USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 494 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 36 MET CE :methyl -169:sc=-0.00248 (180deg=-0.0659) USER MOD Set 1.2: A 41 GLN : amide:sc= -0.685 X(o=-0.69,f=-0.86) USER MOD Single : A 5 THR OG1 : rot -32:sc= 0.111 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 10 SER OG : rot 80:sc= 0.0793 USER MOD Single : A 13 LYS NZ :NH3+ -166:sc=-0.00375 (180deg=-0.249) USER MOD Single : A 17 SER OG : rot 76:sc= 0.245 USER MOD Single : A 21 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.112) USER MOD Single : A 26 CYS SG : rot -16:sc= -0.424! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00372 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 162:sc= -0.047 (180deg=-0.411) USER MOD Single : A 34 THR OG1 : rot 69:sc= 0.109 USER MOD Single : A 38 SER OG : rot 97:sc= 1.2 USER MOD Single : A 42 ASN : amide:sc=-0.00518 X(o=-0.0052,f=-0.062) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -2.73! C(o=-2.7!,f=-3.7!) USER MOD Single : A 51 MET CE :methyl -153:sc= -0.232 (180deg=-1.3!) USER MOD Single : A 53 ASN : amide:sc= -0.518 K(o=-0.52,f=-2.1!) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.142 F(o=-1.5,f=-0.14) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0257 K(o=-0.026,f=-1) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N THR A 5 -14.984 -7.062 -5.858 1.00 0.00 N ATOM 62 CA THR A 5 -15.839 -7.616 -4.806 1.00 0.00 C ATOM 63 C THR A 5 -15.582 -6.934 -3.471 1.00 0.00 C ATOM 64 O THR A 5 -14.569 -6.259 -3.286 1.00 0.00 O ATOM 65 CB THR A 5 -15.573 -9.118 -4.639 1.00 0.00 C ATOM 66 OG1 THR A 5 -14.240 -9.318 -4.189 1.00 0.00 O ATOM 67 CG2 THR A 5 -15.779 -9.835 -5.972 1.00 0.00 C ATOM 0 HA THR A 5 -16.873 -7.446 -5.105 1.00 0.00 H new ATOM 0 HB THR A 5 -16.268 -9.525 -3.905 1.00 0.00 H new ATOM 0 HG1 THR A 5 -13.662 -8.617 -4.556 1.00 0.00 H new ATOM 0 HG21 THR A 5 -15.588 -10.901 -5.845 1.00 0.00 H new ATOM 0 HG22 THR A 5 -16.805 -9.688 -6.310 1.00 0.00 H new ATOM 0 HG23 THR A 5 -15.091 -9.429 -6.714 1.00 0.00 H new ATOM 75 N ASP A 6 -16.495 -7.153 -2.531 1.00 0.00 N ATOM 76 CA ASP A 6 -16.357 -6.597 -1.194 1.00 0.00 C ATOM 77 C ASP A 6 -15.233 -7.309 -0.458 1.00 0.00 C ATOM 78 O ASP A 6 -14.584 -6.741 0.419 1.00 0.00 O ATOM 79 CB ASP A 6 -17.655 -6.783 -0.410 1.00 0.00 C ATOM 80 CG ASP A 6 -18.096 -8.241 -0.470 1.00 0.00 C ATOM 81 OD1 ASP A 6 -17.704 -8.922 -1.404 1.00 0.00 O ATOM 82 OD2 ASP A 6 -18.821 -8.658 0.418 1.00 0.00 O ATOM 0 H ASP A 6 -17.337 -7.711 -2.672 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.133 -5.534 -1.279 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.510 -6.481 0.627 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -18.434 -6.142 -0.823 1.00 0.00 H new ATOM 87 N GLU A 7 -15.031 -8.572 -0.816 1.00 0.00 N ATOM 88 CA GLU A 7 -14.005 -9.384 -0.185 1.00 0.00 C ATOM 89 C GLU A 7 -12.620 -8.805 -0.440 1.00 0.00 C ATOM 90 O GLU A 7 -11.815 -8.666 0.479 1.00 0.00 O ATOM 91 CB GLU A 7 -14.060 -10.806 -0.744 1.00 0.00 C ATOM 92 CG GLU A 7 -15.373 -11.473 -0.334 1.00 0.00 C ATOM 93 CD GLU A 7 -15.457 -12.866 -0.947 1.00 0.00 C ATOM 94 OE1 GLU A 7 -14.504 -13.262 -1.598 1.00 0.00 O ATOM 95 OE2 GLU A 7 -16.471 -13.515 -0.759 1.00 0.00 O ATOM 0 H GLU A 7 -15.565 -9.053 -1.540 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.191 -9.394 0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.977 -10.783 -1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.215 -11.386 -0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.434 -11.539 0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.218 -10.868 -0.665 1.00 0.00 H new ATOM 102 N GLN A 8 -12.351 -8.456 -1.690 1.00 0.00 N ATOM 103 CA GLN A 8 -11.062 -7.881 -2.044 1.00 0.00 C ATOM 104 C GLN A 8 -10.898 -6.523 -1.379 1.00 0.00 C ATOM 105 O GLN A 8 -9.788 -6.111 -1.047 1.00 0.00 O ATOM 106 CB GLN A 8 -10.942 -7.742 -3.565 1.00 0.00 C ATOM 107 CG GLN A 8 -10.818 -9.130 -4.198 1.00 0.00 C ATOM 108 CD GLN A 8 -10.814 -9.017 -5.720 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.842 -7.913 -6.261 1.00 0.00 O ATOM 110 NE2 GLN A 8 -10.780 -10.101 -6.445 1.00 0.00 N ATOM 0 H GLN A 8 -13.001 -8.560 -2.469 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.273 -8.545 -1.692 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.816 -7.226 -3.963 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.071 -7.137 -3.818 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.901 -9.611 -3.859 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.647 -9.760 -3.875 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.757 -11.016 -5.994 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.777 -10.034 -7.463 1.00 0.00 H new ATOM 119 N ILE A 9 -12.018 -5.843 -1.166 1.00 0.00 N ATOM 120 CA ILE A 9 -11.986 -4.538 -0.517 1.00 0.00 C ATOM 121 C ILE A 9 -11.803 -4.703 0.990 1.00 0.00 C ATOM 122 O ILE A 9 -10.867 -4.163 1.574 1.00 0.00 O ATOM 123 CB ILE A 9 -13.277 -3.778 -0.814 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.322 -3.454 -2.310 1.00 0.00 C ATOM 125 CG2 ILE A 9 -13.312 -2.478 -0.004 1.00 0.00 C ATOM 126 CD1 ILE A 9 -14.700 -2.907 -2.681 1.00 0.00 C ATOM 0 H ILE A 9 -12.948 -6.168 -1.429 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.143 -3.968 -0.908 1.00 0.00 H new ATOM 0 HB ILE A 9 -14.137 -4.388 -0.539 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.552 -2.723 -2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.108 -4.350 -2.892 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.235 -1.940 -0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.268 -2.711 1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.458 -1.857 -0.275 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.726 -2.678 -3.746 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.461 -3.652 -2.451 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.897 -1.999 -2.110 1.00 0.00 H new ATOM 138 N SER A 10 -12.710 -5.443 1.620 1.00 0.00 N ATOM 139 CA SER A 10 -12.634 -5.652 3.047 1.00 0.00 C ATOM 140 C SER A 10 -11.286 -6.255 3.423 1.00 0.00 C ATOM 141 O SER A 10 -10.671 -5.839 4.404 1.00 0.00 O ATOM 142 CB SER A 10 -13.763 -6.577 3.482 1.00 0.00 C ATOM 143 OG SER A 10 -15.006 -5.903 3.332 1.00 0.00 O ATOM 0 H SER A 10 -13.498 -5.902 1.162 1.00 0.00 H new ATOM 0 HA SER A 10 -12.735 -4.693 3.556 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.755 -7.487 2.882 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.622 -6.878 4.520 1.00 0.00 H new ATOM 0 HG SER A 10 -15.285 -5.936 2.393 1.00 0.00 H new ATOM 149 N GLU A 11 -10.813 -7.220 2.637 1.00 0.00 N ATOM 150 CA GLU A 11 -9.523 -7.836 2.913 1.00 0.00 C ATOM 151 C GLU A 11 -8.409 -6.814 2.729 1.00 0.00 C ATOM 152 O GLU A 11 -7.464 -6.762 3.517 1.00 0.00 O ATOM 153 CB GLU A 11 -9.294 -9.019 1.978 1.00 0.00 C ATOM 154 CG GLU A 11 -10.213 -10.181 2.371 1.00 0.00 C ATOM 155 CD GLU A 11 -9.811 -10.736 3.733 1.00 0.00 C ATOM 156 OE1 GLU A 11 -8.649 -11.075 3.894 1.00 0.00 O ATOM 157 OE2 GLU A 11 -10.670 -10.816 4.594 1.00 0.00 O ATOM 0 H GLU A 11 -11.297 -7.586 1.817 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.518 -8.191 3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.489 -8.722 0.948 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.252 -9.336 2.027 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.248 -9.841 2.400 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.157 -10.968 1.619 1.00 0.00 H new ATOM 164 N PHE A 12 -8.541 -5.987 1.697 1.00 0.00 N ATOM 165 CA PHE A 12 -7.561 -4.942 1.430 1.00 0.00 C ATOM 166 C PHE A 12 -7.522 -3.976 2.617 1.00 0.00 C ATOM 167 O PHE A 12 -6.453 -3.595 3.095 1.00 0.00 O ATOM 168 CB PHE A 12 -7.983 -4.188 0.157 1.00 0.00 C ATOM 169 CG PHE A 12 -7.490 -4.871 -1.109 1.00 0.00 C