USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 623 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 64 ASN : amide:sc= -0.825 K(o=-1.6,f=-0.82!) USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= -0.79 USER MOD Single : A 1 MET CE :methyl -162:sc= 0 (180deg=-0.13) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0.236 (180deg=0.218) USER MOD Single : A 3 ASN : amide:sc= -0.128 K(o=-0.13,f=-1.9) USER MOD Single : A 5 TYR OH : rot 110:sc= 0.663 USER MOD Single : A 8 ASN : amide:sc= 0.683 K(o=0.68,f=-0.41) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -120:sc= -1.04 USER MOD Single : A 15 SER OG : rot -120:sc= -0.535 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -67:sc= 0.029 USER MOD Single : A 24 GLN : amide:sc= -0.0859 X(o=-0.086,f=-0.073) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0034 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 43 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0274) USER MOD Single : A 50 MET CE :methyl -154:sc= -0.05 (180deg=-0.772) USER MOD Single : A 51 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.036) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -83:sc= 0.929 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 163:sc= 0 (180deg=-0.249) USER MOD Single : A 71 THR OG1 : rot 55:sc= 1.96 USER MOD Single : A 75 THR OG1 : rot 180:sc=-0.00114 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.187 4.960 -15.411 1.00 0.00 N ATOM 2 CA MET A 1 2.334 4.001 -14.286 1.00 0.00 C ATOM 3 C MET A 1 3.414 4.456 -13.310 1.00 0.00 C ATOM 4 O MET A 1 4.606 4.377 -13.607 1.00 0.00 O ATOM 5 CB MET A 1 2.685 2.626 -14.859 1.00 0.00 C ATOM 6 CG MET A 1 1.585 2.026 -15.720 1.00 0.00 C ATOM 7 SD MET A 1 1.973 2.075 -17.480 1.00 0.00 S ATOM 8 CE MET A 1 0.521 2.901 -18.125 1.00 0.00 C ATOM 0 H1 MET A 1 1.400 4.661 -16.022 1.00 0.00 H new ATOM 0 H2 MET A 1 1.991 5.909 -15.034 1.00 0.00 H new ATOM 0 H3 MET A 1 3.067 4.982 -15.965 1.00 0.00 H new ATOM 0 HA MET A 1 1.395 3.950 -13.735 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.595 2.711 -15.454 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.904 1.944 -14.037 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.416 0.992 -15.418 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.655 2.566 -15.542 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.451 2.728 -19.199 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.369 2.507 -17.635 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.597 3.972 -17.934 1.00 0.00 H new ATOM 20 N ARG A 2 2.989 4.931 -12.144 1.00 0.00 N ATOM 21 CA ARG A 2 3.920 5.398 -11.122 1.00 0.00 C ATOM 22 C ARG A 2 3.952 4.440 -9.937 1.00 0.00 C ATOM 23 O ARG A 2 2.939 3.836 -9.585 1.00 0.00 O ATOM 24 CB ARG A 2 3.530 6.799 -10.649 1.00 0.00 C ATOM 25 CG ARG A 2 3.583 7.849 -11.747 1.00 0.00 C ATOM 26 CD ARG A 2 4.952 8.504 -11.825 1.00 0.00 C ATOM 27 NE ARG A 2 5.891 7.716 -12.620 1.00 0.00 N ATOM 28 CZ ARG A 2 7.058 8.179 -13.063 1.00 0.00 C ATOM 29 NH1 ARG A 2 7.433 9.423 -12.791 1.00 0.00 N ATOM 30 NH2 ARG A 2 7.854 7.396 -13.779 1.00 0.00 N ATOM 0 H ARG A 2 2.006 5.003 -11.883 1.00 0.00 H new ATOM 0 HA ARG A 2 4.916 5.435 -11.563 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.521 6.767 -10.237 1.00 0.00 H new ATOM 0 HB3 ARG A 2 4.195 7.098 -9.839 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.344 7.387 -12.705 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.825 8.610 -11.562 1.00 0.00 H new ATOM 0 HD2 ARG A 2 4.854 9.498 -12.260 1.00 0.00 H new ATOM 0 HD3 ARG A 2 5.349 8.634 -10.818 1.00 0.00 H new ATOM 0 HE ARG A 2 5.638 6.755 -12.849 1.00 0.00 H new ATOM 0 HH11 ARG A 2 6.826 10.030 -12.240 1.00 0.00 H new ATOM 0 HH12 ARG A 2 8.328 9.772 -13.133 1.00 0.00 H new ATOM 0 HH21 ARG A 2 7.572 6.439 -13.990 1.00 0.00 H new ATOM 0 HH22 ARG A 2 8.748 7.751 -14.118 1.00 0.00 H new ATOM 44 N ASN A 3 5.124 4.306 -9.322 1.00 0.00 N ATOM 45 CA ASN A 3 5.288 3.421 -8.175 1.00 0.00 C ATOM 46 C ASN A 3 4.902 4.131 -6.881 1.00 0.00 C ATOM 47 O ASN A 3 5.358 5.241 -6.610 1.00 0.00 O ATOM 48 CB ASN A 3 6.734 2.929 -8.088 1.00 0.00 C ATOM 49 CG ASN A 3 7.255 2.423 -9.418 1.00 0.00 C ATOM 50 OD1 ASN A 3 7.462 3.197 -10.353 1.00 0.00 O ATOM 51 ND2 ASN A 3 7.466 1.115 -9.512 1.00 0.00 N ATOM 0 H ASN A 3 5.973 4.799 -9.599 1.00 0.00 H new ATOM 0 HA ASN A 3 4.627 2.565 -8.310 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.370 3.741 -7.737 