USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 503 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 55 GLN : amide:sc= -1.6 K(o=-2.9,f=-0.82) USER MOD Set 1.2: A 58 MET CE :methyl 179:sc= -1.27 (180deg=-0.458) USER MOD Single : A 1 HIS : no HD1:sc= -0.361 X(o=-0.36,f=-0.53) USER MOD Single : A 1 HIS N :NH3+ 161:sc= 0.266 (180deg=-0.0194) USER MOD Single : A 8 THR OG1 : rot -39:sc= 0.216 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 38:sc= 1.19 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0836 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 14 SER OG : rot 180:sc= 0.00409 USER MOD Single : A 18 SER OG : rot 0:sc= 0.6! USER MOD Single : A 20 MET CE :methyl -125:sc= -9.87! (180deg=-14.7!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 76:sc= -0.831 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 145:sc= -0.15 (180deg=-1.37!) USER MOD Single : A 39 THR OG1 : rot 120:sc= -0.982 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0154) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.07) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.167 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 11.784 -33.381 6.294 1.00 0.00 N ATOM 2 CA HIS A 1 11.993 -33.165 4.833 1.00 0.00 C ATOM 3 C HIS A 1 10.661 -33.278 4.087 1.00 0.00 C ATOM 4 O HIS A 1 10.623 -33.366 2.875 1.00 0.00 O ATOM 5 CB HIS A 1 12.948 -34.277 4.399 1.00 0.00 C ATOM 6 CG HIS A 1 14.138 -33.672 3.703 1.00 0.00 C ATOM 7 ND1 HIS A 1 14.702 -32.474 4.111 1.00 0.00 N ATOM 8 CD2 HIS A 1 14.881 -34.088 2.625 1.00 0.00 C ATOM 9 CE1 HIS A 1 15.737 -32.212 3.291 1.00 0.00 C ATOM 10 NE2 HIS A 1 15.890 -33.164 2.368 1.00 0.00 N ATOM 0 H1 HIS A 1 12.691 -33.622 6.743 1.00 0.00 H new ATOM 0 H2 HIS A 1 11.406 -32.512 6.723 1.00 0.00 H new ATOM 0 H3 HIS A 1 11.109 -34.160 6.437 1.00 0.00 H new ATOM 0 HA HIS A 1 12.396 -32.176 4.615 1.00 0.00 H new ATOM 0 HB2 HIS A 1 13.273 -34.851 5.267 1.00 0.00 H new ATOM 0 HB3 HIS A 1 12.437 -34.971 3.732 1.00 0.00 H new ATOM 0 HD2 HIS A 1 14.709 -34.994 2.063 1.00 0.00 H new ATOM 0 HE1 HIS A 1 16.367 -31.338 3.370 1.00 0.00 H new ATOM 0 HE2 HIS A 1 16.595 -33.206 1.632 1.00 0.00 H new ATOM 20 N PHE A 2 9.569 -33.272 4.801 1.00 0.00 N ATOM 21 CA PHE A 2 8.238 -33.377 4.135 1.00 0.00 C ATOM 22 C PHE A 2 7.322 -32.246 4.608 1.00 0.00 C ATOM 23 O PHE A 2 6.782 -32.286 5.696 1.00 0.00 O ATOM 24 CB PHE A 2 7.683 -34.735 4.569 1.00 0.00 C ATOM 25 CG PHE A 2 7.787 -34.868 6.069 1.00 0.00 C ATOM 26 CD1 PHE A 2 8.994 -35.271 6.653 1.00 0.00 C ATOM 27 CD2 PHE A 2 6.679 -34.588 6.877 1.00 0.00 C ATOM 28 CE1 PHE A 2 9.093 -35.395 8.044 1.00 0.00 C ATOM 29 CE2 PHE A 2 6.777 -34.712 8.269 1.00 0.00 C ATOM 30 CZ PHE A 2 7.984 -35.115 8.852 1.00 0.00 C ATOM 0 H PHE A 2 9.540 -33.199 5.818 1.00 0.00 H new ATOM 0 HA PHE A 2 8.310 -33.295 3.050 1.00 0.00 H new ATOM 0 HB2 PHE A 2 6.643 -34.831 4.256 1.00 0.00 H new ATOM 0 HB3 PHE A 2 8.237 -35.538 4.083 1.00 0.00 H new ATOM 0 HD1 PHE A 2 9.849 -35.486 6.030 1.00 0.00 H new ATOM 0 HD2 PHE A 2 5.748 -34.276 6.427 1.00 0.00 H new ATOM 0 HE1 PHE A 2 10.024 -35.706 8.494 1.00 0.00 H new ATOM 0 HE2 PHE A 2 5.922 -34.497 8.892 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.060 -35.210 9.925 1.00 0.00 H new ATOM 40 N ALA A 3 7.144 -31.236 3.801 1.00 0.00 N ATOM 41 CA ALA A 3 6.263 -30.102 4.208 1.00 0.00 C ATOM 42 C ALA A 3 4.801 -30.423 3.880 1.00 0.00 C ATOM 43 O ALA A 3 3.908 -29.653 4.173 1.00 0.00 O ATOM 44 CB ALA A 3 6.749 -28.908 3.385 1.00 0.00 C ATOM 0 H ALA A 3 7.569 -31.146 2.878 1.00 0.00 H new ATOM 0 HA ALA A 3 6.311 -29.905 5.279 1.00 0.00 H new ATOM 0 HB1 ALA A 3 6.149 -28.031 3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.795 -28.708 3.617 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.650 -29.133 2.323 1.00 0.00 H new ATOM 50 N ALA A 4 4.551 -31.552 3.276 1.00 0.00 N ATOM 51 CA ALA A 4 3.147 -31.919 2.934 1.00 0.00 C ATOM 52 C ALA A 4 2.298 -32.003 4.205 1.00 0.00 C ATOM 53 O ALA A 4 2.758 -32.441 5.241 1.00 0.00 O ATOM 54 CB ALA A 4 3.247 -33.290 2.263 1.00 0.00 C ATOM 0 H ALA A 4 5.257 -32.236 3.005 1.00 0.00 H new ATOM 0 HA ALA A 4 2.674 -31.182 2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.251 -33.630 1.981 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.871 -33.215 1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.691 -34.003 2.957 1.00 0.00 H new ATOM 60 N ASP A 5 1.064 -31.583 4.136 1.00 0.00 N ATOM 61 CA ASP A 5 0.191 -31.638 5.344 1.00 0.00 C ATOM 62 C ASP A 5 -1.235 -31.210 4.987 1.00 0.00 C ATOM 63 O ASP A 5 -1.542 -30.937 3.844 1.00 0.00 O ATOM 64 CB ASP A 5 0.817 -30.652 6.331 1.00 0.00 C ATOM 65 CG ASP A 5 1.185 -31.386 7.622 1.00 0.00 C ATOM 66 OD1 ASP A 5 1.331 -32.596 7.571 1.00 0.00 O ATOM 67 OD2 ASP A 5 1.315 -30.726 8.640 1.00 0.00 O ATOM 0 H ASP A 5 0.623 -31.205 3.298 1.00 0.00 H new ATOM 0 HA ASP A 5 0.125 -32.643 5.760 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.705 -30.197 5.893 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.118 -29.844 6.546 1.00 0.00 H new ATOM 72 N CYS A 6 -2.106 -31.148 5.957 1.00 0.00 N ATOM 73 CA CYS A 6 -3.515 -30.739 5.674 1.00 0.00 C ATOM 74 C CYS A 6 -4.049 -29.893 6.834 1.00 0.00 C ATOM 75 O CYS A 6 -3.679 -30.087 7.975 1.00 0.00 O ATOM 76 CB CYS A 6 -4.315 -32.044 5.558 1.00 0.00 C ATOM 77 SG CYS A 6 -3.339 -33.317 4.708 1.00 0.00 S ATOM 0 H CYS A 6 -1.905 -31.362 6.934 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.591 -30.143 4.765 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.595 -32.395 6.551 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.241 -31.862 5.012 1.00 0.00 H new ATOM 82 N CYS A 7 -4.909 -28.951 6.555 1.00 0.00 N ATOM 83 CA CYS A 7 -5.451 -28.096 7.648 1.00 0.00 C ATOM 84 C CYS A 7 -6.752 -28.684 8.202 1.00 0.00 C ATOM 85 O CYS A 7 -7.600 -29.150 7.468 1.00 0.00 O ATOM 86 CB CYS A 7 -5.726 -26.743 6.997 1.00 0.00 C ATOM 87 SG CYS A 7 -4.437 -25.564 7.469 1.00 0.00 S ATOM 0 H CYS A 7 -5.258 -28.738 5.621 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.755 -28.021 8.483 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.755 -26.850 5.913 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.703 -26.372 7.307 1.00 0.00 H new ATOM 92 N THR A 8 -6.917 -28.647 9.493 1.00 0.00 N ATOM 93 CA THR A 8 -8.166 -29.180 10.106 1.00 0.00 C ATOM 94 C THR A 8 -9.080 -28.015 10.495 1.00 0.00 C ATOM 95 O THR A 8 -10.096 -28.192 11.138 1.00 0.00 O ATOM 96 CB THR A 8 -7.705 -29.945 11.348 1.00 0.00 C ATOM 97 OG1 THR A 8 -8.797 -30.685 11.878 1.00 0.00 O ATOM 98 CG2 THR A 8 -7.195 -28.958 12.399 1.00 0.00 C ATOM 0 H THR A 8 -6.238 -28.269 10.154 1.00 0.00 H new ATOM 0 HA THR A 8 -8.729 -29.821 9.427 1.00 0.00 H new ATOM 0 HB THR A 8 -6.900 -30.628 11.077 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.616 -30.150 11.816 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.867 -29.505 13.283 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.357 -28.392 11.991 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.997 -28.272 12.673 1.00 0.00 H new ATOM 106 N SER A 9 -8.716 -26.821 10.108 1.00 0.00 N ATOM 107 CA SER A 9 -9.542 -25.629 10.447 1.00 0.00 C ATOM 108 C SER A 9 -8.871 -24.370 9.893 1.00 0.00 C ATOM 109 O SER A 9 -8.049 -24.435 9.000 1.00 0.00 O ATOM 110 CB SER A 9 -9.575 -25.590 11.976 1.00 0.00 C ATOM 111 OG SER A 9 -10.918 -25.472 12.422 1.00 0.00 O ATOM 0 H SER A 9 -7.875 -26.621 9.567 1.00 0.00 H new ATOM 0 HA SER A 9 -10.545 -25.678 10.024 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.125 -26.496 12.382 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.985 -24.749 12.341 1.00 0.00 H new ATOM 0 HG SER A 9 -10.937 -25.449 13.402 1.00 0.00 H new ATOM 117 N TYR A 10 -9.203 -23.226 10.420 1.00 0.00 N ATOM 118 CA TYR A 10 -8.570 -21.969 9.928 1.00 0.00 C ATOM 119 C TYR A 10 -8.497 -20.945 11.065 1.00 0.00 C ATOM 120 O TYR A 10 -9.250 -21.007 12.017 1.00 0.00 O ATOM 121 CB TYR A 10 -9.476 -21.484 8.793 1.00 0.00 C ATOM 122 CG TYR A 10 -9.416 -22.478 7.657 1.00 0.00 C ATOM 123 CD1 TYR A 10 -8.190 -22.753 7.036 1.00 0.00 C ATOM 124 CD2 TYR A 10 -10.579 -23.127 7.226 1.00 0.00 C ATOM 125 CE1 TYR A 10 -8.129 -23.676 5.985 1.00 0.00 C ATOM 126 CE2 TYR A 10 -10.518 -24.050 6.175 1.00 0.00 C ATOM 127 CZ TYR A 10 -9.293 -24.325 5.555 1.00 0.00 C ATOM 128 OH TYR A 10 -9.231 -25.234 4.518 1.00 0.00 O ATOM 0 H TYR A 10 -9.884 -23.105 11.169 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.548 -22.119 9.579 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.501 -21.380 9.148 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.156 -20.500 8.450 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.292 -22.253 7.368 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.524 -22.916 7.704 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.184 -23.887 5.506 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -11.416 -24.550 5.842 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.400 -25.750 4.584 1.00 0.00 H new ATOM 138 N ILE A 11 -7.587 -20.015 10.983 1.00 0.00 N ATOM 139 CA ILE A 11 -7.459 -19.001 12.070 1.00 0.00 C ATOM 140 C ILE A 11 -8.760 -18.206 12.215 1.00 0.00 C ATOM 141 O ILE A 11 -9.614 -18.232 11.352 1.00 0.00 O ATOM 142 CB ILE A 11 -6.310 -18.075 11.644 1.00 0.00 C ATOM 143 CG1 ILE A 11 -6.788 -17.112 10.550 1.00 0.00 C ATOM 144 CG2 ILE A 11 -5.130 -18.893 11.121 1.00 0.00 C ATOM 145 CD1 ILE A 11 -7.027 -17.884 9.250 1.00 0.00 C ATOM 0 H ILE A 11 -6.927 -19.912 10.212 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.261 -19.469 13.034 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.988 -17.504 12.515 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.707 -16.617 10.864 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.044 -16.331 10.389 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.325 -18.221 10.824 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.774 -19.561 11.905 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.448 -19.481 10.260 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.366 -17.196 8.476 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.098 -18.358 8.932 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.787 -18.648 9.415 1.00 0.00 H new ATOM 157 N SER A 12 -8.912 -17.493 13.299 1.00 0.00 N ATOM 158 CA SER A 12 -10.150 -16.689 13.496 1.00 0.00 C ATOM 159 C SER A 12 -9.870 -15.214 13.191 1.00 0.00 C ATOM 160 O SER A 12 -10.735 -14.369 13.307 1.00 0.00 O ATOM 161 CB SER A 12 -10.518 -16.875 14.970 1.00 0.00 C ATOM 162 OG SER A 12 -9.403 -17.390 15.680 1.00 0.00 O ATOM 0 H SER A 12 -8.231 -17.433 14.056 1.00 0.00 H new ATOM 0 HA SER A 12 -10.958 -17.004 12.836 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.827 -15.923 15.401 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.365 -17.555 15.060 1.00 0.00 H new ATOM 0 HG SER A 12 -9.641 -17.506 16.623 1.00 0.00 H new ATOM 168 N GLN A 13 -8.663 -14.900 12.802 1.00 0.00 N ATOM 169 CA GLN A 13 -8.324 -13.482 12.488 1.00 0.00 C ATOM 170 C GLN A 13 -7.277 -13.427 11.373 1.00 0.00 C ATOM 171 O GLN A 13 -6.922 -14.433 10.793 1.00 0.00 O ATOM 172 CB GLN A 13 -7.749 -12.915 13.786 1.00 0.00 C ATOM 173 CG GLN A 13 -6.704 -13.883 14.347 1.00 0.00 C ATOM 174 CD GLN A 13 -6.217 -13.377 15.706 1.00 0.00 C ATOM 175 OE1 GLN A 13 -7.001 -13.184 16.613 1.00 0.00 O ATOM 176 NE2 GLN A 13 -4.943 -13.152 15.886 1.00 0.00 N ATOM 0 H GLN A 13 -7.897 -15.564 12.688 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.190 -12.916 12.144 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.296 -11.941 13.601 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.546 -12.762 14.513 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.134 -14.879 14.451 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.865 -13.969 13.657 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.284 -13.314 15.125 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.607 -12.814 16.788 1.00 0.00 H new ATOM 185 N SER A 14 -6.779 -12.260 11.071 1.00 0.00 N ATOM 186 CA SER A 14 -5.754 -12.146 9.994 1.00 0.00 C ATOM 187 C SER A 14 -4.528 -12.998 10.340 1.00 0.00 C ATOM 188 O SER A 14 -4.184 -13.169 11.493 1.00 0.00 O ATOM 189 CB SER A 14 -5.386 -10.662 9.952 1.00 0.00 C ATOM 190 OG SER A 14 -6.566 -9.885 9.810 1.00 0.00 O ATOM 0 H SER A 14 -7.036 -11.382 11.522 1.00 0.00 H new ATOM 0 HA SER A 14 -6.123 -12.499 9.031 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.860 -10.381 10.865 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.708 -10.468 9.121 1.00 0.00 H new ATOM 0 HG SER A 14 -6.330 -8.934 9.785 1.00 0.00 H new ATOM 196 N ILE A 15 -3.867 -13.532 9.350 1.00 0.00 N ATOM 197 CA ILE A 15 -2.666 -14.373 9.619 1.00 0.00 C ATOM 198 C ILE A 15 -1.518 -13.493 10.131 1.00 0.00 C ATOM 199 O ILE A 15 -1.245 -12.445 9.579 1.00 0.00 O ATOM 200 CB ILE A 15 -2.314 -14.988 8.266 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.382 -16.014 7.881 1.00 0.00 C ATOM 202 CG2 ILE A 15 -0.955 -15.680 8.358 1.00 0.00 C ATOM 203 CD1 ILE A 15 -3.321 -17.201 8.845 1.00 0.00 C ATOM 0 H ILE A 15 -4.107 -13.422 8.365 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.845 -15.134 10.378 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.272 -14.204 7.510 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.370 -15.556 7.914 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.222 -16.354 6.858 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.704 -16.119 7.392 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.193 -14.951 8.634 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.997 -16.465 9.113 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.082 -17.932 8.571 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.336 -17.664 8.790 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.502 -16.853 9.862 1.00 0.00 H new ATOM 215 N PRO A 16 -0.898 -13.946 11.186 1.00 0.00 N ATOM 216 CA PRO A 16 0.217 -13.189 11.802 1.00 0.00 C ATOM 217 C PRO A 16 1.531 -13.396 11.035 1.00 0.00 C ATOM 218 O PRO A 16 2.441 -14.043 11.513 1.00 0.00 O ATOM 219 CB PRO A 16 0.319 -13.785 13.200 1.00 0.00 C ATOM 220 CG PRO A 16 -0.250 -15.168 13.089 1.00 0.00 C ATOM 221 CD PRO A 16 -1.181 -15.193 11.900 1.00 0.00 C ATOM 0 HA PRO A 16 0.040 -12.113 11.799 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.354 -13.813 13.540 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.238 -13.188 13.922 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.548 -15.900 12.964 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.787 -15.434 14.000 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.996 -16.062 11.269 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.224 -15.243 12.213 1.00 0.00 H new ATOM 229 N CYS A 17 1.642 -12.839 9.861 1.00 0.00 N ATOM 230 CA CYS A 17 2.906 -12.989 9.080 1.00 0.00 C ATOM 231 C CYS A 17 4.074 -12.352 9.831 1.00 0.00 C ATOM 232 O CYS A 17 5.224 -12.672 9.603 1.00 0.00 O ATOM 233 CB CYS A 17 2.658 -12.243 7.775 1.00 0.00 C ATOM 234 SG CYS A 17 2.822 -13.393 6.389 1.00 0.00 S ATOM 0 H CYS A 17 0.914 -12.287 9.407 1.00 0.00 H new ATOM 0 HA CYS A 17 3.160 -14.036 8.916 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.662 -11.800 7.779 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.370 -11.424 7.670 1.00 0.00 H new ATOM 239 N SER A 18 3.787 -11.444 10.719 1.00 0.00 N ATOM 240 CA SER A 18 4.877 -10.767 11.483 1.00 0.00 C ATOM 241 C SER A 18 5.594 -11.753 12.414 1.00 0.00 C ATOM 242 O SER A 18 6.536 -11.399 13.093 1.00 0.00 O ATOM 243 CB SER A 18 4.172 -9.680 12.293 1.00 0.00 C ATOM 244 