ATOM 170 CD1 PHE A 12 -7.172 -6.243 -1.147 1.00 0.00 C ATOM 171 CD2 PHE A 12 -7.360 -4.104 -2.270 1.00 0.00 C ATOM 172 CE1 PHE A 12 -6.718 -6.819 -2.343 1.00 0.00 C ATOM 173 CE2 PHE A 12 -6.907 -4.685 -3.455 1.00 0.00 C ATOM 174 CZ PHE A 12 -6.585 -6.031 -3.493 1.00 0.00 C ATOM 0 H PHE A 12 -9.315 -6.020 1.034 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.571 -5.376 1.289 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -9.070 -4.112 0.126 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.593 -3.171 0.194 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.277 -6.849 -0.259 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.612 -3.054 -2.250 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.471 -7.870 -2.377 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.807 -4.083 -4.346 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.230 -6.474 -4.412 1.00 0.00 H new ATOM 184 N LYS A 13 -8.709 -3.572 3.063 1.00 0.00 N ATOM 185 CA LYS A 13 -8.845 -2.632 4.171 1.00 0.00 C ATOM 186 C LYS A 13 -8.182 -3.166 5.434 1.00 0.00 C ATOM 187 O LYS A 13 -7.418 -2.457 6.090 1.00 0.00 O ATOM 188 CB LYS A 13 -10.336 -2.390 4.418 1.00 0.00 C ATOM 189 CG LYS A 13 -10.555 -1.083 5.178 1.00 0.00 C ATOM 190 CD LYS A 13 -12.058 -0.823 5.262 1.00 0.00 C ATOM 191 CE LYS A 13 -12.308 0.554 5.868 1.00 0.00 C ATOM 192 NZ LYS A 13 -11.829 0.574 7.279 1.00 0.00 N ATOM 0 H LYS A 13 -9.597 -3.884 2.670 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.347 -1.697 3.913 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.866 -2.356 3.466 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.755 -3.221 4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.125 -1.148 6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.055 -0.259 4.669 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.503 -0.880 4.269 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.536 -1.591 5.870 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.791 1.317 5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.371 0.791 5.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.206 1.415 7.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.157 -0.283 7.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.790 0.604 7.292 1.00 0.00 H new ATOM 206 N GLU A 14 -8.457 -4.421 5.762 1.00 0.00 N ATOM 207 CA GLU A 14 -7.854 -5.022 6.941 1.00 0.00 C ATOM 208 C GLU A 14 -6.345 -5.016 6.784 1.00 0.00 C ATOM 209 O GLU A 14 -5.612 -4.736 7.727 1.00 0.00 O ATOM 210 CB GLU A 14 -8.348 -6.458 7.119 1.00 0.00 C ATOM 211 CG GLU A 14 -9.796 -6.452 7.609 1.00 0.00 C ATOM 212 CD GLU A 14 -9.862 -5.934 9.043 1.00 0.00 C ATOM 213 OE1 GLU A 14 -8.882 -6.085 9.755 1.00 0.00 O ATOM 214 OE2 GLU A 14 -10.893 -5.392 9.409 1.00 0.00 O ATOM 0 H GLU A 14 -9.083 -5.033 5.238 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.138 -4.446 7.822 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.277 -6.996 6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.715 -6.984 7.834 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.406 -5.824 6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.209 -7.459 7.559 1.00 0.00 H new ATOM 221 N ALA A 15 -5.895 -5.322 5.575 1.00 0.00 N ATOM 222 CA ALA A 15 -4.470 -5.349 5.285 1.00 0.00 C ATOM 223 C ALA A 15 -3.840 -3.990 5.563 1.00 0.00 C ATOM 224 O ALA A 15 -2.793 -3.895 6.186 1.00 0.00 O ATOM 225 CB ALA A 15 -4.256 -5.712 3.810 1.00 0.00 C ATOM 0 H ALA A 15 -6.494 -5.554 4.783 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.998 -6.094 5.926 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.188 -5.732 3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.686 -6.694 3.611 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.741 -4.968 3.178 1.00 0.00 H new ATOM 231 N PHE A 16 -4.460 -2.942 5.057 1.00 0.00 N ATOM 232 CA PHE A 16 -3.932 -1.602 5.224 1.00 0.00 C ATOM 233 C PHE A 16 -3.981 -1.114 6.676 1.00 0.00 C ATOM 234 O PHE A 16 -2.990 -0.591 7.185 1.00 0.00 O ATOM 235 CB PHE A 16 -4.715 -0.672 4.323 1.00 0.00 C ATOM 236 CG PHE A 16 -4.246 0.744 4.511 1.00 0.00 C ATOM 237 CD1 PHE A 16 -4.729 1.503 5.582 1.00 0.00 C ATOM 238 CD2 PHE A 16 -3.337 1.303 3.606 1.00 0.00 C ATOM 239 CE1 PHE A 16 -4.302 2.824 5.750 1.00 0.00 C ATOM 240 CE2 PHE A 16 -2.915 2.626 3.771 1.00 0.00 C ATOM 241 CZ PHE A 16 -3.394 3.388 4.843 1.00 0.00 C ATOM 0 H PHE A 16 -5.330 -2.992 4.527 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.877 -1.612 4.951 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.589 -0.970 3.282 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.779 -0.744 4.549 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.431 1.069 6.279 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.962 0.714 2.782 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.672 3.410 6.579 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.218 3.061 3.070 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.065 4.409 4.971 1.00 0.00 H new ATOM 251 N SER A 17 -5.116 -1.285 7.353 1.00 0.00 N ATOM 252 CA SER A 17 -5.209 -0.846 8.746 1.00 0.00 C ATOM 253 C SER A 17 -4.165 -1.583 9.558 1.00 0.00 C ATOM 254 O SER A 17 -3.545 -1.030 10.466 1.00 0.00 O ATOM 255 CB SER A 17 -6.592 -1.133 9.329 1.00 0.00 C ATOM 256 OG SER A 17 -7.588 -0.549 8.501 1.00 0.00 O ATOM 0 H SER A 17 -5.962 -1.712 6.974 1.00 0.00 H new ATOM 0 HA SER A 17 -5.041 0.230 8.784 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.751 -2.209 9.403 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.663 -0.730 10.339 1.00 0.00 H new ATOM 0 HG SER A 17 -7.702 -1.093 7.694 1.00 0.00 H new ATOM 262 N LEU A 18 -3.971 -2.840 9.192 1.00 0.00 N ATOM 263 CA LEU A 18 -2.992 -3.703 9.830 1.00 0.00 C ATOM 264 C LEU A 18 -1.590 -3.122 9.619 1.00 0.00 C ATOM 265 O LEU A 18 -0.756 -3.132 10.524 1.00 0.00 O ATOM 266 CB LEU A 18 -3.139 -5.090 9.184 1.00 0.00 C ATOM 267 CG LEU A 18 -2.133 -6.102 9.730 1.00 0.00 C ATOM 268 CD1 LEU A 18 -2.475 -6.460 11.179 1.00 0.00 C ATOM 269 CD2 LEU A 18 -2.217 -7.361 8.862 1.00 0.00 C ATOM 0 H LEU A 18 -4.491 -3.292 8.440 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.149 -3.780 10.906 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.150 -5.460 9.354 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.009 -5.000 8.105 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.128 -5.680 9.706 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.751 -7.182 11.556 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.444 -5.560 11.793 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.474 -6.893 11.221 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.508 -8.104 9.229 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.227 -7.769 8.909 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.976 -7.108 7.830 1.00 0.00 H new ATOM 281 N PHE A 19 -1.343 -2.627 8.404 1.00 0.00 N ATOM 282 CA PHE A 19 -0.044 -2.046 8.056 1.00 0.00 C ATOM 283 C PHE A 19 0.221 -0.787 8.880 1.00 0.00 C ATOM 284 O PHE A 19 1.372 -0.418 9.113 1.00 0.00 O ATOM 285 CB PHE A 19 0.012 -1.698 6.561 1.00 0.00 C ATOM 286 CG PHE A 19 0.118 -2.952 5.691 1.00 0.00 C ATOM 287 CD1 PHE A 19 -0.220 -4.238 6.174 1.00 0.00 C ATOM 288 CD2 PHE A 19 0.585 -2.815 4.375 1.00 0.00 C ATOM 289 CE1 PHE A 19 -0.095 -5.355 5.339 1.00 0.00 C ATOM 290 CE2 PHE A 19 0.711 -3.937 3.549 1.00 0.00 C ATOM 291 CZ PHE A 19 0.369 -5.207 4.031 1.00 0.00 C ATOM 0 H PHE A 19 -2.025 -2.617 7.645 1.00 0.00 H new ATOM 0 HA PHE A 19 0.723 -2.787 8.279 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.881 -1.138 6.284 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.867 -1.050 6.370 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.575 -4.358 7.187 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.849 -1.838 3.998 