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.799 2.131 -7.348 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.813 0.716 -10.384 1.00 0.00 H new ATOM 0 HD22 ASN A 3 7.281 0.510 -8.712 1.00 0.00 H new ATOM 58 N ILE A 4 4.058 3.482 -6.087 1.00 0.00 N ATOM 59 CA ILE A 4 3.609 4.050 -4.821 1.00 0.00 C ATOM 60 C ILE A 4 4.245 3.327 -3.639 1.00 0.00 C ATOM 61 O ILE A 4 4.376 2.104 -3.643 1.00 0.00 O ATOM 62 CB ILE A 4 2.075 3.981 -4.686 1.00 0.00 C ATOM 63 CG1 ILE A 4 1.402 4.545 -5.941 1.00 0.00 C ATOM 64 CG2 ILE A 4 1.617 4.736 -3.446 1.00 0.00 C ATOM 65 CD1 ILE A 4 0.360 3.622 -6.534 1.00 0.00 C ATOM 0 H ILE A 4 3.671 2.562 -6.297 1.00 0.00 H new ATOM 0 HA ILE A 4 3.920 5.095 -4.815 1.00 0.00 H new ATOM 0 HB ILE A 4 1.782 2.936 -4.580 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.934 5.498 -5.695 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.165 4.749 -6.692 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.532 4.678 -3.365 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.071 4.291 -2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.920 5.780 -3.523 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.075 4.086 -7.419 1.00 0.00 H new ATOM 0 HD12 ILE A 4 0.827 2.677 -6.811 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.423 3.438 -5.799 1.00 0.00 H new ATOM 77 N TYR A 5 4.640 4.094 -2.627 1.00 0.00 N ATOM 78 CA TYR A 5 5.264 3.529 -1.435 1.00 0.00 C ATOM 79 C TYR A 5 4.371 3.719 -0.213 1.00 0.00 C ATOM 80 O TYR A 5 3.962 4.836 0.102 1.00 0.00 O ATOM 81 CB TYR A 5 6.628 4.180 -1.192 1.00 0.00 C ATOM 82 CG TYR A 5 7.329 3.678 0.051 1.00 0.00 C ATOM 83 CD1 TYR A 5 6.971 4.145 1.309 1.00 0.00 C ATOM 84 CD2 TYR A 5 8.348 2.737 -0.035 1.00 0.00 C ATOM 85 CE1 TYR A 5 7.610 3.690 2.447 1.00 0.00 C ATOM 86 CE2 TYR A 5 8.991 2.278 1.099 1.00 0.00 C ATOM 87 CZ TYR A 5 8.619 2.757 2.337 1.00 0.00 C ATOM 88 OH TYR A 5 9.257 2.301 3.468 1.00 0.00 O ATOM 0 H TYR A 5 4.539 5.109 -2.609 1.00 0.00 H new ATOM 0 HA TYR A 5 5.403 2.460 -1.598 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.266 3.999 -2.057 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.497 5.259 -1.114 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.181 4.875 1.400 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.642 2.359 -1.003 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.320 4.064 3.418 1.00 0.00 H new ATOM 0 HE2 TYR A 5 9.782 1.547 1.016 1.00 0.00 H new ATOM 0 HH TYR A 5 9.009 1.367 3.629 1.00 0.00 H new ATOM 98 N VAL A 6 4.072 2.619 0.472 1.00 0.00 N ATOM 99 CA VAL A 6 3.229 2.664 1.660 1.00 0.00 C ATOM 100 C VAL A 6 3.960 2.098 2.873 1.00 0.00 C ATOM 101 O VAL A 6 4.437 0.964 2.849 1.00 0.00 O ATOM 102 CB VAL A 6 1.918 1.880 1.448 1.00 0.00 C ATOM 103 CG1 VAL A 6 2.206 0.412 1.171 1.00 0.00 C ATOM 104 CG2 VAL A 6 1.000 2.034 2.652 1.00 0.00 C ATOM 0 H VAL A 6 4.401 1.686 0.224 1.00 0.00 H new ATOM 0 HA VAL A 6 2.990 3.712 1.841 1.00 0.00 H new ATOM 0 HB VAL A 6 1.409 2.294 0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.267 -0.122 1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.817 0.324 0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.741 -0.020 2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.081 1.473 2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.500 1.651 3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.761 3.088 2.795 1.00 0.00 H new ATOM 114 N GLY A 7 4.046 2.897 3.931 1.00 0.00 N ATOM 115 CA GLY A 7 4.721 2.460 5.140 1.00 0.00 C ATOM 116 C GLY A 7 3.769 2.284 6.305 1.00 0.00 C ATOM 117 O GLY A 7 2.551 2.298 6.127 1.00 0.00 O ATOM 0 H GLY A 7 3.660 3.840 3.973 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.231 1.517 4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.487 3.188 5.408 1.00 0.00 H new ATOM 121 N ASN A 8 4.324 2.119 7.501 1.00 0.00 N ATOM 122 CA ASN A 8 3.514 1.939 8.700 1.00 0.00 C ATOM 123 C ASN A 8 2.647 0.689 8.588 1.00 0.00 C ATOM 124 O ASN A 8 1.536 0.642 9.118 1.00 0.00 O ATOM 125 CB ASN A 8 2.634 3.171 8.935 1.00 0.00 C ATOM 126 CG ASN A 8 2.908 3.829 10.273 1.00 0.00 C ATOM 127 OD1 ASN A 8 3.944 4.466 10.465 1.00 0.00 O ATOM 128 ND2 ASN A 8 1.976 3.680 11.208 1.00 0.00 N ATOM 0 H ASN A 8 5.331 2.106 7.666 1.00 0.00 H new ATOM 0 HA ASN A 8 4.186 1.815 9.549 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.804 3.893 8.136 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.585 2.880 8.884 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.104 