.756 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.622 -19.451 7.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.506 -19.236 9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.462 -18.788 8.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.182 -17.595 9.558 1.00 0.00 H new ATOM 1099 N ASP A 76 -13.597 -17.782 1.671 1.00 0.00 N ATOM 1100 CA ASP A 76 -14.566 -18.092 0.619 1.00 0.00 C ATOM 1101 C ASP A 76 -13.891 -18.956 -0.435 1.00 0.00 C ATOM 1102 O ASP A 76 -14.375 -20.052 -0.722 1.00 0.00 O ATOM 1103 CB ASP A 76 -15.168 -16.843 -0.034 1.00 0.00 C ATOM 1104 CG ASP A 76 -16.161 -17.261 -1.110 1.00 0.00 C ATOM 1105 OD1 ASP A 76 -17.353 -17.432 -0.770 1.00 0.00 O ATOM 1106 OD2 ASP A 76 -15.763 -17.425 -2.286 1.00 0.00 O ATOM 0 H ASP A 76 -13.540 -16.788 1.892 1.00 0.00 H new ATOM 0 HA ASP A 76 -15.395 -18.625 1.084 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -15.666 -16.231 0.718 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -14.378 -16.231 -0.471 1.00 0.00 H new ATOM 1111 N CYS A 77 -12.714 -18.504 -0.886 1.00 0.00 N ATOM 1112 CA CYS A 77 -11.972 -19.045 -2.021 1.00 0.00 C ATOM 1113 C CYS A 77 -11.978 -20.580 -2.045 1.00 0.00 C ATOM 1114 O CYS A 77 -11.429 -21.200 -1.126 1.00 0.00 O ATOM 1115 CB CYS A 77 -10.545 -18.536 -1.997 1.00 0.00 C ATOM 1116 SG CYS A 77 -10.489 -16.727 -2.074 1.00 0.00 S ATOM 0 H CYS A 77 -12.236 -17.717 -0.447 1.00 0.00 H new ATOM 0 HA CYS A 77 -12.473 -18.703 -2.927 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.050 -18.879 -1.089 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -9.993 -18.955 -2.838 1.00 0.00 H new ATOM 0 HG CYS A 77 -11.192 -16.229 -1.100 1.00 0.00 H new ATOM 1122 N PRO A 78 -12.591 -21.200 -3.062 1.00 0.00 N ATOM 1123 CA PRO A 78 -12.584 -22.631 -3.255 1.00 0.00 C ATOM 1124 C PRO A 78 -11.135 -23.068 -3.354 1.00 0.00 C ATOM 1125 O PRO A 78 -10.327 -22.525 -4.114 1.00 0.00 O ATOM 1126 CB PRO A 78 -13.368 -22.929 -4.533 1.00 0.00 C ATOM 1127 CG PRO A 78 -13.900 -21.576 -5.003 1.00 0.00 C ATOM 1128 CD PRO A 78 -13.158 -20.522 -4.197 1.00 0.00 C ATOM 0 HA PRO A 78 -13.052 -23.174 -2.434 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -12.729 -23.385 -5.289 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.183 -23.627 -4.341 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.729 -21.441 -6.071 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -14.975 -21.504 -4.841 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.379 -20.052 -4.797 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.835 -19.730 -3.877 1.00 0.00 H new ATOM 1136 N ILE A 79 -10.803 -24.046 -2.536 1.00 0.00 N ATOM 1137 CA ILE A 79 -9.472 -24.608 -2.451 1.00 0.00 C ATOM 1138 C ILE A 79 -9.153 -25.233 -3.821 1.00 0.00 C ATOM 1139 O ILE A 79 -10.038 -25.758 -4.512 1.00 0.00 O ATOM 1140 CB ILE A 79 -9.431 -25.544 -1.226 1.00 0.00 C ATOM 1141 CG1 ILE A 79 -9.425 -24.680 0.062 1.00 0.00 C ATOM 1142 CG2 ILE A 79 -8.198 -26.452 -1.221 1.00 0.00 C ATOM 1143 CD1 ILE A 79 -9.623 -25.429 1.382 1.00 0.00 C ATOM 0 H ILE A 79 -11.468 -24.482 -1.897 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.677 -23.884 -2.272 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.311 -26.186 -1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.476 -24.145 0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.210 -23.929 -0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.219 -27.090 -0.337 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.200 -27.073 -2.117 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.296 -25.840 -1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.600 -24.720 2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -10.585 -25.941 1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.825 -26.160 1.509 1.00 0.00 H new ATOM 1155 N GLY A 80 -7.904 -25.077 -4.256 1.00 0.00 N ATOM 1156 CA GLY A 80 -7.414 -25.429 -5.578 1.00 0.00 C ATOM 1157 C GLY A 80 -8.095 -24.669 -6.717 1.00 0.00 C ATOM 1158 O GLY A 80 -7.975 -25.102 -7.865 1.00 0.00 O ATOM 0 H GLY A 80 -7.174 -24.682 -3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.341 -25.240 -5.619 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.555 -26.499 -5.733 1.00 0.00 H new ATOM 1162 N SER A 81 -8.797 -23.567 -6.449 1.00 0.00 N ATOM 1163 CA SER A 81 -9.182 -22.621 -7.485 1.00 0.00 C ATOM 1164 C SER A 81 -8.027 -21.631 -7.637 1.00 0.00 C ATOM 1165 O SER A 81 -7.181 -21.511 -6.744 1.00 0.00 O ATOM 1166 CB SER A 81 -10.505 -21.964 -7.070 1.00 0.00 C ATOM 1167 OG SER A 81 -11.176 -21.326 -8.135 1.00 0.00 O ATOM 0 H SER A 81 -9.111 -23.311 -5.513 1.00 0.00 H new ATOM 0 HA SER A 81 -9.355 -23.088 -8.454 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.160 -22.723 -6.642 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.308 -21.233 -6.286 1.00 0.00 H new ATOM 0 HG SER A 81 -12.010 -20.930 -7.806 1.00 0.00 H new ATOM 1173 N GLU A 82 -7.964 -20.925 -8.764 1.00 0.00 N ATOM 1174 CA GLU A 82 -7.121 -19.767 -8.885 1.00 0.00 C ATOM 1175 C GLU A 82 -7.843 -18.593 -8.235 1.00 0.00 C ATOM 1176 O GLU A 82 -9.035 -18.371 -8.459 1.00 0.00 O ATOM 1177 CB GLU A 82 -6.838 -19.536 -10.369 1.00 0.00 C ATOM 1178 CG GLU A 82 -6.266 -18.160 -10.688 1.00 0.00 C ATOM 1179 CD GLU A 82 -7.243 -17.253 -11.425 1.00 0.00 C ATOM 1180 OE1 GLU A 82 -7.234 -17.299 -12.673 1.00 0.00 O ATOM 1181 OE2 GLU A 82 -7.992 -16.468 -10.789 1.00 0.00 O ATOM 0 H GLU A 82 -8.496 -21.148 -9.605 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.163 -19.894 -8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.140 -20.297 -10.717 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.763 -19.672 -10.929 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.963 -17.677 -9.759 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.367 -18.280 -11.292 1.00 0.00 H new ATOM 1188 N THR A 83 -7.096 -17.832 -7.451 1.00 0.00 N ATOM 1189 CA THR A 83 -7.563 -16.657 -6.760 1.00 0.00 C ATOM 1190 C THR A 83 -6.695 -15.493 -7.267 1.00 0.00 C ATOM 1191 O THR A 83 -5.486 -15.454 -7.032 1.00 0.00 O ATOM 1192 CB THR A 83 -7.512 -16.976 -5.255 1.00 0.00 C ATOM 1193 OG1 THR A 83 -8.352 -18.087 -4.953 1.00 0.00 O ATOM 1194 CG2 THR A 83 -7.988 -15.793 -4.435 1.00 0.00 C ATOM 0 H THR A 83 -6.111 -18.030 -7.277 1.00 0.00 H new ATOM 0 HA THR A 83 -8.594 -16.359 -6.949 1.00 0.00 H new ATOM 0 HB THR A 83 -6.476 -17.206 -5.006 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.189 -18.380 -4.032 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.943 -16.043 -3.375 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.349 -14.933 -4.632 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.015 -15.552 -4.707 1.00 0.00 H new ATOM 1202 N SER A 84 -7.305 -14.598 -8.048 1.00 0.00 N ATOM 1203 CA SER A 84 -6.714 -13.463 -8.734 1.00 0.00 C ATOM 1204 C SER A 84 -6.708 -12.273 -7.782 1.00 0.00 C ATOM 1205 O SER A 84 -7.775 -11.700 -7.530 1.00 0.00 O ATOM 1206 CB SER A 84 -7.608 -13.097 -9.928 1.00 0.00 C ATOM 1207 