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.359 -6.335 5.709 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.073 -3.824 2.538 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.464 -6.071 3.391 1.00 0.00 H new ATOM 301 N ASP A 20 -0.850 -0.127 9.307 1.00 0.00 N ATOM 302 CA ASP A 20 -0.719 1.095 10.092 1.00 0.00 C ATOM 303 C ASP A 20 -0.490 0.780 11.572 1.00 0.00 C ATOM 304 O ASP A 20 -1.443 0.610 12.335 1.00 0.00 O ATOM 305 CB ASP A 20 -1.987 1.939 9.940 1.00 0.00 C ATOM 306 CG ASP A 20 -1.742 3.346 10.473 1.00 0.00 C ATOM 307 OD1 ASP A 20 -0.690 3.565 11.049 1.00 0.00 O ATOM 308 OD2 ASP A 20 -2.612 4.186 10.298 1.00 0.00 O ATOM 0 H ASP A 20 -1.811 -0.415 9.125 1.00 0.00 H new ATOM 0 HA ASP A 20 0.144 1.648 9.722 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.280 1.984 8.891 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.811 1.474 10.482 1.00 0.00 H new ATOM 313 N LYS A 21 0.779 0.704 11.971 1.00 0.00 N ATOM 314 CA LYS A 21 1.121 0.411 13.362 1.00 0.00 C ATOM 315 C LYS A 21 0.494 1.433 14.304 1.00 0.00 C ATOM 316 O LYS A 21 0.116 1.099 15.428 1.00 0.00 O ATOM 317 CB LYS A 21 2.640 0.412 13.565 1.00 0.00 C ATOM 318 CG LYS A 21 3.234 -0.868 12.980 1.00 0.00 C ATOM 319 CD LYS A 21 4.709 -0.938 13.340 1.00 0.00 C ATOM 320 CE LYS A 21 5.265 -2.289 12.906 1.00 0.00 C ATOM 321 NZ LYS A 21 4.843 -3.341 13.877 1.00 0.00 N ATOM 0 H LYS A 21 1.581 0.840 11.356 1.00 0.00 H new ATOM 0 HA LYS A 21 0.728 -0.579 13.591 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.081 1.284 13.082 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.875 0.482 14.627 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.709 -1.740 13.371 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.110 -0.880 11.897 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.254 -0.132 12.849 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.841 -0.805 14.414 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.906 -2.537 11.907 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.353 -2.245 12.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.405 -4.202 13.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.994 -2.999 14.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.835 -3.556 13.739 1.00 0.00 H new ATOM 335 N ASP A 22 0.389 2.683 13.849 1.00 0.00 N ATOM 336 CA ASP A 22 -0.190 3.750 14.669 1.00 0.00 C ATOM 337 C ASP A 22 -1.697 3.884 14.434 1.00 0.00 C ATOM 338 O ASP A 22 -2.416 4.403 15.289 1.00 0.00 O ATOM 339 CB ASP A 22 0.492 5.077 14.335 1.00 0.00 C ATOM 340 CG ASP A 22 2.001 4.928 14.480 1.00 0.00 C ATOM 341 OD1 ASP A 22 2.429 4.382 15.484 1.00 0.00 O ATOM 342 OD2 ASP A 22 2.709 5.359 13.584 1.00 0.00 O ATOM 0 H ASP A 22 0.695 2.981 12.923 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.029 3.495 15.716 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.243 5.380 13.318 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.129 5.861 14.999 1.00 0.00 H new ATOM 347 N GLY A 23 -2.170 3.421 13.281 1.00 0.00 N ATOM 348 CA GLY A 23 -3.594 3.511 12.971 1.00 0.00 C ATOM 349 C GLY A 23 -4.029 4.965 12.802 1.00 0.00 C ATOM 350 O GLY A 23 -5.123 5.348 13.217 1.00 0.00 O ATOM 0 H GLY A 23 -1.599 2.986 12.556 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.806 2.956 12.057 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.173 3.045 13.768 1.00 0.00 H new ATOM 354 N ASP A 24 -3.159 5.774 12.197 1.00 0.00 N ATOM 355 CA ASP A 24 -3.451 7.194 11.977 1.00 0.00 C ATOM 356 C ASP A 24 -3.961 7.438 10.558 1.00 0.00 C ATOM 357 O ASP A 24 -4.020 8.580 10.102 1.00 0.00 O ATOM 358 CB ASP A 24 -2.192 8.030 12.217 1.00 0.00 C ATOM 359 CG ASP A 24 -1.044 7.514 11.356 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.218 6.483 10.726 1.00 0.00 O ATOM 361 OD2 ASP A 24 -0.006 8.155 11.343 1.00 0.00 O ATOM 0 H ASP A 24 -2.248 5.473 11.851 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.229 7.491 12.680 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.391 9.076 11.982 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.914 7.987 13.270 1.00 0.00 H new ATOM 366 N GLY A 25 -4.333 6.368 9.865 1.00 0.00 N ATOM 367 CA GLY A 25 -4.842 6.498 8.504 1.00 0.00 C ATOM 368 C GLY A 25 -3.716 6.776 7.521 1.00 0.00 C ATOM 369 O GLY A 25 -3.956 7.236 6.404 1.00 0.00 O ATOM 0 H GLY A 25 -4.293 5.412 10.217 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.361 5.583 8.218 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.573 7.305 8.462 1.00 0.00 H new ATOM 373 N CYS A 26 -2.484 6.498 7.935 1.00 0.00 N ATOM 374 CA CYS A 26 -1.331 6.726 7.067 1.00 0.00 C ATOM 375 C CYS A 26 -0.238 5.702 7.328 1.00 0.00 C ATOM 376 O CYS A 26 0.076 5.394 8.479 1.00 0.00 O ATOM 377 CB CYS A 26 -0.763 8.125 7.303 1.00 0.00 C ATOM 378 SG CYS A 26 -2.089 9.349 7.175 1.00 0.00 S ATOM 0 H CYS A 26 -2.258 6.119 8.855 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.669 6.630 6.035 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.299 8.179 8.288 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.016 8.340 6.572 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.115 8.816 6.581 1.00 0.00 H new ATOM 384 N ILE A 27 0.375 5.213 6.250 1.00 0.00 N ATOM 385 CA ILE A 27 1.479 4.261 6.361 1.00 0.00 C ATOM 386 C ILE A 27 2.746 4.954 5.889 1.00 0.00 C ATOM 387 O ILE A 27 2.798 5.455 4.761 1.00 0.00 O ATOM 388 CB ILE A 27 1.253 3.039 5.462 1.00 0.00 C ATOM 389 CG1 ILE A 27 -0.088 2.392 5.799 1.00 0.00 C ATOM 390 CG2 ILE A 27 2.373 2.008 5.682 1.00 0.00 C ATOM 391 CD1 ILE A 27 -0.380 1.284 4.785 1.00 0.00 C ATOM 0 H ILE A 27 0.126 5.460 5.292 1.00 0.00 H new ATOM 0 HA ILE A 27 1.552 3.930 7.397 1.00 0.00 H new ATOM 0 HB ILE A 27 1.256 3.365 4.422 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.064 1.981 6.808 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.881 3.139 5.778 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.204 1.144 5.039 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.335 2.458 5.438 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.375 1.690 6.725 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.337 0.818 5.021 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.421 1.710 3.782 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.409 0.534 4.829 1.00 0.00 H new ATOM 403 N THR A 28 3.775 4.963 6.728 1.00 0.00 N ATOM 404 CA THR A 28 5.041 5.573 6.344 1.00 0.00 C ATOM 405 C THR A 28 5.899 4.520 5.655 1.00 0.00 C ATOM 406 O THR A 28 5.634 3.326 5.772 1.00 0.00 O ATOM 407 CB THR A 28 5.767 6.139 7.568 1.00 0.00 C ATOM 408 OG1 THR A 28 6.155 5.078 8.426 1.00 0.00 O ATOM 409 CG2 THR A 28 4.831 7.095 8.311 1.00 0.00 C ATOM 0 H THR A 28 3.759 4.561 7.665 1.00 0.00 H new ATOM 0 HA THR A 28 4.853 6.401 5.661 1.00 0.00 H new ATOM 0 HB THR A 28 6.658 6.680 7.249 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.621 5.443 9.207 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.343 7.501 9.183 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.542 7.910 7.648 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.940 6.556 8.632 1.00 0.00 H new ATOM 417 N THR A 29 6.911 4.962 4.924 1.00 0.00 N ATOM 418 CA THR A 29 7.776 4.033 4.203 1.00 0.00 C ATOM 419 C THR A 29 8.403 3.040 5.176 1.00 0.00 C ATOM 420 O THR A 29 8.684 1.898 4.816 1.00 0.00 O ATOM 421 CB THR A 29 8.877 4.802 3.428 1.00 0.00 C ATOM 422 OG1 THR A 29 10.152 4.252 3.725 1.00 0.00 O ATOM 423 CG2 THR A 29 8.865 6.285 3.817 1.00 0.00 C ATOM 0 H THR A 29 7.154 5.946 4.813 1.00 0.00 H new ATOM 0 HA THR A 29 7.172 3.483 3.481 1.00 0.00 H new ATOM 0 HB THR A 29 8.677 4.709 2.360 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.843 4.741 3.231 1.00 0.00 H new ATOM 0 HG21 THR A 29 9.643 6.812 3.265 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.893 6.717 3.576 