4.102 12.128 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.132 3.144 11.006 1.00 0.00 H new ATOM 135 N LEU A 9 3.160 -0.322 7.895 1.00 0.00 N ATOM 136 CA LEU A 9 2.432 -1.572 7.713 1.00 0.00 C ATOM 137 C LEU A 9 2.718 -2.541 8.857 1.00 0.00 C ATOM 138 O LEU A 9 3.447 -2.214 9.793 1.00 0.00 O ATOM 139 CB LEU A 9 2.807 -2.218 6.377 1.00 0.00 C ATOM 140 CG LEU A 9 2.351 -1.449 5.136 1.00 0.00 C ATOM 141 CD1 LEU A 9 2.705 -2.219 3.873 1.00 0.00 C ATOM 142 CD2 LEU A 9 0.855 -1.180 5.197 1.00 0.00 C ATOM 0 H LEU A 9 4.078 -0.300 7.450 1.00 0.00 H new ATOM 0 HA LEU A 9 1.366 -1.344 7.711 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.890 -2.332 6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.379 -3.220 6.342 1.00 0.00 H new ATOM 0 HG LEU A 9 2.872 -0.492 5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.373 -1.658 3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.785 -2.362 3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.211 -3.191 3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.547 -0.632 4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.317 -2.127 5.245 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.628 -0.588 6.084 1.00 0.00 H new ATOM 154 N VAL A 10 2.137 -3.734 8.775 1.00 0.00 N ATOM 155 CA VAL A 10 2.329 -4.749 9.802 1.00 0.00 C ATOM 156 C VAL A 10 1.974 -6.138 9.267 1.00 0.00 C ATOM 157 O VAL A 10 1.791 -6.319 8.063 1.00 0.00 O ATOM 158 CB VAL A 10 1.491 -4.426 11.064 1.00 0.00 C ATOM 159 CG1 VAL A 10 0.105 -5.054 10.994 1.00 0.00 C ATOM 160 CG2 VAL A 10 2.225 -4.865 12.323 1.00 0.00 C ATOM 0 H VAL A 10 1.529 -4.020 8.007 1.00 0.00 H new ATOM 0 HA VAL A 10 3.383 -4.746 10.081 1.00 0.00 H new ATOM 0 HB VAL A 10 1.356 -3.345 11.104 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.453 -4.805 11.897 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.425 -4.670 10.122 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.200 -6.137 10.913 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.619 -4.629 13.198 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.403 -5.940 12.284 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.178 -4.341 12.390 1.00 0.00 H new ATOM 170 N TYR A 11 1.877 -7.117 10.165 1.00 0.00 N ATOM 171 CA TYR A 11 1.545 -8.486 9.777 1.00 0.00 C ATOM 172 C TYR A 11 0.329 -8.517 8.852 1.00 0.00 C ATOM 173 O TYR A 11 0.329 -9.207 7.833 1.00 0.00 O ATOM 174 CB TYR A 11 1.274 -9.336 11.020 1.00 0.00 C ATOM 175 CG TYR A 11 1.817 -10.744 10.921 1.00 0.00 C ATOM 176 CD1 TYR A 11 3.148 -10.976 10.595 1.00 0.00 C ATOM 177 CD2 TYR A 11 0.998 -11.842 11.156 1.00 0.00 C ATOM 178 CE1 TYR A 11 3.647 -12.261 10.504 1.00 0.00 C ATOM 179 CE2 TYR A 11 1.490 -13.130 11.067 1.00 0.00 C ATOM 180 CZ TYR A 11 2.815 -13.334 10.741 1.00 0.00 C ATOM 181 OH TYR A 11 3.308 -14.615 10.652 1.00 0.00 O ATOM 0 H TYR A 11 2.024 -6.987 11.166 1.00 0.00 H new ATOM 0 HA TYR A 11 2.397 -8.899 9.237 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.715 -8.846 11.888 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.199 -9.382 11.191 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.803 -10.138 10.410 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.039 -11.686 11.412 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.684 -12.424 10.248 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.841 -13.973 11.252 1.00 0.00 H new ATOM 0 HH TYR A 11 2.593 -15.255 10.849 1.00 0.00 H new ATOM 191 N SER A 12 -0.703 -7.763 9.216 1.00 0.00 N ATOM 192 CA SER A 12 -1.925 -7.700 8.422 1.00 0.00 C ATOM 193 C SER A 12 -2.684 -6.406 8.704 1.00 0.00 C ATOM 194 O SER A 12 -3.826 -6.429 9.163 1.00 0.00 O ATOM 195 CB SER A 12 -2.816 -8.908 8.721 1.00 0.00 C ATOM 196 OG SER A 12 -3.481 -9.353 7.551 1.00 0.00 O ATOM 0 H SER A 12 -0.717 -7.186 10.057 1.00 0.00 H new ATOM 0 HA SER A 12 -1.649 -7.717 7.368 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.211 -9.718 9.130 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.550 -8.643 9.482 1.00 0.00 H new ATOM 0 HG SER A 12 -4.043 -10.126 7.768 1.00 0.00 H new ATOM 202 N ALA A 13 -2.037 -5.278 8.427 1.00 0.00 N ATOM 203 CA ALA A 13 -2.645 -3.973 8.652 1.00 0.00 C ATOM 204 C ALA A 13 -3.918 -3.804 7.830 1.00 0.00 C ATOM 205 O ALA A 13 -5.026 -3.921 8.354 1.00 0.00 O ATOM 206 CB ALA A 13 -1.652 -2.866 8.328 1.00 0.00 C ATOM 0 H ALA A 13 -1.091 -5.242 8.046 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.918 -3.906 9.705 