OG SER A 84 -7.454 -13.939 -11.054 1.00 0.00 O ATOM 0 H SER A 84 -8.307 -14.660 -8.227 1.00 0.00 H new ATOM 0 HA SER A 84 -5.703 -13.707 -9.062 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.650 -13.125 -9.608 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.394 -12.070 -10.225 1.00 0.00 H new ATOM 0 HG SER A 84 -7.851 -14.815 -10.864 1.00 0.00 H new ATOM 1213 N LEU A 85 -5.558 -11.923 -7.215 1.00 0.00 N ATOM 1214 CA LEU A 85 -5.466 -10.797 -6.295 1.00 0.00 C ATOM 1215 C LEU A 85 -4.958 -9.570 -7.040 1.00 0.00 C ATOM 1216 O LEU A 85 -4.233 -9.700 -8.030 1.00 0.00 O ATOM 1217 CB LEU A 85 -4.488 -11.112 -5.148 1.00 0.00 C ATOM 1218 CG LEU A 85 -5.166 -11.585 -3.858 1.00 0.00 C ATOM 1219 CD1 LEU A 85 -5.997 -12.843 -4.072 1.00 0.00 C ATOM 1220 CD2 LEU A 85 -4.115 -11.863 -2.785 1.00 0.00 C ATOM 0 H LEU A 85 -4.674 -12.406 -7.378 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.458 -10.609 -5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.790 -11.880 -5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.901 -10.220 -4.931 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.834 -10.786 -3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.458 -13.139 -3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.775 -12.644 -4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.354 -13.647 -4.430 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.607 -12.199 -1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.433 -12.638 -3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.554 -10.951 -2.581 1.00 0.00 H new ATOM 1232 N ILE A 86 -5.185 -8.379 -6.491 1.00 0.00 N ATOM 1233 CA ILE A 86 -4.589 -7.127 -6.950 1.00 0.00 C ATOM 1234 C ILE A 86 -3.978 -6.458 -5.719 1.00 0.00 C ATOM 1235 O ILE A 86 -4.645 -6.358 -4.681 1.00 0.00 O ATOM 1236 CB ILE A 86 -5.625 -6.241 -7.661 1.00 0.00 C ATOM 1237 CG1 ILE A 86 -6.404 -7.075 -8.705 1.00 0.00 C ATOM 1238 CG2 ILE A 86 -4.924 -5.052 -8.321 1.00 0.00 C ATOM 1239 CD1 ILE A 86 -7.171 -6.272 -9.750 1.00 0.00 C ATOM 0 H ILE A 86 -5.806 -8.255 -5.692 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.815 -7.305 -7.696 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.338 -5.857 -6.931 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.700 -7.729 -9.220 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.109 -7.718 -8.178 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.663 -4.427 -8.823 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.409 -4.465 -7.560 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.200 -5.415 -9.050 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.680 -6.954 -10.431 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.906 -5.638 -9.254 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.476 -5.649 -10.313 1.00 0.00 H new ATOM 1251 N ILE A 87 -2.718 -6.021 -5.812 1.00 0.00 N ATOM 1252 CA ILE A 87 -1.981 -5.384 -4.724 1.00 0.00 C ATOM 1253 C ILE A 87 -1.372 -4.076 -5.238 1.00 0.00 C ATOM 1254 O ILE A 87 -1.072 -3.945 -6.426 1.00 0.00 O ATOM 1255 CB ILE A 87 -0.949 -6.355 -4.082 1.00 0.00 C ATOM 1256 CG1 ILE A 87 0.274 -6.679 -4.974 1.00 0.00 C ATOM 1257 CG2 ILE A 87 -1.638 -7.661 -3.634 1.00 0.00 C ATOM 1258 CD1 ILE A 87 1.409 -5.648 -4.869 1.00 0.00 C ATOM 0 H ILE A 87 -2.172 -6.104 -6.669 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.660 -5.132 -3.909 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.553 -5.821 -3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.661 -7.661 -4.701 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.052 -6.742 -6.012 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.900 -8.327 -3.188 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.411 -7.432 -2.900 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.091 -8.148 -4.497 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.230 -5.943 -5.522 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.039 -4.668 -5.171 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.763 -5.601 -3.839 1.00 0.00 H new ATOM 1270 N HIS A 88 -1.204 -3.101 -4.352 1.00 0.00 N ATOM 1271 CA HIS A 88 -0.699 -1.769 -4.633 1.00 0.00 C ATOM 1272 C HIS A 88 0.826 -1.825 -4.667 1.00 0.00 C ATOM 1273 O HIS A 88 1.457 -2.180 -3.667 1.00 0.00 O ATOM 1274 CB HIS A 88 -1.222 -0.792 -3.566 1.00 0.00 C ATOM 1275 CG HIS A 88 -1.922 0.410 -4.147 1.00 0.00 C ATOM 1276 ND1 HIS A 88 -3.232 0.766 -3.917 1.00 0.00 N ATOM 1277 CD2 HIS A 88 -1.394 1.313 -5.029 1.00 0.00 C ATOM 1278 CE1 HIS A 88 -3.497 1.848 -4.663 1.00 0.00 C ATOM 1279 NE2 HIS A 88 -2.403 2.230 -5.347 1.00 0.00 N ATOM 0 H HIS A 88 -1.430 -3.229 -3.366 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.048 -1.412 -5.602 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.910 -1.320 -2.906 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.387 -0.455 -2.952 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.384 1.318 -5.410 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.455 2.344 -4.709 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -2.324 3.031 -5.974 1.00 0.00 H new ATOM 1287 N ARG A 89 1.406 -1.524 -5.831 1.00 0.00 N ATOM 1288 CA ARG A 89 2.842 -1.464 -6.061 1.00 0.00 C ATOM 1289 C ARG A 89 3.025 -0.636 -7.326 1.00 0.00 C ATOM 1290 O ARG A 89 2.604 -1.079 -8.393 1.00 0.00 O ATOM 1291 CB ARG A 89 3.384 -2.892 -6.240 1.00 0.00 C ATOM 1292 CG ARG A 89 4.881 -2.993 -6.587 1.00 0.00 C ATOM 1293 CD ARG A 89 5.734 -3.414 -5.384 1.00 0.00 C ATOM 1294 NE ARG A 89 6.115 -2.265 -4.554 1.00 0.00 N ATOM 1295 CZ ARG A 89 6.299 -2.240 -3.227 1.00 0.00 C ATOM 1296 NH1 ARG A 89 5.838 -3.200 -2.434 1.00 0.00 N ATOM 1297 NH2 ARG A 89 6.952 -1.225 -2.675 1.00 0.00 N ATOM 0 H ARG A 89 0.864 -1.308 -6.667 1.00 0.00 H new ATOM 0 HA ARG A 89 3.384 -1.015 -5.229 1.00 0.00 H new ATOM 0 HB2 ARG A 89 3.203 -3.449 -5.320 1.00 0.00 H new ATOM 0 HB3 ARG A 89 2.812 -3.383 -7.027 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.016 -3.713 -7.394 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.231 -2.029 -6.957 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.179 -4.131 -4.779 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.632 -3.921 -5.736 1.00 0.00 H new ATOM 0 HE ARG A 89 6.256 -1.382 -5.045 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.326 -3.988 -2.831 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.996 -3.150 -1.428 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.310 -0.470 -3.260 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.096 -1.200 -1.665 1.00 0.00 H new ATOM 1311 N GLY A 90 3.631 0.539 -7.201 1.00 0.00 N ATOM 1312 CA GLY A 90 4.028 1.370 -8.326 1.00 0.00 C ATOM 1313 C GLY A 90 5.218 2.193 -7.872 1.00 0.00 C ATOM 1314 O GLY A 90 6.309 1.640 -7.763 1.00 0.00 O ATOM 0 H GLY A 90 3.864 0.947 -6.296 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.291 0.754 -9.186 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.207 2.017 -8.636 1.00 0.00 H new ATOM 1318 N SER A 91 4.991 3.444 -7.469 1.00 0.00 