OG SER A 18 5.030 -9.235 13.333 1.00 0.00 O ATOM 0 H SER A 18 2.842 -11.138 10.952 1.00 0.00 H new ATOM 0 HA SER A 18 5.642 -10.360 10.822 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.904 -8.845 11.646 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.244 -10.068 12.713 1.00 0.00 H new ATOM 0 HG SER A 18 5.879 -9.723 13.288 1.00 0.00 H new ATOM 250 N LEU A 19 5.161 -12.982 12.451 1.00 0.00 N ATOM 251 CA LEU A 19 5.829 -13.977 13.337 1.00 0.00 C ATOM 252 C LEU A 19 6.065 -15.288 12.580 1.00 0.00 C ATOM 253 O LEU A 19 6.613 -16.231 13.114 1.00 0.00 O ATOM 254 CB LEU A 19 4.853 -14.195 14.493 1.00 0.00 C ATOM 255 CG LEU A 19 4.953 -13.025 15.475 1.00 0.00 C ATOM 256 CD1 LEU A 19 3.639 -12.893 16.246 1.00 0.00 C ATOM 257 CD2 LEU A 19 6.097 -13.279 16.457 1.00 0.00 C ATOM 0 H LEU A 19 4.376 -13.340 11.908 1.00 0.00 H new ATOM 0 HA LEU A 19 6.803 -13.632 13.684 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.835 -14.278 14.112 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.080 -15.131 15.003 1.00 0.00 H new ATOM 0 HG LEU A 19 5.145 -12.104 14.924 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.710 -12.060 16.945 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.823 -12.711 15.546 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.446 -13.814 16.797 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.168 -12.446 17.156 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.906 -14.200 17.008 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.034 -13.373 15.908 1.00 0.00 H new ATOM 269 N MET A 20 5.658 -15.358 11.339 1.00 0.00 N ATOM 270 CA MET A 20 5.868 -16.613 10.561 1.00 0.00 C ATOM 271 C MET A 20 7.150 -16.513 9.733 1.00 0.00 C ATOM 272 O MET A 20 7.445 -15.490 9.148 1.00 0.00 O ATOM 273 CB MET A 20 4.656 -16.737 9.628 1.00 0.00 C ATOM 274 CG MET A 20 3.358 -16.451 10.387 1.00 0.00 C ATOM 275 SD MET A 20 2.612 -18.011 10.923 1.00 0.00 S ATOM 276 CE MET A 20 0.886 -17.516 10.704 1.00 0.00 C ATOM 0 H MET A 20 5.192 -14.604 10.834 1.00 0.00 H new ATOM 0 HA MET A 20 5.965 -17.477 11.218 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.758 -16.040 8.796 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.620 -17.739 9.201 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.562 -15.818 11.251 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.664 -15.905 9.748 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.343 -17.666 11.637 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.842 -16.464 10.424 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.431 -18.120 9.919 1.00 0.00 H new ATOM 286 N LYS A 21 7.906 -17.572 9.669 1.00 0.00 N ATOM 287 CA LYS A 21 9.160 -17.544 8.867 1.00 0.00 C ATOM 288 C LYS A 21 8.877 -18.038 7.443 1.00 0.00 C ATOM 289 O LYS A 21 9.501 -17.609 6.492 1.00 0.00 O ATOM 290 CB LYS A 21 10.115 -18.495 9.591 1.00 0.00 C ATOM 291 CG LYS A 21 11.258 -18.885 8.651 1.00 0.00 C ATOM 292 CD LYS A 21 12.348 -19.608 9.444 1.00 0.00 C ATOM 293 CE LYS A 21 12.514 -21.027 8.900 1.00 0.00 C ATOM 294 NZ LYS A 21 11.617 -21.866 9.743 1.00 0.00 N ATOM 0 H LYS A 21 7.710 -18.456 10.138 1.00 0.00 H new ATOM 0 HA LYS A 21 9.579 -16.542 8.780 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.513 -18.016 10.486 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.579 -19.386 9.918 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.884 -19.530 7.855 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.670 -17.996 8.174 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.290 -19.065 9.368 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.084 -19.640 10.501 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.234 -21.082 7.848 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.550 -21.360 8.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.674 -22.857 9.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.912 -21.798 10.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.637 -21.530 9.649 1.00 0.00 H new ATOM 308 N SER A 22 7.938 -18.936 7.287 1.00 0.00 N ATOM 309 CA SER A 22 7.620 -19.449 5.922 1.00 0.00 C ATOM 310 C SER A 22 6.154 -19.889 5.845 1.00 0.00 C ATOM 311 O SER A 22 5.418 -19.798 6.805 1.00 0.00 O ATOM 312 CB SER A 22 8.547 -20.648 5.724 1.00 0.00 C ATOM 313 OG SER A 22 8.890 -20.759 4.351 1.00 0.00 O ATOM 0 H SER A 22 7.380 -19.334 8.043 1.00 0.00 H new ATOM 0 HA SER A 22 7.763 -18.689 5.154 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.448 -20.528 6.326 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.056 -21.561 6.062 1.00 0.00 H new ATOM 0 HG SER A 22 9.486 -21.527 4.224 1.00 0.00 H new ATOM 319 N TYR A 23 5.727 -20.361 4.706 1.00 0.00 N ATOM 320 CA TYR A 23 4.310 -20.811 4.556 1.00 0.00 C ATOM 321 C TYR A 23 4.233 -21.934 3.513 1.00 0.00 C ATOM 322 O TYR A 23 5.052 -22.009 2.619 1.00 0.00 O ATOM 323 CB TYR A 23 3.558 -19.568 4.077 1.00 0.00 C ATOM 324 CG TYR A 23 3.976 -19.250 2.660 1.00 0.00 C ATOM 325 CD1 TYR A 23 3.452 -19.987 1.592 1.00 0.00 C ATOM 326 CD2 TYR A 23 4.896 -18.222 2.419 1.00 0.00 C ATOM 327 CE1 TYR A 23 3.848 -19.695 0.281 1.00 0.00 C ATOM 328 CE2 TYR A 23 5.290 -17.930 1.107 1.00 0.00 C ATOM 329 CZ TYR A 23 4.766 -18.668 0.038 1.00 0.00 C ATOM 330 OH TYR A 23 5.157 -18.381 -1.254 1.00 0.00 O ATOM 0 H TYR A 23 6.300 -20.456 3.867 1.00 0.00 H new ATOM 0 HA TYR A 23 3.889 -21.207 5.480 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.482 -19.739 4.122 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.774 -18.723 4.731 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.743 -20.780 1.779 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.301 -17.655 3.244 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.444 -20.264 -0.544 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.998 -17.136 0.920 1.00 0.00 H new ATOM 0 HH TYR A 23 5.798 -17.640 -1.245 1.00 0.00 H new ATOM 340 N PHE A 24 3.263 -22.808 3.608 1.00 0.00 N ATOM 341 CA PHE A 24 3.167 -23.907 2.600 1.00 0.00 C ATOM 342 C PHE A 24 1.705 -24.287 2.349 1.00 0.00 C ATOM 343 O PHE A 24 0.895 -24.320 3.252 1.00 0.00 O ATOM 344 CB PHE A 24 3.948 -25.085 3.204 1.00 0.00 C ATOM 345 CG PHE A 24 3.071 -25.886 4.145 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.091 -26.753 3.633 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.244 -25.769 5.530 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.291 -27.497 4.507 1.00 0.00 C ATOM 349 CE2 PHE A 24 2.441 -26.514 6.401 1.00 0.00 C ATOM 350 CZ PHE A 24 1.464 -27.378 5.890 1.00 0.00 C ATOM 0 H PHE A 24 2.542 -22.809 4.330 1.00 0.00 H new ATOM 0 HA PHE A 24 3.576 -23.609 1.634 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.317 -25.730 2.406 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.820 -24.712 3.741 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.955 -26.845 2.566 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.997 -25.104 5.926 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.539 -28.164 4.113 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.575 -26.423 7.469 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.845 -27.952 6.563 1.00 0.00 H new ATOM 360 N GLU A 25 1.370 -24.584 1.125 1.00 0.00 N ATOM 361 CA GLU A 25 -0.032 -24.973 0.808 1.00 0.00 C ATOM 362 C GLU A 25 -0.174 -26.493 0.890 1.00 0.00 C ATOM 363 O GLU A 25 0.734 -27.228 0.557 1.00 0.00 O ATOM 364 CB GLU A 25 -0.270 -24.486 -0.622 1.00 0.00 C ATOM 365 CG GLU A 25 0.591 -25.301 -1.591 1.00 0.00 C ATOM 366 CD GLU A 25 1.095 -24.394 -2.715 1.00 0.00 C ATOM 367 OE1 GLU A 25 0.718 -23.235 -2.729 1.00 0.00 O ATOM 368 OE2 GLU A 25 1.851 -24.875 -3.544 1.00 0.00 O ATOM 0 H GLU A 25 2.008 -24.574 0.329 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.753 -24.542 1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.324 -24.588 -0.881 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.023 -23.427 -0.702 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.434 -25.743 -1.061 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.009 -26.124 -2.007 1.00 0.00 H new ATOM 375 N THR A 26 -1.304 -26.974 1.328 1.00 0.00 N ATOM 376 CA THR A 26 -1.489 -28.447 1.426 1.00 0.00 C ATOM 377 C THR A 26 -1.660 -29.044 0.027 1.00 0.00 C ATOM 378 O THR A 26 -1.449 -28.382 -0.969 1.00 0.00 O ATOM 379 CB THR A 26 -2.760 -28.638 2.254 1.00 0.00 C ATOM 380 OG1 THR A 26 -3.858 -28.043 1.577 1.00 0.00 O ATOM 381 CG2 THR A 26 -2.583 -27.976 3.623 1.00 0.00 C ATOM 0 H THR A 26 -2.104 -26.413 1.621 1.00 0.00 H new ATOM 0 HA THR A 26 -0.634 -28.943 1.884 1.00 0.00 H new ATOM 0 HB THR A 26 -2.950 -29.703 2.389 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.133 -28.617 0.832 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.489 -28.112 4.213 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.740 -28.433 4.142 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.393 -26.911 3.490 1.00 0.00 H new ATOM 389 N SER A 27 -2.036 -30.289 -0.056 1.00 0.00 N ATOM 390 CA SER A 27 -2.216 -30.922 -1.395 1.00 0.00 C ATOM 391 C SER A 27 -3.671 -31.359 -1.585 1.00 0.00 C ATOM 392 O SER A 27 -4.436 -31.433 -0.644 1.00 0.00 O ATOM 393 CB SER A 27 -1.287 -32.136 -1.382 1.00 0.00 C ATOM 394 OG SER A 27 0.018 -31.727 -0.996 1.00 0.00 O ATOM 0 H SER A 27 -2.226 -30.895 0.742 1.00 0.00 H new ATOM 0 HA SER A 27 -1.984 -30.238 -2.211 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.664 -32.889 -0.690 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.259 -32.597 -2.369 1.00 0.00 H new ATOM 0 HG SER A 27 0.615 -32.504 -0.985 1.00 0.00 H new ATOM 400 N SER A 28 -4.060 -31.648 -2.797 1.00 0.00 N ATOM 401 CA SER A 28 -5.467 -32.078 -3.043 1.00 0.00 C ATOM 402 C SER A 28 -5.716 -33.441 -2.400 1.00 0.00 C ATOM 403 O SER A 28 -6.840 -33.873 -2.242 1.00 0.00 O ATOM 404 CB SER A 28 -5.600 -32.163 -4.564 1.00 0.00 C ATOM 405 OG SER A 28 -6.230 -33.387 -4.917 1.00 0.00 O ATOM 0 H SER A 28 -3.467 -31.605 -3.626 1.00 0.00 H new ATOM 0 HA SER A 28 -6.193 -31.387 -2.615 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.183 -31.321 -4.936 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.617 -32.100 -5.030 1.00 0.00 H new ATOM 0 HG SER A 28 -6.317 -33.441 -5.892 1.00 0.00 H new ATOM 411 N GLU A 29 -4.670 -34.113 -2.020 1.00 0.00 N ATOM 412 CA GLU A 29 -4.832 -35.447 -1.376 1.00 0.00 C ATOM 413 C GLU A 29 -5.350 -35.271 0.053 1.00 0.00 C ATOM 414 O GLU A 29 -5.884 -36.183 0.649 1.00 0.00 O ATOM 415 CB GLU A 29 -3.431 -36.057 -1.369 1.00 0.00 C ATOM 416 CG GLU A 29 -3.530 -37.568 -1.587 1.00 0.00 C ATOM 417 CD GLU A 29 -2.311 -38.050 -2.375 1.00 0.00 C ATOM 418 OE1 GLU A 29 -1.204 -37.823 -1.913 1.00 0.00 O ATOM 419 OE2 GLU A 29 -2.504 -38.636 -3.427 1.00 0.00 O ATOM 0 H GLU A 29 -3.706 -33.797 -2.127 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.545 -36.082 -1.902 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.822 -35.605 -2.152 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.937 -35.848 -0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.583 -38.082 -0.627 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.445 -37.809 -2.128 1.00 0.00 H new ATOM 426 N CYS A 30 -5.191 -34.100 0.602 1.00 0.00 N ATOM 427 CA CYS A 30 -5.664 -33.847 1.984 1.00 0.00 C ATOM 428 C CYS A 30 -7.192 -33.762 2.010 1.00 0.00 C ATOM 429 O CYS A 30 -7.808 -33.228 1.109 1.00 0.00 O ATOM 430 CB CYS A 30 -5.048 -32.500 2.346 1.00 0.00 C ATOM 431 SG CYS A 30 -3.306 -32.727 2.776 1.00 0.00 S ATOM 0 H CYS A 30 -4.749 -33.302 0.145 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.381 -34.636 2.680 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.139 -31.810 1.507 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -5.585 -32.056 3.184 1.00 0.00 H new ATOM 436 N SER A 31 -7.810 -34.277 3.037 1.00 0.00 N ATOM 437 CA SER A 31 -9.296 -34.214 3.116 1.00 0.00 C ATOM 438 C SER A 31 -9.754 -32.755 3.126 1.00 0.00 C ATOM 439 O SER A 31 -10.911 -32.451 2.917 1.00 0.00 O ATOM 440 CB SER A 31 -9.655 -34.907 4.430 1.00 0.00 C ATOM 441 OG SER A 31 -11.022 -35.292 4.405 1.00 0.00 O ATOM 0 H SER A 31 -7.351 -34.738 3.823 1.00 0.00 H new ATOM 0 HA SER A 31 -9.781 -34.693 2.265 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.022 -35.782 4.576 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.470 -34.236 5.269 1.00 0.00 H new ATOM 0 HG SER A 31 -11.252 -35.738 5.247 1.00 0.00 H new ATOM 447 N LYS A 32 -8.844 -31.856 3.361 1.00 0.00 N ATOM 448 CA LYS A 32 -9.199 -30.408 3.381 1.00 0.00 C ATOM 449 C LYS A 32 -7.976 -29.569 2.997 1.00 0.00 C ATOM 450 O LYS A 32 -6.934 -29.680 3.611 1.00 0.00 O ATOM 451 CB LYS A 32 -9.619 -30.117 4.822 1.00 0.00 C ATOM 452 CG LYS A 32 -10.758 -29.094 4.824 1.00 0.00 C ATOM 453 CD LYS A 32 -11.221 -28.847 6.261 1.00 0.00 C ATOM 454 CE LYS A 32 -12.525 -28.046 6.244 1.00 0.00 C ATOM 455 NZ LYS A 32 -13.531 -28.966 5.642 1.00 0.00 N ATOM 0 H LYS A 32 -7.861 -32.061 3.542 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.992 -30.165 2.674 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.941 -31.036 5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.771 -29.734 5.389 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.423 -28.160 4.373 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.589 -29.459 4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.371 -29.797 6.775 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.455 -28.303 6.813 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.817 -27.745 7.250 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.421 -27.134 5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.456 -28.810 6.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.605 -28.780 4.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.235 -29.951 5.794 1.00 0.00 H new ATOM 469 N PRO A 33 -8.144 -28.755 1.989 1.00 0.00 N ATOM 470 CA PRO A 33 -7.033 -27.892 1.519 1.00 0.00 C ATOM 471 C PRO A 33 -6.770 -26.764 2.516 1.00 0.00 C ATOM 472 O PRO A 33 -7.412 -26.663 3.543 1.00 0.00 O ATOM 473 CB PRO A 33 -7.545 -27.335 0.195 1.00 0.00 C ATOM 474 CG PRO A 33 -9.037 -27.399 0.298 1.00 0.00 C ATOM 475 CD PRO A 33 -9.366 -28.563 1.199 1.00 0.00 C ATOM 0 HA PRO A 33 -6.091 -28.430 1.415 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.204 -26.312 0.039 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.182 -27.924 -0.647 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.436 -26.470 0.706 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.486 -27.534 -0.686 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.223 -28.345 1.836 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.614 -29.455 0.624 1.00 0.00 H new ATOM 483 N GLY A 34 -5.827 -25.917 2.220 1.00 0.00 N ATOM 484 CA GLY A 34 -5.517 -24.794 3.148 1.00 0.00 C ATOM 485 C GLY A 34 -4.001 -24.617 3.239 1.00 0.00 C ATOM 486 O GLY A 34 -3.247 -25.555 3.086 1.00 0.00 O ATOM 0 H GLY A 34 -5.256 -25.953 1.375 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.981 -23.874 2.792 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.931 -24.998 4.136 1.00 0.00 H new ATOM 490 N VAL A 35 -3.552 -23.421 3.491 1.00 0.00 N ATOM 491 CA VAL A 35 -2.081 -23.186 3.595 1.00 0.00 C ATOM 492 C VAL A 35 -1.693 -22.948 5.057 1.00 0.00 C ATOM 493 O VAL A 35 -2.262 -22.113 5.732 1.00 0.00 O ATOM 494 CB VAL A 35 -1.807 -21.938 2.748 1.00 0.00 C ATOM 495 CG1 VAL A 35 -2.884 -20.882 3.008 1.00 0.00 C ATOM 496 CG2 VAL A 35 -0.436 -21.367 3.114 1.00 0.00 C ATOM 0 H VAL A 35 -4.136 -22.596 3.630 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.500 -24.039 3.245 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.822 -22.211 1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.681 -19.999 2.402 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.861 -21.286 2.744 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.877 -20.608 4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.239 -20.479 2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.424 -21.100 4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.333 -22.115 2.920 1.00 0.00 H new ATOM 506 N ILE A 36 -0.728 -23.676 5.552 1.00 0.00 N ATOM 507 CA ILE A 36 -0.309 -23.489 6.970 1.00 0.00 C ATOM 508 C ILE A 36 0.996 -22.697 7.031 1.00 0.00 C ATOM 509 O ILE A 36 1.931 -22.965 6.304 1.00 0.00 O ATOM 510 CB ILE A 36 -0.112 -24.904 7.520 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.474 -25.506 7.868 1.00 0.00 C ATOM 512 CG2 ILE A 36 0.765 -24.855 8.779 1.00 0.00 C ATOM 513 CD1 ILE A 36 -1.280 -26.761 8.722 1.00 0.00 C ATOM 0 H ILE A 36 -0.213 -24.390 5.037 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.045 -22.932 7.549 1.00 0.00 H new ATOM 0 HB ILE A 36 0.379 -25.520 6.766 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.078 -24.777 8.408 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.016 -25.755 6.956 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.902 -25.865 9.166 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.736 -24.427 8.530 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.280 -24.239 9.536 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.252 -27.187 8.968 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.693 -27.492 8.166 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.756 -26.498 9.641 1.00 0.00 H new ATOM 525 N PHE A 37 1.072 -21.733 7.900 1.00 0.00 N ATOM 526 CA PHE A 37 2.323 -20.936 8.011 1.00 0.00 C ATOM 527 C PHE A 37 3.210 -21.521 9.113 1.00 0.00 C ATOM 528 O PHE A 37 2.745 -21.852 10.185 1.00 0.00 O ATOM 529 CB PHE A 37 1.869 -19.523 8.376 1.00 0.00 C ATOM 530 CG PHE A 37 1.087 -18.920 7.230 1.00 0.00 C ATOM 531 CD1 PHE A 37 -0.188 -19.408 6.916 1.00 0.00 C ATOM 532 CD2 PHE A 37 1.632 -17.864 6.485 1.00 0.00 C ATOM 533 CE1 PHE A 37 -0.914 -18.843 5.861 1.00 0.00 C ATOM 534 CE2 PHE A 37 0.903 -17.299 5.431 1.00 0.00 C ATOM 535 CZ PHE A 37 -0.370 -17.788 5.118 1.00 0.00 C ATOM 0 H PHE A 37 0.324 -21.462 8.538 1.00 0.00 H new ATOM 0 HA PHE A 37 2.905 -20.943 7.090 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.252 -19.551 9.274 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.735 -18.901 8.604 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.611 -20.220 7.488 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.615 -17.486 6.724 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.896 -19.222 5.619 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.324 -16.485 4.859 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.932 -17.353 4.305 1.00 0.00 H new ATOM 545 N LEU A 38 4.483 -21.647 8.861 1.00 0.00 N ATOM 546 CA LEU A 38 5.389 -22.207 9.900 1.00 0.00 C ATOM 547 C LEU A 38 6.075 -21.062 10.641 1.00 0.00 C ATOM 548 O LEU A 38 6.755 -20.249 10.050 1.00 0.00 O ATOM 549 CB LEU A 38 6.412 -23.042 9.128 1.00 0.00 C ATOM 550 CG LEU A 38 6.277 -24.512 9.528 1.00 0.00 C ATOM 551 CD1 LEU A 38 6.509 -25.398 8.303 1.00 0.00 C ATOM 552 CD2 LEU A 38 7.315 -24.845 10.603 1.00 0.00 C ATOM 0 H LEU A 38 4.933 -21.387 7.983 1.00 0.00 H new ATOM 0 HA LEU A 38 4.862 -22.807 10.642 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.254 -22.930 8.055 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.421 -22.688 9.340 1.00 0.00 H new ATOM 0 HG LEU A 38 5.276 -24.691 9.921 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.413 -26.446 8.588 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.770 -25.161 7.537 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.510 -25.220 7.909 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.220 -25.893 10.889 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.316 -24.666 10.210 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.150 -24.214 11.476 1.00 0.00 H new ATOM 564 N THR A 39 5.887 -20.982 11.929 1.00 0.00 N ATOM 565 CA THR A 39 6.515 -19.875 12.705 1.00 0.00 C ATOM 566 C THR A 39 7.898 -20.291 13.204 1.00 0.00 C ATOM 567 O THR A 39 8.135 -21.438 13.524 1.00 0.00 O ATOM 568 CB THR A 39 5.575 -19.630 13.891 1.00 0.00 C ATOM 569 OG1 THR A 39 5.824 -20.604 14.895 1.00 0.00 O ATOM 570 CG2 THR A 39 4.119 -19.728 13.434 1.00 0.00 C ATOM 0 H THR A 39 5.327 -21.634 12.478 1.00 0.00 H new ATOM 0 HA THR A 39 6.650 -18.980 12.098 1.00 0.00 H new ATOM 0 HB THR A 39 5.755 -18.633 14.292 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.100 -20.158 15.723 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.459 -19.553 14.283 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.928 -18.980 12.665 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.931 -20.722 13.028 1.00 0.00 H new ATOM 578 N LYS A 40 8.811 -19.365 13.274 1.00 0.00 N ATOM 579 CA LYS A 40 10.179 -19.708 13.756 1.00 0.00 C ATOM 580 C LYS A 40 10.126 -20.125 15.229 1.00 0.00 C ATOM 581 O LYS A 40 10.968 -20.861 15.706 1.00 0.00 O ATOM 582 CB LYS A 40 10.995 -18.427 13.590 1.00 0.00 C ATOM 583 CG LYS A 40 12.484 -18.751 13.727 1.00 0.00 C ATOM 584 CD LYS A 40 13.310 -17.586 13.183 1.00 0.00 C ATOM 585 CE LYS A 40 14.722 -17.645 13.767 1.00 0.00 C ATOM 586 NZ LYS A 40 15.611 -17.200 12.658 1.00 0.00 N ATOM 0 H LYS A 40 8.671 -18.387 13.019 1.00 0.00 H new ATOM 0 HA LYS A 40 10.616 -20.540 13.203 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.797 -17.980 12.616 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.700 -17.695 14.342 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.733 -18.931 14.773 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.720 -19.665 13.181 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.353 -17.634 12.095 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.837 -16.639 13.442 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.818 -16.994 14.636 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.973 -18.654 14.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.600 -17.213 12.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.502 -17.842 11.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.352 -16.234 12.372 1.00 0.00 H new ATOM 600 N LYS A 41 9.144 -19.661 15.951 1.00 0.00 N ATOM 601 CA LYS A 41 9.038 -20.031 17.392 1.00 0.00 C ATOM 602 C LYS A 41 8.663 -21.507 17.536 1.00 0.00 C ATOM 603 O LYS A 41 8.612 -22.042 18.626 1.00 0.00 O ATOM 604 CB LYS A 41 7.931 -19.139 17.950 1.00 0.00 C ATOM 605 CG LYS A 41 8.181 -18.888 19.438 1.00 0.00 C ATOM 606 CD LYS A 41 8.578 -17.426 19.648 1.00 0.00 C ATOM 607 CE LYS A 41 7.487 -16.710 20.445 1.00 0.00 C ATOM 608 NZ LYS A 41 6.509 -16.245 19.421 1.00 0.00 N ATOM 0 H LYS A 41 8.410 -19.042 15.607 1.00 0.00 H new ATOM 0 HA LYS A 41 9.980 -19.892 17.923 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.905 -18.193 17.410 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.960 -19.614 17.808 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.284 -19.119 20.013 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.970 -19.546 19.801 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.528 -17.369 20.179 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.721 -16.935 18.685 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.017 -17.381 21.164 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.896 -15.873 21.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.728 -15.743 19.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.983 -15.603 18.