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.119 -1.896 8.500 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.775 -2.965 8.968 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.350 -2.943 7.284 1.00 0.00 H new ATOM 212 N THR A 14 -3.754 -3.525 6.540 1.00 0.00 N ATOM 213 CA THR A 14 -4.895 -3.338 5.648 1.00 0.00 C ATOM 214 C THR A 14 -4.468 -3.367 4.181 1.00 0.00 C ATOM 215 O THR A 14 -5.231 -3.796 3.316 1.00 0.00 O ATOM 216 CB THR A 14 -5.604 -2.015 5.953 1.00 0.00 C ATOM 217 OG1 THR A 14 -5.223 -1.515 7.223 1.00 0.00 O ATOM 218 CG2 THR A 14 -7.114 -2.132 5.939 1.00 0.00 C ATOM 0 H THR A 14 -2.845 -3.424 6.089 1.00 0.00 H new ATOM 0 HA THR A 14 -5.584 -4.164 5.821 1.00 0.00 H new ATOM 0 HB THR A 14 -5.297 -1.335 5.158 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.015 -1.435 7.794 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.556 -1.161 6.162 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.444 -2.463 4.954 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.430 -2.856 6.690 1.00 0.00 H new ATOM 226 N SER A 15 -3.251 -2.904 3.902 1.00 0.00 N ATOM 227 CA SER A 15 -2.737 -2.877 2.533 1.00 0.00 C ATOM 228 C SER A 15 -2.982 -4.203 1.819 1.00 0.00 C ATOM 229 O SER A 15 -3.593 -4.237 0.751 1.00 0.00 O ATOM 230 CB SER A 15 -1.242 -2.552 2.533 1.00 0.00 C ATOM 231 OG SER A 15 -0.468 -3.707 2.807 1.00 0.00 O ATOM 0 H SER A 15 -2.604 -2.543 4.603 1.00 0.00 H new ATOM 0 HA SER A 15 -3.274 -2.098 1.993 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.956 -2.140 1.565 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.033 -1.785 3.279 1.00 0.00 H new ATOM 0 HG SER A 15 0.063 -3.560 3.617 1.00 0.00 H new ATOM 237 N GLU A 16 -2.510 -5.290 2.415 1.00 0.00 N ATOM 238 CA GLU A 16 -2.691 -6.613 1.832 1.00 0.00 C ATOM 239 C GLU A 16 -4.167 -7.007 1.830 1.00 0.00 C ATOM 240 O GLU A 16 -4.565 -7.958 1.155 1.00 0.00 O ATOM 241 CB GLU A 16 -1.875 -7.651 2.605 1.00 0.00 C ATOM 242 CG GLU A 16 -2.247 -7.746 4.076 1.00 0.00 C ATOM 243 CD GLU A 16 -1.233 -7.070 4.978 1.00 0.00 C ATOM 244 OE1 GLU A 16 -0.063 -7.506 4.986 1.00 0.00 O ATOM 245 OE2 GLU A 16 -1.611 -6.106 5.677 1.00 0.00 O ATOM 0 H GLU A 16 -2.001 -5.282 3.299 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.339 -6.581 0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.012 -8.628 2.141 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.817 -7.404 2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.225 -7.291 4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.336 -8.795 4.358 1.00 0.00 H new ATOM 252 N GLN A 17 -4.976 -6.272 2.590 1.00 0.00 N ATOM 253 CA GLN A 17 -6.405 -6.543 2.676 1.00 0.00 C ATOM 254 C GLN A 17 -7.178 -5.757 1.619 1.00 0.00 C ATOM 255 O GLN A 17 -8.221 -6.202 1.140 1.00 0.00 O ATOM 256 CB GLN A 17 -6.923 -6.197 4.075 1.00 0.00 C ATOM 257 CG GLN A 17 -8.427 -6.368 4.230 1.00 0.00 C ATOM 258 CD GLN A 17 -8.891 -6.164 5.659 1.00 0.00 C ATOM 259 OE1 GLN A 17 -8.925 -5.041 6.160 1.00 0.00 O ATOM 260 NE2 GLN A 17 -9.253 -7.256 6.324 1.00 0.00 N ATOM 0 H GLN A 17 -4.663 -5.483 3.155 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.561 -7.606 2.490 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.417 -6.828 4.806 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.658 -5.165 4.306 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.939 -5.658 3.580 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.712 -7.366 3.898 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.209 -8.168 5.869 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.575 -7.182 7.289 1.00 0.00 H new ATOM 269 N VAL A 18 -6.666 -4.582 1.268 1.00 0.00 N ATOM 270 CA VAL A 18 -7.314 -3.730 0.277 1.00 0.00 C ATOM 271 C VAL A 18 -6.881 -4.093 -1.142 1.00 0.00 C ATOM 272 O VAL A 18 -7.638 -3.910 -2.095 1.00 0.00 O ATOM 273 CB VAL A 18 -7.010 -2.240 0.535 1.00 0.00 C ATOM 274 CG1 VAL A 18 -5.522 -1.962 0.388 1.00 0.00 C ATOM 275 CG2 VAL A 18 -7.822 -1.356 -0.401 1.00 0.00 C ATOM 0 H VAL A 18 -5.804 -4.198 1.655 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.387 -3.897 0.373 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.299 -2.004 1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.329 -0.905 0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.967 -2.564 1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.202 -2.217 -0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.593 -0.309 -0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.570 -1.593 -1.435 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.885 -1.532 -0.237 1.00 0.00 H new ATOM 285 N LYS A 19 -5.661 -4.606 -1.277 1.00 0.00 N ATOM 286 CA LYS A 19 -5.134 -4.989 -2.585 1.00 0.00 C ATOM 287 C LYS A 19 -6.136 -5.848 -3.352 1.00 0.00 C ATOM 288 O LYS A 19 -6.157 -5.842 -4.583 1.00 0.00 O ATOM 289 CB LYS A 19 -3.813 -5.743 -2.428 1.00 0.00 C ATOM 290 CG LYS A 19 -3.944 -7.053 -1.670 1.00 0.00 C ATOM 291 CD LYS A 19 -2.917 -8.071 -2.135 1.00 0.00 C ATOM 292 CE LYS A 19 -3.482 -9.483 -2.112 1.00 0.00 C ATOM 293 NZ LYS A 19 -2.408 -10.512 -2.187 1.00 0.00 N ATOM 0 H LYS A 19 -5.020 -4.766 -0.500 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.958 -4.076 -3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.401 -5.945 -3.416 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.099 -5.103 -1.909 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.820 -6.871 -0.603 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.947 -7.457 -1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.591 -7.825 -3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.037 -8.020 -1.495 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.060 -9.628 -1.200 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.168 -9.613 -2.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.834 -11.461 -2.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.872 -10.390 -3.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.767 -10.405 -1.375 1.00 0.00 H new ATOM 307 N GLU A 20 -6.967 -6.582 -2.618 1.00 0.00 N ATOM 308 CA GLU A 20 -7.973 -7.440 -3.233 1.00 0.00 C ATOM 309 C GLU A 20 -9.093 -6.604 -3.843 1.00 0.00 C ATOM 310 O GLU A 20 -9.654 -6.959 -4.879 1.00 0.00 O ATOM 311 CB GLU A 20 -8.548 -8.409 -2.198 1.00 0.00 C ATOM 312 CG GLU A 20 -9.126 -7.720 -0.973 1.00 0.00 C ATOM 313 CD GLU A 20 -10.641 -7.766 -0.938 1.00 0.00 C ATOM 314 OE1 GLU A 20 -11.203 -8.878 -1.020 1.00 0.00 O ATOM 315 OE2 GLU A 20 -11.265 -6.690 -0.826 1.00 0.00 O ATOM 0 H GLU A 20 -6.963 -6.600 -1.598 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.495 -8.013 -4.028 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.327 -9.009 -2.668 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.764 -9.096 -1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.731 -8.194 -0.074 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.797 -6.681 -0.956 1.00 0.00 H new ATOM 322 N LEU A 21 -9.411 -5.490 -3.191 1.00 0.00 N ATOM 323 CA LEU A 21 -10.462 -4.597 -3.667 1.00 0.00 C ATOM 324 C LEU A 21 -9.896 -3.539 -4.613 1.00 0.00 C ATOM 325 O LEU A 21 -10.635 -2.919 -5.378 1.00 0.00 O ATOM 326 CB LEU A 21 -11.159 -3.921 -2.485 1.00 0.00 C ATOM 327 CG LEU A 21 -12.336 -3.017 -2.858 1.00 0.00 C ATOM 328 CD1 LEU A 21 -13.440 -3.120 -1.816 1.00 0.00 C ATOM 329 CD2 LEU A 21 -11.873 -1.575 -3.005 1.00 0.00 C ATOM 0 H LEU A 21 -8.956 -5.184 -2.331 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.189 -5.195 -4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.515 -4.693 -1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.424 -3.329 -1.940 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.736 -3.350 -3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.268 -2.470 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.791 -4.150 -1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.053 -2.813 -0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.722 -0.945 -3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.447 -1.232 -2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.117 -1.514 -3.788 1.00 0.00 H new ATOM 341 N PHE A 22 -8.583 -3.334 -4.554 1.00 0.00 N ATOM 342 CA PHE A 22 -7.925 -2.349 -5.406 1.00 0.00 C ATOM 343 C PHE A 22 -7.892 -2.811 -6.863 1.00 0.00 C ATOM 344 O PHE A 22 -7.664 -2.009 -7.769 1.00 0.00 O ATOM 345 CB PHE A 22 -6.499 -2.090 -4.909 1.00 0.00 C ATOM 346 CG PHE A 22 -6.297 -0.707 -4.360 1.00 0.00 C ATOM 347 CD1 PHE A 22 -6.308 0.395 -5.200 1.00 0.00 C ATOM 348 CD2 PHE A 22 -6.095 -0.509 -3.003 1.00 0.00 C ATOM 349 CE1 PHE A 22 -6.122 1.669 -4.698 1.00 0.00 C ATOM 350 CE2 PHE A 22 -5.907 0.762 -2.495 1.00 0.00 C ATOM 351 CZ PHE A 22 -5.921 1.853 -3.344 1.00 0.00 C ATOM 0 H PHE A 22 -7.955 -3.836 -3.926 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.499 -1.424 -5.355 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.254 -2.818 -4.136 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.802 -2.251 -5.731 