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.050 6.382 4.887 1.00 0.00 H new ATOM 431 N LYS A 30 8.607 3.484 6.408 1.00 0.00 N ATOM 432 CA LYS A 30 9.183 2.624 7.434 1.00 0.00 C ATOM 433 C LYS A 30 8.221 1.491 7.765 1.00 0.00 C ATOM 434 O LYS A 30 8.608 0.324 7.816 1.00 0.00 O ATOM 435 CB LYS A 30 9.462 3.440 8.690 1.00 0.00 C ATOM 436 CG LYS A 30 10.184 2.573 9.722 1.00 0.00 C ATOM 437 CD LYS A 30 10.520 3.431 10.944 1.00 0.00 C ATOM 438 CE LYS A 30 11.217 2.578 12.005 1.00 0.00 C ATOM 439 NZ LYS A 30 12.518 2.079 11.476 1.00 0.00 N ATOM 0 H LYS A 30 8.384 4.429 6.721 1.00 0.00 H new ATOM 0 HA LYS A 30 10.116 2.202 7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.071 4.309 8.442 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.527 3.814 9.107 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.555 1.732 10.014 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.095 2.156 9.293 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.164 4.260 10.651 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.609 3.865 11.355 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.382 3.167 12.907 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.581 1.738 12.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.118 1.769 12.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.348 1.277 10.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.997 2.842 10.956 1.00 0.00 H new ATOM 453 N GLU A 31 6.954 1.849 7.967 1.00 0.00 N ATOM 454 CA GLU A 31 5.924 0.863 8.266 1.00 0.00 C ATOM 455 C GLU A 31 5.699 -0.009 7.049 1.00 0.00 C ATOM 456 O GLU A 31 5.672 -1.236 7.141 1.00 0.00 O ATOM 457 CB GLU A 31 4.623 1.571 8.633 1.00 0.00 C ATOM 458 CG GLU A 31 4.794 2.276 9.976 1.00 0.00 C ATOM 459 CD GLU A 31 3.551 3.097 10.293 1.00 0.00 C ATOM 460 OE1 GLU A 31 2.618 3.048 9.510 1.00 0.00 O ATOM 461 OE2 GLU A 31 3.552 3.767 11.314 1.00 0.00 O ATOM 0 H GLU A 31 6.620 2.812 7.929 1.00 0.00 H new ATOM 0 HA GLU A 31 6.245 0.246 9.105 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.358 2.294 7.861 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.807 0.851 8.689 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.966 1.541 10.763 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.670 2.923 9.948 1.00 0.00 H new ATOM 468 N LEU A 32 5.577 0.642 5.902 1.00 0.00 N ATOM 469 CA LEU A 32 5.401 -0.070 4.655 1.00 0.00 C ATOM 470 C LEU A 32 6.642 -0.924 4.429 1.00 0.00 C ATOM 471 O LEU A 32 6.550 -2.078 4.009 1.00 0.00 O ATOM 472 CB LEU A 32 5.216 0.939 3.510 1.00 0.00 C ATOM 473 CG LEU A 32 4.598 0.265 2.259 1.00 0.00 C ATOM 474 CD1 LEU A 32 3.815 1.303 1.447 1.00 0.00 C ATOM 475 CD2 LEU A 32 5.705 -0.308 1.368 1.00 0.00 C ATOM 0 H LEU A 32 5.597 1.658 5.813 1.00 0.00 H new ATOM 0 HA LEU A 32 4.517 -0.707 4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.573 1.754 3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.179 1.378 3.250 1.00 0.00 H new ATOM 0 HG LEU A 32 3.936 -0.536 2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.382 0.826 0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.019 1.721 2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.487 2.101 1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.260 -0.779 0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.368 0.496 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.276 -1.049 1.928 1.00 0.00 H new ATOM 487 N GLY A 33 7.800 -0.339 4.733 1.00 0.00 N ATOM 488 CA GLY A 33 9.061 -1.047 4.592 1.00 0.00 C ATOM 489 C GLY A 33 9.108 -2.219 5.556 1.00 0.00 C ATOM 490 O GLY A 33 9.516 -3.314 5.186 1.00 0.00 O ATOM 0 H GLY A 33 7.886 0.618 5.076 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.175 -1.403 3.568 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.892 -0.370 4.789 1.00 0.00 H new ATOM 494 N THR A 34 8.662 -1.995 6.795 1.00 0.00 N ATOM 495 CA THR A 34 8.643 -3.066 7.784 1.00 0.00 C ATOM 496 C THR A 34 7.966 -4.271 7.157 1.00 0.00 C ATOM 497 O THR A 34 8.467 -5.396 7.202 1.00 0.00 O ATOM 498 CB THR A 34 7.832 -2.619 9.011 1.00 0.00 C ATOM 499 OG1 THR A 34 8.274 -1.338 9.437 1.00 0.00 O ATOM 500 CG2 THR A 34 7.999 -3.622 10.153 1.00 0.00 C ATOM 0 H THR A 34 8.315 -1.096 7.130 1.00 0.00 H new ATOM 0 HA THR A 34 9.659 -3.311 8.094 1.00 0.00 H new ATOM 0 HB THR A 34 6.779 -2.569 8.735 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.015 -0.665 8.773 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.419 -3.292 11.015 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.646 -4.602 9.831 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.052 -3.688 10.428 1.00 0.00 H new ATOM 508 N VAL A 35 6.815 -3.991 6.568 1.00 0.00 N ATOM 509 CA VAL A 35 6.019 -5.005 5.908 1.00 0.00 C ATOM 510 C VAL A 35 6.757 -5.592 4.704 1.00 0.00 C ATOM 511 O VAL A 35 6.887 -6.810 4.582 1.00 0.00 O ATOM 512 CB VAL A 35 4.691 -4.374 5.483 1.00 0.00 C ATOM 513 CG1 VAL A 35 3.906 -5.348 4.613 1.00 0.00 C ATOM 514 CG2 VAL A 35 3.895 -4.037 6.745 1.00 0.00 C ATOM 0 H VAL A 35 6.409 -3.056 6.536 1.00 0.00 H new ATOM 0 HA VAL A 35 5.833 -5.829 6.597 1.00 0.00 H new ATOM 0 HB VAL A 35 4.874 -3.469 4.904 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.962 -4.891 4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.488 -5.592 3.724 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.706 -6.259 5.177 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.943 -3.585 6.465 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.711 -4.949 7.313 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.463 -3.336 7.357 1.00 0.00 H new ATOM 524 N MET A 36 7.257 -4.740 3.818 1.00 0.00 N ATOM 525 CA MET A 36 7.980 -5.234 2.650 1.00 0.00 C ATOM 526 C MET A 36 9.246 -5.954 3.098 1.00 0.00 C ATOM 527 O MET A 36 9.590 -7.020 2.593 1.00 0.00 O ATOM 528 CB MET A 36 8.334 -4.059 1.734 1.00 0.00 C ATOM 529 CG MET A 36 7.087 -3.604 0.964 1.00 0.00 C ATOM 530 SD MET A 36 6.609 -4.866 -0.248 1.00 0.00 S ATOM 531 CE MET A 36 7.770 -4.401 -1.559 1.00 0.00 C ATOM 0 H MET A 36 7.179 -3.725 3.881 1.00 0.00 H new ATOM 0 HA MET A 36 7.352 -5.935 2.101 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.729 -3.232 2.324 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.116 -4.354 1.035 1.00 0.00 H new ATOM 0 HG2 MET A 36 6.266 -3.426 1.658 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.287 -2.660 0.458 1.00 0.00 H new ATOM 0 HE1 MET A 36 7.512 -4.929 -2.477 1.00 0.00 H new ATOM 0 HE2 MET A 36 7.714 -3.326 -1.731 1.00 0.00 H new ATOM 0 HE3 MET A 36 8.783 -4.668 -1.259 1.00 0.00 H new ATOM 541 N ARG A 37 9.919 -5.371 4.077 1.00 0.00 N ATOM 542 CA ARG A 37 11.137 -5.952 4.629 1.00 0.00 C ATOM 543 C ARG A 37 10.874 -7.362 5.121 1.00 0.00 C ATOM 544 O ARG A 37 11.650 -8.286 4.881 1.00 0.00 O ATOM 545 CB ARG A 37 11.555 -5.103 5.820 1.00 0.00 C ATOM 546 CG ARG A 37 12.865 -5.609 6.411 1.00 0.00 C ATOM 547 CD ARG A 37 13.304 -4.652 7.527 1.00 0.00 C ATOM 548 NE ARG A 37 13.644 -3.345 6.969 1.00 0.00 N ATOM 549 CZ ARG A 37 13.788 -2.270 7.744 1.00 0.00 C ATOM 550 NH1 ARG A 37 13.640 -2.369 9.040 1.00 0.00 N ATOM 551 NH2 ARG A 37 14.079 -1.117 7.210 1.00 0.00 N ATOM 0 H ARG A 37 9.642 -4.490 4.510 1.00 0.00 H new ATOM 0 HA ARG A 37 11.910 -5.980 3.861 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.668 -4.064 5.510 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.775 -5.126 6.581 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.737 -6.617 6.806 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.631 -5.665 5.638 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.504 -4.545 8.260 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.165 -5.066 8.053 1.00 0.00 H new ATOM 0 HE ARG A 37 13.774 -3.253 5.962 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.414 -3.271 9.460 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.751 -1.545 9.630 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.196 -1.038 6.200 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.189 -0.294 7.802 1.00 0.00 H new ATOM 565 N SER A 38 9.775 -7.495 5.832 1.00 0.00 N ATOM 566 CA SER A 38 9.383 -8.777 6.399 1.00 0.00 C ATOM 567 C SER A 38 8.900 -9.755 5.320 1.00 0.00 C ATOM 568 O SER A 38 8.845 -10.963 5.550 1.00 0.00 O ATOM 569 CB SER A 38 8.265 -8.559 7.418 1.00 0.00 C ATOM 570 OG SER A 38 8.687 -7.603 8.381 1.00 0.00 O ATOM 0 H SER A 38 9.131 -6.730 6.034 1.00 0.00 H new ATOM 0 HA SER A 38 10.259 -9.212 6.879 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.362 -8.212 6.916 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.015 -9.500 7.908 1.00 0.00 H new ATOM 0 HG SER A 38 8.344 -6.718 8.136 1.00 0.00 H new ATOM 576 N LEU A 39 8.526 -9.227 4.156 1.00 0.00 N ATOM 577 CA LEU A 39 8.020 -10.064 3.058 1.00 0.00 C ATOM 578 C LEU A 39 9.161 -10.590 2.174 1.00 0.00 C ATOM 579 O LEU A 39 8.981 -10.815 0.976 1.00 0.00 O ATOM 580 CB LEU A 39 7.004 -9.248 2.220 1.00 0.00 C ATOM 581 CG LEU A 39 5.545 -9.518 2.663 1.00 0.00 C ATOM 582 CD1 LEU A 39 5.051 -10.841 2.055 1.00 0.00 C ATOM 583 CD2 LEU A 39 5.429 -9.575 4.206 1.00 0.00 C ATOM 0 H LEU A 39 8.562 -8.230 3.945 1.00 0.00 H new ATOM 0 HA LEU A 39 7.522 -10.935 3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.223 -8.185 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.116 -9.501 1.166 1.00 0.00 H new ATOM 0 HG LEU A 39 4.925 -8.696 2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.024 -11.025 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.091 -10.779 0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.687 -11.658 2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.393 -9.766 4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.062 -10.375 4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.750 -8.624 4.630 1.00 0.00 H new ATOM 595 N GLY A 40 10.326 -10.817 2.772 1.00 0.00 N ATOM 596 CA GLY A 40 11.461 -11.349 2.022 1.00 0.00 C ATOM 597 C GLY A 40 11.879 -10.413 0.891 1.00 0.00 C ATOM 598 O GLY A 40 12.176 -10.861 -0.217 1.00 0.00 O ATOM 0 H GLY A 40 10.509 -10.644 3.760 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.303 -11.503 2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.200 -12.324 1.610 1.00 0.00 H new ATOM 602 N GLN A 41 11.914 -9.115 1.181 1.00 0.00 N ATOM 603 CA GLN A 41 12.314 -8.114 0.188 1.00 0.00 C ATOM 604 C GLN A 41 13.245 -7.099 0.843 1.00 0.00 C ATOM 605 O GLN A 41 13.146 -6.847 2.043 1.00 0.00 O ATOM 606 CB GLN A 41 11.076 -7.399 -0.360 1.00 0.00 C ATOM 607 CG GLN A 41 10.221 -8.386 -1.158 1.00 0.00 C ATOM 608 CD GLN A 41 8.924 -7.711 -1.598 1.00 0.00 C ATOM 609 OE1 GLN A 41 8.086 -7.374 -0.762 1.00 0.00 O ATOM 610 NE2 GLN A 41 8.707 -7.491 -2.866 1.00 0.00 N ATOM 0 H GLN A 41 11.671 -8.729 2.093 1.00 0.00 H new ATOM 0 HA GLN A 41 12.831 -8.608 -0.635 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.494 -6.979 0.460 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.377 -6.567 -0.996 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.773 -8.737 -2.030 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.997 -9.262 -0.549 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.402 -7.771 -3.558 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.842 -7.039 -3.165 1.00 0.00 H new ATOM 619 N ASN A 42 14.162 -6.528 0.060 1.00 0.00 N ATOM 620 CA ASN A 42 15.120 -5.551 0.594 1.00 0.00 C ATOM 621 C ASN A 42 15.147 -4.283 -0.254 1.00 0.00 C ATOM 622 O ASN A 42 16.126 -4.021 -0.951 1.00 0.00 O ATOM 623 CB ASN A 42 16.520 -6.164 0.612 1.00 0.00 C ATOM 624 CG ASN A 42 16.531 -7.426 1.465 1.00 0.00 C ATOM 625 OD1 ASN A 42 16.087 -7.406 2.614 1.00 0.00 O ATOM 626 ND2 ASN A 42 17.017 -8.531 0.968 1.00 0.00 N ATOM 0 H ASN A 42 14.264 -6.721 -0.936 1.00 0.00 H new ATOM 0 HA ASN A 42 14.807 -5.289 1.605 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.834 -6.401 -0.405 1.00 0.00 H new ATOM 0 HB3 ASN A 42 17.236 -5.443 1.007 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.030 -9.381 1.531 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.384 -8.544 0.016 1.00 0.00 H new ATOM 633 N PRO A 43 14.106 -3.490 -0.210 1.00 0.00 N ATOM 634 CA PRO A 43 14.037 -2.226 -0.997 1.00 0.00 C ATOM 635 C PRO A 43 14.875 -1.127 -0.357 1.00 0.00 C ATOM 636 O PRO A 43 14.947 -1.031 0.868 1.00 0.00 O ATOM 637 CB PRO A 43 12.548 -1.870 -0.954 1.00 0.00 C ATOM 638 CG PRO A 43 12.082 -2.405 0.360 1.00 0.00 C ATOM 639 CD PRO A 43 12.881 -3.693 0.593 1.00 0.00 C ATOM 0 HA PRO A 43 14.426 -2.336 -2.009 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.394 -0.793 -1.023 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.006 -2.324 -1.784 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.258 -1.686 1.160 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.011 -2.607 0.343 1.00 0.00 H new ATOM 0 HD2 PRO A 43 13.112 -3.836 1.648 1.00 0.00 H new ATOM 0 HD3 PRO A 43 12.328 -4.573 0.265 1.00 0.00 H new ATOM 647 N THR A 44 15.478 -0.275 -1.177 1.00 0.00 N ATOM 648 CA THR A 44 16.261 0.832 -0.645 1.00 0.00 C ATOM 649 C THR A 44 15.310 1.995 -0.391 1.00 0.00 C ATOM 650 O THR A 44 14.215 2.032 -0.941 1.00 0.00 O ATOM 651 CB THR A 44 17.359 1.246 -1.628 1.00 0.00 C ATOM 652 OG1 THR A 44 17.967 0.082 -2.174 1.00 0.00 O ATOM 653 CG2 THR A 44 18.422 2.073 -0.898 1.00 0.00 C ATOM 0 H THR A 44 15.442 -0.327 -2.195 1.00 0.00 H new ATOM 0 HA THR A 44 16.751 0.530 0.281 1.00 0.00 H new ATOM 0 HB THR A 44 16.920 1.843 -2.427 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.669 0.345 -2.805 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.202 2.366 -1.601 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.961 2.966 -0.475 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.860 1.477 -0.098 1.00 0.00 H new ATOM 661 N GLU A 45 15.725 2.926 0.448 1.00 0.00 N ATOM 662 CA GLU A 45 14.878 4.071 0.783 1.00 0.00 C ATOM 663 C GLU A 45 14.527 4.888 -0.454 1.00 0.00 C ATOM 664 O GLU A 45 13.429 5.435 -0.543 1.00 0.00 O ATOM 665 CB GLU A 45 15.578 4.953 1.829 1.00 0.00 C ATOM 666 CG GLU A 45 17.085 4.892 1.613 1.00 0.00 C ATOM 667 CD GLU A 45 17.771 6.001 2.402 1.00 0.00 C ATOM 668 OE1 GLU A 45 17.289 7.121 2.353 1.00 0.00 O ATOM 669 OE2 GLU A 45 18.769 5.715 3.041 1.00 0.00 O ATOM 0 H GLU A 45 16.634 2.919 0.910 1.00 0.00 H new ATOM 0 HA GLU A 45 13.946 3.691 1.201 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.229 5.982 1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.329 4.612 2.834 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.467 3.921 1.928 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.313 4.995 0.552 1.00 0.00 H new ATOM 676 N ALA A 46 15.434 4.959 -1.414 1.00 0.00 N ATOM 677 CA ALA A 46 15.148 5.709 -2.629 1.00 0.00 C ATOM 678 C ALA A 46 13.914 5.127 -3.296 1.00 0.00 C ATOM 679 O ALA A 46 13.006 5.849 -3.705 1.00 0.00 O ATOM 680 CB ALA A 46 16.333 5.621 -3.592 1.00 0.00 C ATOM 0 H ALA A 46 16.354 4.519 -1.381 1.00 0.00 H new ATOM 0 HA ALA A 46 14.975 6.754 -2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.109 6.185 -4.497 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.221 6.037 -3.116 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.515 4.578 -3.850 1.00 0.00 H new ATOM 686 N GLU A 47 13.905 3.811 -3.406 1.00 0.00 N ATOM 687 CA GLU A 47 12.804 3.103 -4.031 1.00 0.00 C ATOM 688 C GLU A 47 11.498 3.276 -3.246 1.00 0.00 C ATOM 689 O GLU A 47 10.439 3.478 -3.838 1.00 0.00 O ATOM 690 CB GLU A 47 13.178 1.619 -4.114 1.00 0.00 C ATOM 691 CG GLU A 47 14.164 1.394 -5.267 1.00 0.00 C ATOM 692 CD GLU A 47 15.335 2.366 -5.156 1.00 0.00 C ATOM 693 OE1 GLU A 47 15.145 3.528 -5.471 1.00 0.00 O ATOM 694 OE2 GLU A 47 16.401 1.934 -4.753 1.00 0.00 O