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.132 -17.065 18.903 1.00 0.00 H new ATOM 622 N GLY A 42 8.402 -22.168 16.445 1.00 0.00 N ATOM 623 CA GLY A 42 8.032 -23.610 16.515 1.00 0.00 C ATOM 624 C GLY A 42 6.511 -23.744 16.621 1.00 0.00 C ATOM 625 O GLY A 42 5.991 -24.289 17.574 1.00 0.00 O ATOM 0 H GLY A 42 8.429 -21.772 15.505 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.392 -24.132 15.629 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.509 -24.077 17.376 1.00 0.00 H new ATOM 629 N ARG A 43 5.793 -23.253 15.648 1.00 0.00 N ATOM 630 CA ARG A 43 4.307 -23.353 15.694 1.00 0.00 C ATOM 631 C ARG A 43 3.743 -23.431 14.274 1.00 0.00 C ATOM 632 O ARG A 43 4.467 -23.322 13.304 1.00 0.00 O ATOM 633 CB ARG A 43 3.849 -22.070 16.385 1.00 0.00 C ATOM 634 CG ARG A 43 2.851 -22.415 17.492 1.00 0.00 C ATOM 635 CD ARG A 43 3.542 -23.278 18.550 1.00 0.00 C ATOM 636 NE ARG A 43 2.638 -23.232 19.734 1.00 0.00 N ATOM 637 CZ ARG A 43 2.910 -23.947 20.791 1.00 0.00 C ATOM 638 NH1 ARG A 43 4.133 -24.008 21.243 1.00 0.00 N ATOM 639 NH2 ARG A 43 1.957 -24.604 21.395 1.00 0.00 N ATOM 0 H ARG A 43 6.171 -22.787 14.823 1.00 0.00 H new ATOM 0 HA ARG A 43 3.965 -24.244 16.221 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.707 -21.544 16.805 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.387 -21.399 15.661 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.466 -21.502 17.947 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.997 -22.948 17.074 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.679 -24.300 18.198 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.531 -22.889 18.793 1.00 0.00 H new ATOM 0 HE ARG A 43 1.806 -22.641 19.718 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.878 -23.496 20.770 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.344 -24.567 22.069 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.002 -24.558 21.040 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.168 -25.163 22.221 1.00 0.00 H new ATOM 653 N GLN A 44 2.459 -23.621 14.138 1.00 0.00 N ATOM 654 CA GLN A 44 1.868 -23.704 12.773 1.00 0.00 C ATOM 655 C GLN A 44 0.444 -23.146 12.765 1.00 0.00 C ATOM 656 O GLN A 44 -0.374 -23.483 13.598 1.00 0.00 O ATOM 657 CB GLN A 44 1.852 -25.192 12.428 1.00 0.00 C ATOM 658 CG GLN A 44 1.047 -25.952 13.485 1.00 0.00 C ATOM 659 CD GLN A 44 1.579 -27.382 13.603 1.00 0.00 C ATOM 660 OE1 GLN A 44 0.863 -28.331 13.353 1.00 0.00 O ATOM 661 NE2 GLN A 44 2.813 -27.578 13.979 1.00 0.00 N ATOM 0 H GLN A 44 1.798 -23.722 14.908 1.00 0.00 H new ATOM 0 HA GLN A 44 2.441 -23.121 12.052 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.412 -25.343 11.442 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.871 -25.577 12.385 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.121 -25.445 14.447 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.008 -25.967 13.212 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.415 -26.782 14.189 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.176 -28.528 14.063 1.00 0.00 H new ATOM 670 N VAL A 45 0.142 -22.308 11.815 1.00 0.00 N ATOM 671 CA VAL A 45 -1.230 -21.735 11.728 1.00 0.00 C ATOM 672 C VAL A 45 -1.957 -22.342 10.526 1.00 0.00 C ATOM 673 O VAL A 45 -1.334 -22.812 9.594 1.00 0.00 O ATOM 674 CB VAL A 45 -1.026 -20.233 11.536 1.00 0.00 C ATOM 675 CG1 VAL A 45 -2.340 -19.594 11.088 1.00 0.00 C ATOM 676 CG2 VAL A 45 -0.580 -19.605 12.859 1.00 0.00 C ATOM 0 H VAL A 45 0.789 -21.993 11.092 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.831 -21.944 12.613 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.262 -20.065 10.777 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.195 -18.522 10.951 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.659 -20.041 10.146 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.104 -19.763 11.847 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.434 -18.533 12.722 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.344 -19.773 13.618 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.357 -20.060 13.180 1.00 0.00 H new ATOM 686 N CYS A 46 -3.261 -22.342 10.535 1.00 0.00 N ATOM 687 CA CYS A 46 -4.005 -22.931 9.383 1.00 0.00 C ATOM 688 C CYS A 46 -4.815 -21.848 8.675 1.00 0.00 C ATOM 689 O CYS A 46 -5.542 -21.108 9.295 1.00 0.00 O ATOM 690 CB CYS A 46 -4.934 -23.976 10.000 1.00 0.00 C ATOM 691 SG CYS A 46 -4.411 -25.633 9.488 1.00 0.00 S ATOM 0 H CYS A 46 -3.841 -21.963 11.283 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.338 -23.369 8.641 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.915 -23.897 11.087 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.962 -23.795 9.685 1.00 0.00 H new ATOM 696 N ALA A 47 -4.694 -21.744 7.383 1.00 0.00 N ATOM 697 CA ALA A 47 -5.463 -20.695 6.658 1.00 0.00 C ATOM 698 C ALA A 47 -6.201 -21.289 5.460 1.00 0.00 C ATOM 699 O ALA A 47 -5.797 -22.287 4.895 1.00 0.00 O ATOM 700 CB ALA A 47 -4.417 -19.692 6.184 1.00 0.00 C ATOM 0 H ALA A 47 -4.101 -22.335 6.800 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.218 -20.238 7.297 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.907 -18.885 5.639 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.891 -19.281 7.045 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.704 -20.192 5.528 1.00 0.00 H new ATOM 706 N LYS A 48 -7.276 -20.671 5.060 1.00 0.00 N ATOM 707 CA LYS A 48 -8.042 -21.179 3.891 1.00 0.00 C ATOM 708 C LYS A 48 -7.150 -21.173 2.645 1.00 0.00 C ATOM 709 O LYS A 48 -6.035 -20.690 2.685 1.00 0.00 O ATOM 710 CB LYS A 48 -9.199 -20.192 3.728 1.00 0.00 C ATOM 711 CG LYS A 48 -10.482 -20.809 4.288 1.00 0.00 C ATOM 712 CD LYS A 48 -11.666 -19.889 3.976 1.00 0.00 C ATOM 713 CE LYS A 48 -12.580 -20.567 2.951 1.00 0.00 C ATOM 714 NZ LYS A 48 -13.368 -21.557 3.739 1.00 0.00 N ATOM 0 H LYS A 48 -7.658 -19.832 5.495 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.394 -22.201 4.029 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.973 -19.262 4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.332 -19.943 2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.647 -21.793 3.850 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.391 -20.950 5.365 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.222 -19.672 4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.308 -18.936 3.586 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.231 -19.843 2.462 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.001 -21.056 2.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.078 -22.004 3.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.730 -22.286 4.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.847 -21.073 4.525 1.00 0.00 H new ATOM 728 N PRO A 49 -7.671 -21.711 1.576 1.00 0.00 N ATOM 729 CA PRO A 49 -6.911 -21.766 0.302 1.00 0.00 C ATOM 730 C PRO A 49 -6.809 -20.368 -0.316 1.00 0.00 C ATOM 731 O PRO A 49 -5.826 -20.026 -0.942 1.00 0.00 O ATOM 732 CB PRO A 49 -7.750 -22.689 -0.575 1.00 0.00 C ATOM 733 CG PRO A 49 -9.138 -22.590 -0.023 1.00 0.00 C ATOM 734 CD PRO A 49 -9.005 -22.310 1.452 1.00 0.00 C ATOM 0 HA PRO A 49 -5.888 -22.120 0.426 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.717 -22.379 -1.619 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.381 -23.714 -0.535 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.694 -21.794 -0.518 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.688 -23.516 -0.192 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.782 -21.631 1.802 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.090 -23.223 2.042 1.00 0.00 H new ATOM 742 N SER A 50 -7.818 -19.561 -0.139 1.00 0.00 N ATOM 743 CA SER A 50 -7.784 -18.183 -0.707 1.00 0.00 C ATOM 744 C SER A 50 -8.199 -17.172 0.365 1.00 0.00 C ATOM 745 O SER A 50 -8.828 -16.172 0.080 1.00 0.00 O ATOM 746 CB SER A 50 -8.798 -18.203 -1.852 1.00 0.00 C ATOM 747 OG SER A 50 -8.674 -19.419 -2.574 1.00 0.00 O ATOM 0 H SER A 50 -8.667 -19.796 0.376 1.00 