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.464 0.257 -6.260 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.084 -1.358 -2.335 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.134 2.520 -5.363 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.749 0.903 -1.436 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.775 2.848 -2.949 1.00 0.00 H new ATOM 361 N SER A 23 -8.112 -4.104 -7.084 1.00 0.00 N ATOM 362 CA SER A 23 -8.099 -4.659 -8.433 1.00 0.00 C ATOM 363 C SER A 23 -9.487 -4.617 -9.067 1.00 0.00 C ATOM 364 O SER A 23 -9.616 -4.581 -10.290 1.00 0.00 O ATOM 365 CB SER A 23 -7.582 -6.099 -8.407 1.00 0.00 C ATOM 366 OG SER A 23 -8.582 -6.992 -7.949 1.00 0.00 O ATOM 0 H SER A 23 -8.301 -4.785 -6.348 1.00 0.00 H new ATOM 0 HA SER A 23 -7.432 -4.046 -9.038 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.260 -6.391 -9.406 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.708 -6.163 -7.759 1.00 0.00 H new ATOM 0 HG SER A 23 -8.774 -6.812 -7.005 1.00 0.00 H new ATOM 372 N GLN A 24 -10.521 -4.630 -8.233 1.00 0.00 N ATOM 373 CA GLN A 24 -11.894 -4.600 -8.725 1.00 0.00 C ATOM 374 C GLN A 24 -12.379 -3.168 -8.931 1.00 0.00 C ATOM 375 O GLN A 24 -12.950 -2.843 -9.972 1.00 0.00 O ATOM 376 CB GLN A 24 -12.825 -5.334 -7.756 1.00 0.00 C ATOM 377 CG GLN A 24 -12.878 -4.713 -6.371 1.00 0.00 C ATOM 378 CD GLN A 24 -13.722 -5.519 -5.404 1.00 0.00 C ATOM 379 OE1 GLN A 24 -13.512 -6.719 -5.230 1.00 0.00 O ATOM 380 NE2 GLN A 24 -14.686 -4.862 -4.769 1.00 0.00 N ATOM 0 H GLN A 24 -10.436 -4.661 -7.217 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.912 -5.107 -9.690 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.831 -5.351 -8.175 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -12.499 -6.370 -7.668 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -11.865 -4.624 -5.977 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -13.281 -3.703 -6.445 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -14.825 -3.867 -4.943 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -15.287 -5.353 -4.107 1.00 0.00 H new ATOM 389 N PHE A 25 -12.155 -2.318 -7.934 1.00 0.00 N ATOM 390 CA PHE A 25 -12.578 -0.923 -8.014 1.00 0.00 C ATOM 391 C PHE A 25 -11.385 0.032 -7.956 1.00 0.00 C ATOM 392 O PHE A 25 -11.527 1.227 -8.215 1.00 0.00 O ATOM 393 CB PHE A 25 -13.558 -0.604 -6.882 1.00 0.00 C ATOM 394 CG PHE A 25 -14.921 -0.201 -7.367 1.00 0.00 C ATOM 395 CD1 PHE A 25 -15.641 -1.027 -8.216 1.00 0.00 C ATOM 396 CD2 PHE A 25 -15.483 1.004 -6.974 1.00 0.00 C ATOM 397 CE1 PHE A 25 -16.896 -0.660 -8.663 1.00 0.00 C ATOM 398 CE2 PHE A 25 -16.737 1.376 -7.419 1.00 0.00 C ATOM 399 CZ PHE A 25 -17.445 0.544 -8.265 1.00 0.00 C ATOM 0 H PHE A 25 -11.685 -2.569 -7.064 1.00 0.00 H new ATOM 0 HA PHE A 25 -13.074 -0.781 -8.974 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -13.654 -1.478 -6.238 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -13.146 0.199 -6.271 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -15.216 -1.968 -8.532 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -14.935 1.659 -6.313 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -17.447 -1.314 -9.323 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -17.164 2.317 -7.106 1.00 0.00 H new ATOM 0 HZ PHE A 25 -18.425 0.834 -8.614 1.00 0.00 H new ATOM 409 N GLY A 26 -10.212 -0.496 -7.616 1.00 0.00 N ATOM 410 CA GLY A 26 -9.025 0.337 -7.534 1.00 0.00 C ATOM 411 C GLY A 26 -8.288 0.435 -8.856 1.00 0.00 C ATOM 412 O GLY A 26 -7.540 1.385 -9.087 1.00 0.00 O ATOM 0 H GLY A 26 -10.063 -1.481 -7.397 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.309 1.337 -7.206 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.353 -0.068 -6.777 1.00 0.00 H new ATOM 416 N LYS A 27 -8.495 -0.550 -9.725 1.00 0.00 N ATOM 417 CA LYS A 27 -7.842 -0.569 -11.028 1.00 0.00 C ATOM 418 C LYS A 27 -6.327 -0.652 -10.875 1.00 0.00 C ATOM 419 O LYS A 27 -5.581 -0.071 -11.663 1.00 0.00 O ATOM 420 CB LYS A 27 -8.218 0.678 -11.831 1.00 0.00 C ATOM 421 CG LYS A 27 -7.838 0.593 -13.302 1.00 0.00 C ATOM 422 CD LYS A 27 -6.801 1.640 -13.673 1.00 0.00 C ATOM 423 CE LYS A 27 -6.020 1.235 -14.913 1.00 0.00 C ATOM 424 NZ LYS A 27 -6.719 1.635 -16.165 1.00 0.00 N ATOM 0 H LYS A 27 -9.110 -1.345 -9.550 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.185 -1.454 -11.565 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.293 0.841 -11.751 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.730 1.546 -11.388 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.447 -0.401 -13.521 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.728 0.728 -13.917 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.294 2.596 -13.848 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.114 1.784 -12.840 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.032 1.695 -14.886 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.869 0.155 -14.