ATOM 0 H GLU A 47 14.654 3.207 -3.068 1.00 0.00 H new ATOM 0 HA GLU A 47 12.634 3.514 -5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.624 1.294 -3.174 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.282 1.017 -4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.531 0.368 -5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.656 1.532 -6.222 1.00 0.00 H new ATOM 701 N LEU A 48 11.574 3.186 -1.921 1.00 0.00 N ATOM 702 CA LEU A 48 10.377 3.328 -1.086 1.00 0.00 C ATOM 703 C LEU A 48 9.785 4.719 -1.225 1.00 0.00 C ATOM 704 O LEU A 48 8.577 4.886 -1.390 1.00 0.00 O ATOM 705 CB LEU A 48 10.746 3.132 0.380 1.00 0.00 C ATOM 706 CG LEU A 48 11.296 1.726 0.600 1.00 0.00 C ATOM 707 CD1 LEU A 48 11.779 1.586 2.057 1.00 0.00 C ATOM 708 CD2 LEU A 48 10.209 0.680 0.299 1.00 0.00 C ATOM 0 H LEU A 48 12.437 3.018 -1.405 1.00 0.00 H new ATOM 0 HA LEU A 48 9.654 2.580 -1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.489 3.872 0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.869 3.290 1.008 1.00 0.00 H new ATOM 0 HG LEU A 48 12.136 1.558 -0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.172 0.582 2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.563 2.318 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.944 1.760 2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.612 -0.320 0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.358 0.839 0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.886 0.779 -0.737 1.00 0.00 H new ATOM 720 N GLN A 49 10.654 5.714 -1.146 1.00 0.00 N ATOM 721 CA GLN A 49 10.220 7.101 -1.251 1.00 0.00 C ATOM 722 C GLN A 49 9.617 7.339 -2.623 1.00 0.00 C ATOM 723 O GLN A 49 8.548 7.937 -2.757 1.00 0.00 O ATOM 724 CB GLN A 49 11.414 8.043 -1.037 1.00 0.00 C ATOM 725 CG GLN A 49 10.918 9.440 -0.647 1.00 0.00 C ATOM 726 CD GLN A 49 10.103 10.048 -1.782 1.00 0.00 C ATOM 727 OE1 GLN A 49 10.506 9.979 -2.943 1.00 0.00 O ATOM 728 NE2 GLN A 49 8.978 10.651 -1.511 1.00 0.00 N ATOM 0 H GLN A 49 11.657 5.591 -1.011 1.00 0.00 H new ATOM 0 HA GLN A 49 9.471 7.302 -0.485 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.064 7.648 -0.256 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.010 8.101 -1.948 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.309 9.378 0.255 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.767 10.083 -0.415 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.648 10.706 -0.547 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.429 11.068 -2.263 1.00 0.00 H new ATOM 737 N ASP A 50 10.318 6.857 -3.637 1.00 0.00 N ATOM 738 CA ASP A 50 9.878 7.000 -5.002 1.00 0.00 C ATOM 739 C ASP A 50 8.566 6.237 -5.203 1.00 0.00 C ATOM 740 O ASP A 50 7.646 6.722 -5.867 1.00 0.00 O ATOM 741 CB ASP A 50 10.974 6.434 -5.906 1.00 0.00 C ATOM 742 CG ASP A 50 12.056 7.487 -6.152 1.00 0.00 C ATOM 743 OD1 ASP A 50 12.023 8.505 -5.479 1.00 0.00 O ATOM 744 OD2 ASP A 50 12.899 7.253 -6.998 1.00 0.00 O ATOM 0 H ASP A 50 11.202 6.360 -3.531 1.00 0.00 H new ATOM 0 HA ASP A 50 9.699 8.047 -5.245 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.415 5.550 -5.445 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.544 6.116 -6.856 1.00 0.00 H new ATOM 749 N MET A 51 8.484 5.051 -4.605 1.00 0.00 N ATOM 750 CA MET A 51 7.278 4.243 -4.710 1.00 0.00 C ATOM 751 C MET A 51 6.108 5.021 -4.137 1.00 0.00 C ATOM 752 O MET A 51 5.031 5.074 -4.728 1.00 0.00 O ATOM 753 CB MET A 51 7.456 2.937 -3.931 1.00 0.00 C ATOM 754 CG MET A 51 6.209 2.065 -4.091 1.00 0.00 C ATOM 755 SD MET A 51 6.483 0.472 -3.269 1.00 0.00 S ATOM 756 CE MET A 51 7.743 -0.176 -4.399 1.00 0.00 C ATOM 0 H MET A 51 9.231 4.634 -4.049 1.00 0.00 H new ATOM 0 HA MET A 51 7.088 4.008 -5.757 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.334 2.403 -4.294 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.628 3.152 -2.876 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.343 2.566 -3.659 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.993 1.910 -5.148 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.714 -1.266 -4.391 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.546 0.184 -5.409 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.728 0.163 -4.078 1.00 0.00 H new ATOM 766 N ILE A 52 6.351 5.646 -2.995 1.00 0.00 N ATOM 767 CA ILE A 52 5.339 6.457 -2.336 1.00 0.00 C ATOM 768 C ILE A 52 4.970 7.664 -3.195 1.00 0.00 C ATOM 769 O ILE A 52 3.801 7.963 -3.371 1.00 0.00 O ATOM 770 CB ILE A 52 5.885 6.917 -0.957 1.00 0.00 C ATOM 771 CG1 ILE A 52 5.638 5.830 0.097 1.00 0.00 C ATOM 772 CG2 ILE A 52 5.247 8.234 -0.493 1.00 0.00 C ATOM 773 CD1 ILE A 52 6.456 6.125 1.354 1.00 0.00 C ATOM 0 H ILE A 52 7.244 5.607 -2.504 1.00 0.00 H new ATOM 0 HA ILE A 52 4.436 5.864 -2.193 1.00 0.00 H new ATOM 0 HB ILE A 52 6.955 7.086 -1.074 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.577 5.787 0.345 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.912 4.854 -0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.659 8.517 0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.460 9.017 -1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.168 8.104 -0.404 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.274 5.348 2.097 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.516 6.145 1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.161 7.092 1.761 1.00 0.00 H new ATOM 785 N ASN A 53 5.982 8.352 -3.707 1.00 0.00 N ATOM 786 CA ASN A 53 5.765 9.556 -4.505 1.00 0.00 C ATOM 787 C ASN A 53 4.860 9.318 -5.716 1.00 0.00 C ATOM 788 O ASN A 53 4.082 10.197 -6.086 1.00 0.00 O ATOM 789 CB ASN A 53 7.117 10.116 -4.948 1.00 0.00 C ATOM 790 CG ASN A 53 6.917 11.388 -5.763 1.00 0.00 C ATOM 791 OD1 ASN A 53 6.445 11.333 -6.895 1.00 0.00 O ATOM 792 ND2 ASN A 53 7.252 12.541 -5.246 1.00 0.00 N ATOM 0 H ASN A 53 6.962 8.098 -3.585 1.00 0.00 H new ATOM 0 HA ASN A 53 5.245 10.278 -3.876 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.735 10.328 -4.075 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.649 9.374 -5.543 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.121 13.398 -5.783 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.644 12.584 -4.305 1.00 0.00 H new ATOM 799 N GLU A 54 4.963 8.152 -6.340 1.00 0.00 N ATOM 800 CA GLU A 54 4.145 7.844 -7.502 1.00 0.00 C ATOM 801 C GLU A 54 2.660 7.769 -7.128 1.00 0.00 C ATOM 802 O GLU A 54 1.810 8.404 -7.756 1.00 0.00 O ATOM 803 CB GLU A 54 4.598 6.500 -8.051 1.00 0.00 C ATOM 804 CG GLU A 54 3.979 6.284 -9.416 1.00 0.00 C ATOM 805 CD GLU A 54 4.496 4.981 -10.009 1.00 0.00 C ATOM 806 OE1 GLU A 54 5.483 4.473 -9.498 1.00 0.00 O ATOM 807 OE2 GLU A 54 3.905 4.508 -10.965 1.00 0.00 O ATOM 0 H GLU A 54 5.602 7.408 -6.061 1.00 0.00 H new ATOM 0 HA GLU A 54 4.263 8.631 -8.247 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.685 6.471 -8.123 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.302 5.699 -7.374 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.893 6.252 -9.333 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.224 7.118 -10.074 1.00 0.00 H new ATOM 814 N VAL A 55 2.372 6.987 -6.092 1.00 0.00 N ATOM 815 CA VAL A 55 1.002 6.809 -5.593 1.00 0.00 C ATOM 816 C VAL A 55 0.530 8.042 -4.822 1.00 0.00 C ATOM 817 O VAL A 55 -0.668 8.259 -4.645 1.00 0.00 O ATOM 818 CB VAL A 55 0.968 5.593 -4.663 1.00 0.00 C ATOM 819 CG1 VAL A 55 2.003 5.782 -3.557 1.00 0.00 C ATOM 820 CG2 VAL A 55 -0.412 5.466 -4.023 1.00 0.00 C ATOM 0 H VAL A 55 3.074 6.459 -5.573 1.00 0.00 H new ATOM 0 HA VAL A 55 0.338 6.662 -6.445 1.00 0.00 H new ATOM 0 HB VAL A 55 1.187 4.695 -5.240 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.985 4.920 -2.890 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.995 5.878 -3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.770 6.684 -2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.429 4.599 -3.363 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.630 6.365 -3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.164 5.343 -4.802 1.00 0.00 H new ATOM 830 N ASP A 56 1.488 8.824 -4.355 1.00 0.00 N ATOM 831 CA ASP A 56 1.189 10.020 -3.577 1.00 0.00 C ATOM 832 C ASP A 56 0.511 11.074 -4.444 1.00 0.00 C ATOM 833 O ASP A 56 0.911 12.239 -4.444 1.00 0.00 O ATOM 834 CB ASP A 56 2.486 10.575 -2.986 1.00 0.00 C ATOM 835 CG ASP A 56 2.203 11.589 -1.895 1.00 0.00 C ATOM 836 OD1 ASP A 56 1.045 11.853 -1.636 1.00 0.00 O ATOM 837 OD2 ASP A 56 3.162 12.083 -1.326 1.00 0.00 O ATOM 0 H ASP A 56 2.483 8.654 -4.500 1.00 0.00 H new ATOM 0 HA ASP A 56 0.504 9.757 -2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.083 9.758 -2.580 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.078 11.041 -3.774 1.00 0.00 H new ATOM 842 N ALA A 57 -0.523 10.659 -5.179 1.00 0.00 N ATOM 843 CA ALA A 57 -1.263 11.577 -6.047 1.00 0.00 C ATOM 844 C ALA A 57 -1.446 12.924 -5.361 1.00 0.00 C ATOM 845 O ALA A 57 -1.583 13.957 -6.011 1.00 0.00 O ATOM 846 CB ALA A 57 -2.640 10.984 -6.366 1.00 0.00 C ATOM 0 H ALA A 57 -0.865 9.698 -5.191 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.697 11.719 -6.968 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.190 11.668 -7.012 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.516 10.027 -6.873 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.195 10.834 -5.440 1.00 0.00 H new ATOM 852 N ASP A 58 -1.452 12.889 -4.033 1.00 0.00 N ATOM 853 CA ASP A 58 -1.623 14.098 -3.240 1.00 0.00 C ATOM 854 C ASP A 58 -0.278 14.772 -2.968 1.00 0.00 C ATOM 855 O ASP A 58 -0.189 16.000 -2.922 1.00 0.00 O ATOM 856 CB ASP A 58 -2.286 13.742 -1.912 1.00 0.00 C ATOM 857 CG ASP A 58 -3.508 12.866 -2.161 1.00 0.00 C ATOM 858 OD1 ASP A 58 -4.281 13.194 -3.046 1.00 0.00 O ATOM 859 OD2 ASP A 58 -3.651 11.874 -1.463 1.00 0.00 O ATOM 0 H ASP A 58 -1.340 12.036 -3.484 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.250 14.792 -3.800 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.577 13.219 -1.270 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.580 14.651 -1.387 1.00 0.00 H new ATOM 864 N GLY A 59 0.765 13.962 -2.766 1.00 0.00 N ATOM 865 CA GLY A 59 2.101 14.494 -2.475 1.00 0.00 C ATOM 866 C GLY A 59 2.333 14.608 -0.966 1.00 0.00 C ATOM 867 O GLY A 59 3.265 15.280 -0.526 1.00 0.00 O ATOM 0 H GLY A 59 0.712 12.944 -2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.858 13.844 -2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.214 15.474 -2.938 1.00 0.00 H new ATOM 871 N ASN A 60 1.476 13.962 -0.176 1.00 0.00 N ATOM 872 CA ASN A 60 1.607 14.023 1.279 1.00 0.00 C ATOM 873 C ASN A 60 2.877 13.320 1.766 1.00 0.00 C ATOM 874 O ASN A 60 3.459 13.722 2.774 1.00 0.00 O ATOM 875 CB ASN A 60 0.390 13.377 1.940 1.00 0.00 C ATOM 876 CG ASN A 60 -0.887 14.011 1.404 1.00 0.00 C ATOM 877 OD1 ASN A 60 -0.831 15.183 0.831 1.00 0.00 O flip ATOM 878 ND2 ASN A 60 -1.963 13.423 1.507 1.00 0.00 N flip ATOM 0 H ASN A 60 0.695 13.399 -0.512 1.00 0.00 H new ATOM 0 HA ASN A 60 1.671 15.075 1.557 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.385 12.305 1.744 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.443 13.503 3.021 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.003 12.508 1.955 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.815 13.851 1.144 1.00 0.00 H new ATOM 885 N GLY A 61 3.310 12.272 1.055 1.00 0.00 N ATOM 886 CA GLY A 61 4.519 11.529 1.438 1.00 0.00 C ATOM 887 C GLY A 61 4.179 10.251 2.196 1.00 0.00 C ATOM 888 O GLY A 61 5.068 9.481 2.560 1.00 0.00 O ATOM 0 H GLY A 61 2.846 11.920 0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.092 11.281 0.545 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.154 12.162 2.058 1.00 0.00 H new ATOM 892 N THR A 62 2.891 10.009 2.416 1.00 0.00 N ATOM 893 CA THR A 62 2.453 8.796 3.109 1.00 0.00 C ATOM 894 C THR A 62 1.244 8.220 2.396 1.00 0.00 C ATOM 895 O THR A 62 0.598 8.906 1.600 1.00 0.00 O ATOM 896 CB THR A 62 2.135 9.088 4.574 1.00 0.00 C ATOM 897 OG1 THR A 62 1.028 9.973 4.660 1.00 0.00 O ATOM 898 CG2 THR A 62 3.362 9.721 5.231 1.00 0.00 C ATOM 0 H THR A 62 2.135 10.630 2.128 1.00 0.00 H new ATOM 0 HA THR A 62 3.260 8.064 3.091 1.00 0.00 H new ATOM 0 HB THR A 62 1.882 8.161 5.088 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.827 10.155 5.602 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.145 9.934 6.278 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.205 9.032 5.167 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.612 10.649 4.717 1.00 0.00 H new ATOM 906 N ILE A 63 0.967 6.945 2.638 1.00 0.00 N ATOM 907 CA ILE A 63 -0.138 6.282 1.955 1.00 0.00 C ATOM 908 C ILE A 63 -1.435 6.360 2.744 1.00 0.00 C ATOM 909 O ILE A 63 -1.522 5.859 3.867 1.00 0.00 O ATOM 910 CB ILE A 63 0.209 4.810 1.733 1.00 0.00 C ATOM 911 CG1 ILE A 63 1.637 4.702 1.189 1.00 0.00 C ATOM 912 CG2 ILE A 63 -0.768 4.181 0.741 1.00 0.00 C ATOM 913 CD1 ILE A 63 1.789 5.566 -0.069 1.00 0.00 C ATOM 0 H ILE A 63 1.483 6.356 3.292 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.286 6.797 1.006 1.00 0.00 H new ATOM 0 HB ILE A 63 0.136 4.279 2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.349 5.024 1.949 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.868 3.663 0.956 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.510 3.133 0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.782 4.253 1.134 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.710 4.708 -0.211 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.808 5.482 -0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.089 5.224 -0.832 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.578 6.607 0.177 1.00 0.00 H new ATOM 925 N ASP A 64 -2.462 6.931 2.114 1.00 0.00 N ATOM 926 CA ASP A 64 -3.781 7.000 2.723 1.00 0.00 C ATOM 927 C ASP A 64 -4.466 5.676 2.417 1.00 0.00 C ATOM 928 O ASP A 64 -3.851 4.809 1.816 1.00 0.00 O ATOM 929 CB ASP A 64 -4.587 8.157 2.135 1.00 0.00 C ATOM 930 CG ASP A 64 -3.972 9.485 2.562 1.00 0.00 C ATOM 931 OD1 ASP A 64 -3.145 9.470 3.459 1.00 0.00 O ATOM 932 OD2 ASP A 64 -4.338 10.498 1.987 1.00 0.00 O ATOM 0 H ASP A 64 -2.402 7.350 1.186 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.705 7.171 3.797 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.602 8.086 1.047 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.622 8.100 2.473 1.00 0.00 H new ATOM 937 N PHE A 65 -5.720 5.490 2.793 1.00 0.00 N ATOM 938 CA PHE A 65 -6.357 4.214 2.476 1.00 0.00 C ATOM 939 C PHE A 65 -6.776 4.133 0.990 1.00 0.00 C ATOM 940 O PHE A 65 -6.402 3.186 0.302 1.00 0.00 O ATOM 941 CB PHE A 65 -7.547 3.904 3.394 1.00 0.00 C ATOM 942 CG PHE A 65 -8.183 2.636 2.874 1.00 0.00 C ATOM 943 CD1 PHE A 65 -7.423 1.461 2.819 1.00 0.00 C ATOM 944 CD2 PHE A 65 -9.493 2.645 2.389 1.00 0.00 C ATOM 945 CE1 PHE A 65 -7.969 0.299 2.287 1.00 0.00 C ATOM 946 CE2 PHE A 65 -10.042 1.475 1.847 1.00 0.00 C ATOM 947 CZ PHE A 65 -9.277 0.302 1.795 1.00 0.00 C ATOM 0 H PHE A 65 -6.297 6.166 3.293 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.602 3.449 2.656 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.217 3.776 4.425 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.263 4.726 3.389 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.409 1.458 3.191 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.081 3.550 2.432 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.382 -0.607 2.254 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.054 1.477 1.470 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.698 -0.599 1.375 1.00 0.00 H new ATOM 957 N PRO A 66 -7.545 5.054 0.469 1.00 0.00 N ATOM 958 CA PRO A 66 -7.969 4.987 -0.965 1.00 0.00 C ATOM 959 