0.00 H new ATOM 0 HA SER A 50 -6.791 -17.896 -1.052 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.809 -18.103 -1.458 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.630 -17.355 -2.516 1.00 0.00 H new ATOM 0 HG SER A 50 -9.325 -19.432 -3.307 1.00 0.00 H new ATOM 753 N GLY A 51 -7.856 -17.431 1.597 1.00 0.00 N ATOM 754 CA GLY A 51 -8.233 -16.494 2.691 1.00 0.00 C ATOM 755 C GLY A 51 -7.790 -15.076 2.328 1.00 0.00 C ATOM 756 O GLY A 51 -6.702 -14.873 1.826 1.00 0.00 O ATOM 0 H GLY A 51 -7.330 -18.253 1.893 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.311 -16.519 2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.766 -16.804 3.626 1.00 0.00 H new ATOM 760 N PRO A 52 -8.654 -14.138 2.604 1.00 0.00 N ATOM 761 CA PRO A 52 -8.356 -12.715 2.307 1.00 0.00 C ATOM 762 C PRO A 52 -7.244 -12.206 3.229 1.00 0.00 C ATOM 763 O PRO A 52 -7.494 -11.720 4.314 1.00 0.00 O ATOM 764 CB PRO A 52 -9.678 -12.005 2.592 1.00 0.00 C ATOM 765 CG PRO A 52 -10.389 -12.900 3.556 1.00 0.00 C ATOM 766 CD PRO A 52 -9.976 -14.307 3.218 1.00 0.00 C ATOM 0 HA PRO A 52 -8.005 -12.548 1.288 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.512 -11.016 3.018 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.258 -11.866 1.679 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.122 -12.654 4.584 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.469 -12.782 3.471 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.928 -14.936 4.107 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.680 -14.778 2.532 1.00 0.00 H new ATOM 774 N GLY A 53 -6.017 -12.323 2.803 1.00 0.00 N ATOM 775 CA GLY A 53 -4.885 -11.858 3.649 1.00 0.00 C ATOM 776 C GLY A 53 -3.838 -12.968 3.735 1.00 0.00 C ATOM 777 O GLY A 53 -2.658 -12.716 3.857 1.00 0.00 O ATOM 0 H GLY A 53 -5.750 -12.722 1.903 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.444 -10.956 3.224 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.242 -11.599 4.646 1.00 0.00 H new ATOM 781 N VAL A 54 -4.267 -14.200 3.669 1.00 0.00 N ATOM 782 CA VAL A 54 -3.303 -15.337 3.738 1.00 0.00 C ATOM 783 C VAL A 54 -2.349 -15.290 2.545 1.00 0.00 C ATOM 784 O VAL A 54 -1.165 -15.529 2.676 1.00 0.00 O ATOM 785 CB VAL A 54 -4.178 -16.587 3.684 1.00 0.00 C ATOM 786 CG1 VAL A 54 -3.291 -17.829 3.587 1.00 0.00 C ATOM 787 CG2 VAL A 54 -5.031 -16.656 4.952 1.00 0.00 C ATOM 0 H VAL A 54 -5.246 -14.469 3.570 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.684 -15.310 4.635 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.828 -16.545 2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.917 -18.721 3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.684 -17.773 2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.640 -17.880 4.460 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.659 -17.547 4.920 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.381 -16.701 5.826 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.662 -15.769 5.015 1.00 0.00 H new ATOM 797 N GLN A 55 -2.850 -14.976 1.383 1.00 0.00 N ATOM 798 CA GLN A 55 -1.961 -14.909 0.190 1.00 0.00 C ATOM 799 C GLN A 55 -0.996 -13.741 0.354 1.00 0.00 C ATOM 800 O GLN A 55 0.177 -13.846 0.056 1.00 0.00 O ATOM 801 CB GLN A 55 -2.892 -14.681 -1.001 1.00 0.00 C ATOM 802 CG GLN A 55 -2.642 -15.758 -2.059 1.00 0.00 C ATOM 803 CD GLN A 55 -1.158 -15.771 -2.435 1.00 0.00 C ATOM 804 OE1 GLN A 55 -0.708 -14.946 -3.205 1.00 0.00 O ATOM 805 NE2 GLN A 55 -0.376 -16.679 -1.920 1.00 0.00 N ATOM 0 H GLN A 55 -3.832 -14.764 1.208 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.367 -15.813 0.055 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.931 -14.712 -0.674 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.720 -13.692 -1.426 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.940 -16.734 -1.676 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.250 -15.563 -2.942 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.755 -17.371 -1.274 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.614 -16.697 -2.164 1.00 0.00 H new ATOM 814 N ASP A 56 -1.471 -12.635 0.850 1.00 0.00 N ATOM 815 CA ASP A 56 -0.560 -11.481 1.059 1.00 0.00 C ATOM 816 C ASP A 56 0.456 -11.861 2.133 1.00 0.00 C ATOM 817 O ASP A 56 1.574 -11.387 2.146 1.00 0.00 O ATOM 818 CB ASP A 56 -1.455 -10.334 1.534 1.00 0.00 C ATOM 819 CG ASP A 56 -0.594 -9.247 2.179 1.00 0.00 C ATOM 820 OD1 ASP A 56 -0.259 -9.396 3.343 1.00 0.00 O ATOM 821 OD2 ASP A 56 -0.285 -8.282 1.498 1.00 0.00 O ATOM 0 H ASP A 56 -2.443 -12.481 1.118 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.012 -11.196 0.161 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.011 -9.920 0.693 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.189 -10.704 2.250 1.00 0.00 H new ATOM 826 N CYS A 57 0.074 -12.739 3.025 1.00 0.00 N ATOM 827 CA CYS A 57 1.016 -13.178 4.087 1.00 0.00 C ATOM 828 C CYS A 57 2.156 -13.978 3.451 1.00 0.00 C ATOM 829 O CYS A 57 3.321 -13.717 3.681 1.00 0.00 O ATOM 830 CB CYS A 57 0.182 -14.058 5.022 1.00 0.00 C ATOM 831 SG CYS A 57 1.155 -14.529 6.479 1.00 0.00 S ATOM 0 H CYS A 57 -0.851 -13.168 3.060 1.00 0.00 H new ATOM 0 HA CYS A 57 1.467 -12.345 4.627 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.715 -13.522 5.333 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.148 -14.952 4.493 1.00 0.00 H new ATOM 836 N MET A 58 1.825 -14.948 2.640 1.00 0.00 N ATOM 837 CA MET A 58 2.889 -15.755 1.981 1.00 0.00 C ATOM 838 C MET A 58 3.669 -14.879 1.001 1.00 0.00 C ATOM 839 O MET A 58 4.818 -15.139 0.701 1.00 0.00 O ATOM 840 CB MET A 58 2.151 -16.863 1.232 1.00 0.00 C ATOM 841 CG MET A 58 1.170 -17.562 2.178 1.00 0.00 C ATOM 842 SD MET A 58 -0.364 -17.925 1.289 1.00 0.00 S ATOM 843 CE MET A 58 0.351 -19.033 0.050 1.00 0.00 C ATOM 0 H MET A 58 0.868 -15.214 2.407 1.00 0.00 H new ATOM 0 HA MET A 58 3.604 -16.160 2.697 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.614 -16.444 0.381 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.865 -17.585 0.835 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.609 -18.484 2.560 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.963 -16.927 3.039 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.437 -19.399 -0.609 1.00 0.00 H new ATOM 0 HE2 MET A 58 1.093 -18.492 -0.537 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.828 -19.877 0.549 1.00 0.00 H new ATOM 853 N LYS A 59 3.059 -13.835 0.509 1.00 0.00 N ATOM 854 CA LYS A 59 3.777 -12.940 -0.438 1.00 0.00 C ATOM 855 C LYS A 59 4.919 -12.248 0.304 1.00 0.00 C ATOM 856 O LYS A 59 6.026 -12.148 -0.188 1.00 0.00 O ATOM 857 CB LYS A 59 2.732 -11.920 -0.893 1.00 0.00 C ATOM 858 CG LYS A 59 3.028 -11.490 -2.332 1.00 0.00 C ATOM 859 CD LYS A 59 1.866 -10.645 -2.860 1.00 0.00 C ATOM 860 CE LYS A 59 2.154 -10.221 -4.301 1.00 0.00 C ATOM 861 NZ LYS A 59 1.025 -10.784 -5.095 1.00 0.00 N ATOM 0 H LYS A 59 2.099 -13.565 0.722 1.00 0.00 H new ATOM 0 HA LYS A 59 4.207 -13.473 -1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.734 -12.354 -0.830 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.744 -11.052 -0.233 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.955 -10.917 -2.369 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.170 -12.367 -2.963 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.939 -11.216 -2.817 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.728 -9.765 -2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.200 -9.136 -4.393 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.112 -10.611 -4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.148 -10.537 -6.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.011 -11.819 -4.