N ATOM 1319 CA SER A 91 5.986 4.416 -7.023 1.00 0.00 C ATOM 1320 C SER A 91 6.781 4.954 -8.212 1.00 0.00 C ATOM 1321 O SER A 91 6.983 4.264 -9.215 1.00 0.00 O ATOM 1322 CB SER A 91 6.915 3.813 -5.956 1.00 0.00 C ATOM 1323 OG SER A 91 7.177 4.702 -4.889 1.00 0.00 O ATOM 0 H SER A 91 4.046 3.828 -7.444 1.00 0.00 H new ATOM 0 HA SER A 91 5.461 5.252 -6.561 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.464 2.903 -5.561 1.00 0.00 H new ATOM 0 HB3 SER A 91 7.857 3.525 -6.422 1.00 0.00 H new ATOM 0 HG SER A 91 7.770 4.268 -4.240 1.00 0.00 H new ATOM 1329 N GLY A 92 7.276 6.181 -8.072 1.00 0.00 N ATOM 1330 CA GLY A 92 7.818 6.957 -9.170 1.00 0.00 C ATOM 1331 C GLY A 92 8.871 7.946 -8.672 1.00 0.00 C ATOM 1332 O GLY A 92 9.372 7.812 -7.548 1.00 0.00 O ATOM 0 H GLY A 92 7.310 6.667 -7.176 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.261 6.289 -9.908 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.014 7.497 -9.670 1.00 0.00 H new ATOM 1336 N PRO A 93 9.236 8.935 -9.505 1.00 0.00 N ATOM 1337 CA PRO A 93 10.260 9.930 -9.211 1.00 0.00 C ATOM 1338 C PRO A 93 9.797 11.034 -8.248 1.00 0.00 C ATOM 1339 O PRO A 93 10.558 11.984 -8.070 1.00 0.00 O ATOM 1340 CB PRO A 93 10.644 10.506 -10.581 1.00 0.00 C ATOM 1341 CG PRO A 93 9.333 10.432 -11.357 1.00 0.00 C ATOM 1342 CD PRO A 93 8.740 9.117 -10.862 1.00 0.00 C ATOM 0 HA PRO A 93 11.100 9.471 -8.690 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.010 11.530 -10.501 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.431 9.923 -11.059 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.683 11.279 -11.140 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.497 10.425 -12.435 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.651 9.151 -10.877 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.042 8.288 -11.502 1.00 0.00 H new ATOM 1350 N SER A 94 8.596 10.940 -7.663 1.00 0.00 N ATOM 1351 CA SER A 94 7.869 11.880 -6.806 1.00 0.00 C ATOM 1352 C SER A 94 6.450 11.941 -7.352 1.00 0.00 C ATOM 1353 O SER A 94 6.221 12.535 -8.407 1.00 0.00 O ATOM 1354 CB SER A 94 8.500 13.283 -6.693 1.00 0.00 C ATOM 1355 OG SER A 94 7.788 14.208 -5.871 1.00 0.00 O ATOM 0 H SER A 94 8.043 10.094 -7.799 1.00 0.00 H new ATOM 0 HA SER A 94 7.901 11.517 -5.779 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.512 13.178 -6.301 1.00 0.00 H new ATOM 0 HB3 SER A 94 8.588 13.705 -7.694 1.00 0.00 H new ATOM 0 HG SER A 94 8.262 15.066 -5.858 1.00 0.00 H new ATOM 1361 N SER A 95 5.523 11.339 -6.609 1.00 0.00 N ATOM 1362 CA SER A 95 4.109 11.180 -6.905 1.00 0.00 C ATOM 1363 C SER A 95 3.922 10.009 -7.871 1.00 0.00 C ATOM 1364 O SER A 95 4.718 9.790 -8.788 1.00 0.00 O ATOM 1365 CB SER A 95 3.469 12.481 -7.420 1.00 0.00 C ATOM 1366 OG SER A 95 2.348 12.839 -6.635 1.00 0.00 O ATOM 0 H SER A 95 5.766 10.917 -5.713 1.00 0.00 H new ATOM 0 HA SER A 95 3.581 10.950 -5.979 1.00 0.00 H new ATOM 0 HB2 SER A 95 4.204 13.285 -7.399 1.00 0.00 H new ATOM 0 HB3 SER A 95 3.165 12.354 -8.459 1.00 0.00 H new ATOM 0 HG SER A 95 1.959 13.670 -6.980 1.00 0.00 H new ATOM 1372 N GLY A 96 2.843 9.263 -7.659 1.00 0.00 N ATOM 1373 CA GLY A 96 2.526 8.019 -8.330 1.00 0.00 C ATOM 1374 C GLY A 96 1.413 7.346 -7.560 1.00 0.00 C ATOM 1375 O GLY A 96 1.169 7.727 -6.392 1.00 0.00 O ATOM 0 H GLY A 96 2.132 9.529 -6.978 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.218 8.208 -9.358 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.404 7.374 -8.373 1.00 0.00 H new TER 1379 GLY A 96