C PRO A 66 -6.766 4.948 -1.903 1.00 0.00 C ATOM 960 O PRO A 66 -6.750 4.196 -2.877 1.00 0.00 O ATOM 961 CB PRO A 66 -8.810 6.262 -1.156 1.00 0.00 C ATOM 962 CG PRO A 66 -8.359 7.166 -0.060 1.00 0.00 C ATOM 963 CD PRO A 66 -8.101 6.248 1.126 1.00 0.00 C ATOM 0 HA PRO A 66 -8.530 4.082 -1.199 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.640 6.708 -2.136 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.877 6.050 -1.084 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -7.457 7.709 -0.342 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.119 7.911 0.175 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.401 6.686 1.837 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.015 6.024 1.676 1.00 0.00 H new ATOM 971 N GLU A 67 -5.753 5.746 -1.595 1.00 0.00 N ATOM 972 CA GLU A 67 -4.552 5.765 -2.417 1.00 0.00 C ATOM 973 C GLU A 67 -4.002 4.358 -2.527 1.00 0.00 C ATOM 974 O GLU A 67 -3.592 3.906 -3.597 1.00 0.00 O ATOM 975 CB GLU A 67 -3.496 6.661 -1.775 1.00 0.00 C ATOM 976 CG GLU A 67 -3.869 8.127 -1.953 1.00 0.00 C ATOM 977 CD GLU A 67 -2.812 8.998 -1.289 1.00 0.00 C ATOM 978 OE1 GLU A 67 -2.457 8.704 -0.160 1.00 0.00 O ATOM 979 OE2 GLU A 67 -2.368 9.942 -1.921 1.00 0.00 O ATOM 0 H GLU A 67 -5.738 6.379 -0.795 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.801 6.150 -3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.407 6.427 -0.714 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.523 6.469 -2.226 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.943 8.369 -3.013 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.847 8.322 -1.512 1.00 0.00 H new ATOM 986 N PHE A 68 -4.019 3.670 -1.397 1.00 0.00 N ATOM 987 CA PHE A 68 -3.548 2.307 -1.326 1.00 0.00 C ATOM 988 C PHE A 68 -4.405 1.415 -2.232 1.00 0.00 C ATOM 989 O PHE A 68 -3.879 0.535 -2.897 1.00 0.00 O ATOM 990 CB PHE A 68 -3.558 1.839 0.143 1.00 0.00 C ATOM 991 CG PHE A 68 -3.660 0.335 0.253 1.00 0.00 C ATOM 992 CD1 PHE A 68 -2.561 -0.470 -0.065 1.00 0.00 C ATOM 993 CD2 PHE A 68 -4.847 -0.249 0.706 1.00 0.00 C ATOM 994 CE1 PHE A 68 -2.648 -1.856 0.075 1.00 0.00 C ATOM 995 CE2 PHE A 68 -4.937 -1.634 0.840 1.00 0.00 C ATOM 996 CZ PHE A 68 -3.840 -2.438 0.530 1.00 0.00 C ATOM 0 H PHE A 68 -4.359 4.043 -0.511 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.521 2.239 -1.686 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.649 2.179 0.639 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.397 2.299 0.665 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.646 -0.019 -0.419 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.695 0.373 0.952 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.799 -2.479 -0.167 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.856 -2.084 1.184 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.909 -3.510 0.641 1.00 0.00 H new ATOM 1006 N LEU A 69 -5.719 1.655 -2.277 1.00 0.00 N ATOM 1007 CA LEU A 69 -6.587 0.850 -3.142 1.00 0.00 C ATOM 1008 C LEU A 69 -6.186 1.006 -4.610 1.00 0.00 C ATOM 1009 O LEU A 69 -6.152 0.025 -5.356 1.00 0.00 O ATOM 1010 CB LEU A 69 -8.063 1.253 -2.986 1.00 0.00 C ATOM 1011 CG LEU A 69 -8.616 0.803 -1.624 1.00 0.00 C ATOM 1012 CD1 LEU A 69 -10.063 1.302 -1.482 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -8.597 -0.736 -1.518 1.00 0.00 C ATOM 0 H LEU A 69 -6.195 2.380 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.467 -0.189 -2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.161 2.334 -3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.652 0.807 -3.787 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.994 1.219 -0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.464 0.987 -0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.080 2.390 -1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.673 0.883 -2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.992 -1.039 -0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.213 -1.163 -2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.573 -1.095 -1.621 1.00 0.00 H new ATOM 1025 N ASN A 70 -5.883 2.234 -5.024 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.478 2.481 -6.409 1.00 0.00 C ATOM 1027 C ASN A 70 -4.212 1.691 -6.696 1.00 0.00 C ATOM 1028 O ASN A 70 -4.072 1.025 -7.723 1.00 0.00 O ATOM 1029 CB ASN A 70 -5.155 3.968 -6.581 1.00 0.00 C ATOM 1030 CG ASN A 70 -6.428 4.800 -6.588 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -7.462 4.362 -7.089 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -6.411 5.988 -6.044 1.00 0.00 N ATOM 0 H ASN A 70 -5.909 3.064 -4.432 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.281 2.185 -7.084 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.503 4.299 -5.772 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.610 4.121 -7.513 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.258 6.556 -6.034 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.551 6.347 -5.630 1.00 0.00 H new ATOM 1039 N LEU A 71 -3.315 1.780 -5.738 1.00 0.00 N ATOM 1040 CA LEU A 71 -2.036 1.101 -5.765 1.00 0.00 C ATOM 1041 C LEU A 71 -2.228 -0.414 -5.760 1.00 0.00 C ATOM 1042 O LEU A 71 -1.613 -1.132 -6.548 1.00 0.00 O ATOM 1043 CB LEU A 71 -1.316 1.590 -4.509 1.00 0.00 C ATOM 1044 CG LEU A 71 -0.127 0.728 -4.089 1.00 0.00 C ATOM 1045 CD1 LEU A 71 0.985 0.805 -5.127 1.00 0.00 C ATOM 1046 CD2 LEU A 71 0.376 1.278 -2.752 1.00 0.00 C ATOM 0 H LEU A 71 -3.458 2.340 -4.898 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.462 1.318 -6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.969 2.609 -4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.030 1.628 -3.687 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.427 -0.316 -4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.823 0.184 -4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.612 0.448 -6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.317 1.838 -5.229 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.229 0.689 -2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.680 2.317 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.422 1.220 -2.011 1.00 0.00 H new ATOM 1058 N MET A 72 -3.092 -0.882 -4.868 1.00 0.00 N ATOM 1059 CA MET A 72 -3.379 -2.307 -4.755 1.00 0.00 C ATOM 1060 C MET A 72 -4.109 -2.805 -6.008 1.00 0.00 C ATOM 1061 O MET A 72 -3.777 -3.855 -6.560 1.00 0.00 O ATOM 1062 CB MET A 72 -4.248 -2.545 -3.499 1.00 0.00 C ATOM 1063 CG MET A 72 -3.746 -3.733 -2.685 1.00 0.00 C ATOM 1064 SD MET A 72 -3.564 -5.186 -3.736 1.00 0.00 S ATOM 1065 CE MET A 72 -2.929 -6.261 -2.431 1.00 0.00 C ATOM 0 H MET A 72 -3.607 -0.295 -4.212 1.00 0.00 H new ATOM 0 HA MET A 72 -2.445 -2.861 -4.664 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.243 -1.649 -2.878 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.281 -2.719 -3.799 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.789 -3.488 -2.225 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.444 -3.947 -1.875 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.731 -7.252 -2.840 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.005 -5.842 -2.032 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.667 -6.339 -1.633 1.00 0.00 H new ATOM 1075 N ALA A 73 -5.112 -2.040 -6.443 1.00 0.00 N ATOM 1076 CA ALA A 73 -5.896 -2.407 -7.620 1.00 0.00 C ATOM 1077 C ALA A 73 -5.023 -2.415 -8.865 1.00 0.00 C ATOM 1078 O ALA A 73 -5.166 -3.274 -9.736 1.00 0.00 O ATOM 1079 CB ALA A 73 -7.050 -1.420 -7.814 1.00 0.00 C ATOM 0 H ALA A 73 -5.398 -1.167 -5.999 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.297 -3.408 -7.463 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.627 -1.704 -8.694 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.695 -1.437 -6.936 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.650 -0.415 -7.951 1.00 0.00 H new