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.127 -10.390 -4.749 1.00 0.00 H new ATOM 875 N LYS A 60 4.660 -11.786 1.497 1.00 0.00 N ATOM 876 CA LYS A 60 5.730 -11.120 2.284 1.00 0.00 C ATOM 877 C LYS A 60 6.786 -12.152 2.683 1.00 0.00 C ATOM 878 O LYS A 60 7.946 -11.835 2.855 1.00 0.00 O ATOM 879 CB LYS A 60 5.028 -10.561 3.523 1.00 0.00 C ATOM 880 CG LYS A 60 5.087 -9.032 3.497 1.00 0.00 C ATOM 881 CD LYS A 60 6.535 -8.573 3.676 1.00 0.00 C ATOM 882 CE LYS A 60 6.566 -7.063 3.919 1.00 0.00 C ATOM 883 NZ LYS A 60 7.477 -6.523 2.870 1.00 0.00 N ATOM 0 H LYS A 60 3.752 -11.842 1.959 1.00 0.00 H new ATOM 0 HA LYS A 60 6.237 -10.335 1.723 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.991 -10.895 3.548 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.507 -10.939 4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.690 -8.658 2.553 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.463 -8.620 4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.992 -9.097 4.516 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.119 -8.821 2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.569 -6.629 3.838 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.934 -6.831 4.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.550 -5.490 2.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.420 -6.949 2.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.098 -6.753 1.929 1.00 0.00 H new ATOM 897 N LEU A 61 6.393 -13.393 2.826 1.00 0.00 N ATOM 898 CA LEU A 61 7.379 -14.445 3.208 1.00 0.00 C ATOM 899 C LEU A 61 8.278 -14.782 2.017 1.00 0.00 C ATOM 900 O LEU A 61 9.169 -15.602 2.112 1.00 0.00 O ATOM 901 CB LEU A 61 6.536 -15.661 3.600 1.00 0.00 C ATOM 902 CG LEU A 61 5.776 -15.373 4.896 1.00 0.00 C ATOM 903 CD1 LEU A 61 5.225 -16.683 5.465 1.00 0.00 C ATOM 904 CD2 LEU A 61 6.720 -14.734 5.918 1.00 0.00 C ATOM 0 H LEU A 61 5.436 -13.720 2.695 1.00 0.00 H new ATOM 0 HA LEU A 61 8.030 -14.122 4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.833 -15.900 2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.178 -16.532 3.731 1.00 0.00 H new ATOM 0 HG LEU A 61 4.954 -14.689 4.686 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.683 -16.479 6.389 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.549 -17.139 4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.050 -17.365 5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.175 -14.531 6.840 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.545 -15.415 6.127 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.114 -13.801 5.516 1.00 0.00 H new ATOM 916 N LYS A 62 8.053 -14.158 0.893 1.00 0.00 N ATOM 917 CA LYS A 62 8.897 -14.449 -0.301 1.00 0.00 C ATOM 918 C LYS A 62 8.865 -13.272 -1.279 1.00 0.00 C ATOM 919 O LYS A 62 8.321 -13.373 -2.360 1.00 0.00 O ATOM 920 CB LYS A 62 8.272 -15.692 -0.934 1.00 0.00 C ATOM 921 CG LYS A 62 9.310 -16.814 -0.991 1.00 0.00 C ATOM 922 CD LYS A 62 9.036 -17.697 -2.210 1.00 0.00 C ATOM 923 CE LYS A 62 10.258 -17.690 -3.130 1.00 0.00 C ATOM 924 NZ LYS A 62 11.267 -18.535 -2.429 1.00 0.00 N ATOM 0 H LYS A 62 7.323 -13.460 0.750 1.00 0.00 H new ATOM 0 HA LYS A 62 9.942 -14.607 -0.036 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.407 -16.012 -0.354 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.915 -15.461 -1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.314 -16.393 -1.051 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.268 -17.410 -0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.813 -18.715 -1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.161 -17.332 -2.747 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.016 -18.096 -4.112 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.630 -16.677 -3.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.922 -18.944 -3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.800 -17.951 -1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.784 -19.301 -1.918 1.00 0.00 H new ATOM 938 N PRO A 63 9.458 -12.192 -0.858 1.00 0.00 N ATOM 939 CA PRO A 63 9.511 -10.974 -1.694 1.00 0.00 C ATOM 940 C PRO A 63 10.651 -11.072 -2.713 1.00 0.00 C ATOM 941 O PRO A 63 11.605 -10.320 -2.663 1.00 0.00 O ATOM 942 CB PRO A 63 9.788 -9.866 -0.686 1.00 0.00 C ATOM 943 CG PRO A 63 10.471 -10.534 0.471 1.00 0.00 C ATOM 944 CD PRO A 63 10.127 -12.005 0.432 1.00 0.00 C ATOM 0 HA PRO A 63 8.600 -10.810 -2.269 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.420 -9.091 -1.120 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.863 -9.384 -0.370 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.550 -10.393 0.409 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.146 -10.092 1.412 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.021 -12.624 0.509 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.476 -12.282 1.261 1.00 0.00 H new ATOM 952 N TYR A 64 10.564 -11.989 -3.637 1.00 0.00 N ATOM 953 CA TYR A 64 11.648 -12.124 -4.654 1.00 0.00 C ATOM 954 C TYR A 64 11.343 -13.276 -5.616 1.00 0.00 C ATOM 955 O TYR A 64 11.964 -14.319 -5.567 1.00 0.00 O ATOM 956 CB TYR A 64 12.914 -12.418 -3.849 1.00 0.00 C ATOM 957 CG TYR A 64 13.929 -11.330 -4.098 1.00 0.00 C ATOM 958 CD1 TYR A 64 14.443 -11.131 -5.386 1.00 0.00 C ATOM 959 CD2 TYR A 64 14.356 -10.517 -3.042 1.00 0.00 C ATOM 960 CE1 TYR A 64 15.383 -10.121 -5.617 1.00 0.00 C ATOM 961 CE2 TYR A 64 15.297 -9.505 -3.273 1.00 0.00 C ATOM 962 CZ TYR A 64 15.810 -9.307 -4.561 1.00 0.00 C ATOM 963 OH TYR A 64 16.736 -8.311 -4.789 1.00 0.00 O ATOM 0 H TYR A 64 9.792 -12.649 -3.733 1.00 0.00 H new ATOM 0 HA TYR A 64 11.750 -11.226 -5.264 1.00 0.00 H new ATOM 0 HB2 TYR A 64 12.678 -12.474 -2.786 1.00 0.00 H new ATOM 0 HB3 TYR A 64 13.324 -13.386 -4.136 1.00 0.00 H new ATOM 0 HD1 TYR A 64 14.113 -11.758 -6.201 1.00 0.00 H new ATOM 0 HD2 TYR A 64 13.960 -10.670 -2.049 1.00 0.00 H new ATOM 0 HE1 TYR A 64 15.779 -9.969 -6.610 1.00 0.00 H new ATOM 0 HE2 TYR A 64 15.627 -8.878 -2.458 1.00 0.00 H new ATOM 0 HH TYR A 64 16.922 -7.839 -3.950 1.00 0.00 H new ATOM 973 N SER A 65 10.393 -13.092 -6.491 1.00 0.00 N ATOM 974 CA SER A 65 10.048 -14.173 -7.459 1.00 0.00 C ATOM 975 C SER A 65 9.603 -15.432 -6.713 1.00 0.00 C ATOM 976 O SER A 65 10.198 -15.828 -5.731 1.00 0.00 O ATOM 977 CB SER A 65 11.338 -14.437 -8.236 1.00 0.00 C ATOM 978 OG SER A 65 12.070 -13.228 -8.365 1.00 0.00 O ATOM 0 H SER A 65 9.840 -12.239 -6.578 1.00 0.00 H new ATOM 0 HA SER A 65 9.227 -13.889 -8.117 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.939 -15.185 -7.719 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.105 -14.840 -9.222 1.00 0.00 H new ATOM 0 HG SER A 65 12.898 -13.398 -8.862 1.00 0.00 H new ATOM 984 N ILE A 66 8.559 -16.066 -7.171 1.00 0.00 N ATOM 985 CA ILE A 66 8.077 -17.299 -6.489 1.00 0.00 C ATOM 986 C ILE A 66 7.793 -18.395 -7.521 1.00 0.00 C ATOM 987 O ILE A 66 7.229 -18.076 -8.555 1.00 0.00 O ATOM 988 CB ILE A 66 6.791 -16.876 -5.774 1.00 0.00 C ATOM 989 CG1 ILE A 66 6.225 -18.062 -4.984 1.00 0.00 C ATOM 990 CG2 ILE A 66 5.763 -16.394 -6.800 1.00 0.00 C ATOM 991 CD1 ILE A 66 5.539 -19.056 -5.929 1.00 0.00 C ATOM 992 OXT ILE A 66 8.146 -19.533 -7.260 1.00 0.00 O ATOM 0 H ILE A 66 8.019 -15.783 -7.989 1.00 0.00 H new ATOM 0 HA ILE A 66 8.811 -17.706 -5.794 1.00 0.00 H new ATOM 0 HB ILE A 66 7.014 -16.062 -5.084 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.027 -18.561 -4.441 1.00 0.00 H new ATOM 0 HG13 ILE A 66 5.512 -17.705 -4.241 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.850 -16.094 -6.287 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.167 -15.543 -7.348 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.539 -17.201 -7.497 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.143 -19.892 -5.353 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.723 -18.557 -6.452 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.263 -19.427 -6.655 1.00 0.00 H new TER 1004 ILE A 66