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.154 1.341 -16.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.652 1.176 -16.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.840 2.668 -16.180 1.00 0.00 H new ATOM 438 N VAL A 28 -5.878 -1.377 -9.854 1.00 0.00 N ATOM 439 CA VAL A 28 -4.451 -1.533 -9.599 1.00 0.00 C ATOM 440 C VAL A 28 -3.825 -2.531 -10.569 1.00 0.00 C ATOM 441 O VAL A 28 -4.436 -3.544 -10.913 1.00 0.00 O ATOM 442 CB VAL A 28 -4.184 -1.996 -8.152 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.775 -3.376 -7.908 1.00 0.00 C ATOM 444 CG2 VAL A 28 -2.693 -1.985 -7.853 1.00 0.00 C ATOM 0 H VAL A 28 -6.481 -1.864 -9.192 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.994 -0.554 -9.746 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.673 -1.296 -7.474 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.574 -3.681 -6.881 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.852 -3.345 -8.073 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.323 -4.092 -8.594 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.525 -2.315 -6.828 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.179 -2.658 -8.539 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.304 -0.974 -7.977 1.00 0.00 H new ATOM 454 N PHE A 29 -2.606 -2.238 -11.008 1.00 0.00 N ATOM 455 CA PHE A 29 -1.899 -3.108 -11.940 1.00 0.00 C ATOM 456 C PHE A 29 -1.326 -4.326 -11.222 1.00 0.00 C ATOM 457 O PHE A 29 -1.439 -5.452 -11.704 1.00 0.00 O ATOM 458 CB PHE A 29 -0.777 -2.338 -12.638 1.00 0.00 C ATOM 459 CG PHE A 29 -1.272 -1.309 -13.613 1.00 0.00 C ATOM 460 CD1 PHE A 29 -1.899 -0.157 -13.166 1.00 0.00 C ATOM 461 CD2 PHE A 29 -1.110 -1.493 -14.977 1.00 0.00 C ATOM 462 CE1 PHE A 29 -2.356 0.791 -14.062 1.00 0.00 C ATOM 463 CE2 PHE A 29 -1.564 -0.548 -15.877 1.00 0.00 C ATOM 464 CZ PHE A 29 -2.188 0.596 -15.419 1.00 0.00 C ATOM 0 H PHE A 29 -2.087 -1.404 -10.733 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.613 -3.453 -12.688 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.161 -1.846 -11.885 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.134 -3.045 -13.163 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.032 0.002 -12.106 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.623 -2.386 -15.341 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.844 1.684 -13.701 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.431 -0.704 -16.937 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.544 1.336 -16.120 1.00 0.00 H new ATOM 474 N ASN A 30 -0.711 -4.093 -10.067 1.00 0.00 N ATOM 475 CA ASN A 30 -0.121 -5.174 -9.285 1.00 0.00 C ATOM 476 C ASN A 30 0.404 -4.659 -7.949 1.00 0.00 C ATOM 477 O ASN A 30 0.888 -3.531 -7.853 1.00 0.00 O ATOM 478 CB ASN A 30 1.012 -5.837 -10.069 1.00 0.00 C ATOM 479 CG ASN A 30 1.200 -7.295 -9.693 1.00 0.00 C ATOM 480 OD1 ASN A 30 1.971 -7.621 -8.792 1.00 0.00 O ATOM 481 ND2 ASN A 30 0.493 -8.180 -10.386 1.00 0.00 N ATOM 0 H ASN A 30 -0.608 -3.167 -9.652 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.899 -5.911 -9.088 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.803 -5.764 -11.136 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.941 -5.295 -9.888 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.578 -9.175 -10.179 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.135 -7.865 -11.125 1.00 0.00 H new ATOM 488 N VAL A 31 0.307 -5.496 -6.921 1.00 0.00 N ATOM 489 CA VAL A 31 0.773 -5.130 -5.588 1.00 0.00 C ATOM 490 C VAL A 31 1.731 -6.181 -5.039 1.00 0.00 C ATOM 491 O VAL A 31 1.530 -7.380 -5.234 1.00 0.00 O ATOM 492 CB VAL A 31 -0.404 -4.961 -4.610 1.00 0.00 C ATOM 493 CG1 VAL A 31 0.079 -4.408 -3.278 1.00 0.00 C ATOM 494 CG2 VAL A 31 -1.474 -4.064 -5.212 1.00 0.00 C ATOM 0 H VAL A 31 -0.090 -6.433 -6.986 1.00 0.00 H new ATOM 0 HA VAL A 31 1.295 -4.178 -5.682 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.844 -5.942 -4.429 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.768 -4.296 -2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.804 -5.094 -2.841 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.548 -3.437 -3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.298 -3.956 -4.506 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.049 -3.083 -5.426 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.844 -4.508 -6.136 1.00 0.00 H new ATOM 504 N LYS A 32 2.774 -5.727 -4.353 1.00 0.00 N ATOM 505 CA LYS A 32 3.763 -6.634 -3.781 1.00 0.00 C ATOM 506 C LYS A 32 4.448 -6.006 -2.570 1.00 0.00 C ATOM 507 O LYS A 32 5.279 -5.109 -2.710 1.00 0.00 O ATOM 508 CB LYS A 32 4.806 -7.012 -4.836 1.00 0.00 C ATOM 509 CG LYS A 32 5.036 -8.510 -4.953 1.00 0.00 C ATOM 510 CD LYS A 32 5.165 -8.944 -6.407 1.00 0.00 C ATOM 511 CE LYS A 32 6.374 -9.841 -6.616 1.00 0.00 C ATOM 512 NZ LYS A 32 6.644 -10.080 -8.060 1.00 0.00 N ATOM 0 H LYS A 32 2.957 -4.739 -4.180 1.00 0.00 H new ATOM 0 HA LYS A 32 3.245 -7.535 -3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.489 -6.625 -5.804 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.750 -6.526 -4.592 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.940 -8.784 -4.409 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.209 -9.044 -4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.262 -9.473 -6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.249 -8.064 -7.044 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.249 -9.384 -6.154 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.210 -10.795 -6.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.476 -10.696 -8.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.819 -10.539 -8.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.826 -9.172 -8.534 1.00 0.00 H new ATOM 526 N LEU A 33 4.098 -6.489 -1.381 1.00 0.00 N ATOM 527 CA LEU A 33 4.684 -5.980 -0.145 1.00 0.00 C ATOM 528 C LEU A 33 5.992 -6.700 0.166 1.00 0.00 C ATOM 529 O LEU A 33 6.373 -7.639 -0.532 1.00 0.00 O ATOM 530 CB LEU A 33 3.705 -6.150 1.020 1.00 0.00 C ATOM 531 CG LEU A 33 2.228 -5.971 0.661 1.00 0.00 C ATOM 532 CD1 LEU A 33 1.356 -6.118 1.899 1.00 0.00 C ATOM 533 CD2 LEU A 33 2.001 -4.618 0.004 1.00 0.00 C ATOM 0 H LEU A 33 3.412 -7.232 -1.247 1.00 0.00 H new ATOM 0 HA LEU A 33 4.893 -4.919 -0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.841 -7.144 1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.963 -5.432 1.798 1.00 0.00 H new ATOM 0 HG LEU A 33 1.949 -6.749 -0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.309 -5.988 1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.498 -7.110 2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.635 -5.362 2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.946 -4.507 -0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.297 -3.826 0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.597 -4.551 -0.906 1.00 0.00 H new ATOM 545 N ILE A 34 6.676 -6.258 1.216 1.00 0.00 N ATOM 546 CA ILE A 34 7.940 -6.870 1.611 1.00 0.00 C ATOM 547 C ILE A 34 7.783 -7.684 2.892 1.00 0.00 C ATOM 548 O ILE A 34 6.894 -7.420 3.701 1.00 0.00 O ATOM 549 CB ILE A 34 9.049 -5.816 1.815 1.00 0.00 C ATOM 550 CG1 ILE A 34 8.500 -4.585 2.540 1.00 0.00 C ATOM 551 CG2 ILE A 34 9.654 -5.420 0.477 1.00 0.00 C ATOM 552 CD1 ILE A 34 7.920 -4.892 3.902 1.00 0.00 C ATOM 0 H ILE A 34 6.378 -5.482 1.807 1.00 0.00 H new ATOM 0 HA ILE A 34 8.232 -7.532 0.796 1.00 0.00 H new ATOM 0 HB ILE A 34 9.831 -6.255 2.434 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.300 -3.853 2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.730 -4.124 1.922 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.435 -4.676 0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.083 -6.300 -0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.878 -5.000 -0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.551 -3.972 4.356 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.098 -5.600 3.796 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.693 -5.325 4.537 1.00 0.00 H new ATOM 564 N TYR A 35 8.652 -8.673 3.067 1.00 0.00 N ATOM 565 CA TYR A 35 8.609 -9.526 4.249 1.00 0.00 C ATOM 566 C TYR A 35 10.017 -9.841 4.745 1.00 0.00 C ATOM 567 O TYR A 35 11.002 -9.335 4.207 1.00 0.00 O ATOM 568 CB TYR A 35 7.863 -10.826 3.938 1.00 0.00 C ATOM 569 CG TYR A 35 6.461 -10.608 3.413 1.00 0.00 C ATOM 570 CD1 TYR A 35 5.403 -10.368 4.281 1.00 0.00 C ATOM 571 CD2 TYR A 35 6.197 -10.642 2.049 1.00 0.00 C ATOM 572 CE1 TYR A 35 4.121 -10.167 3.805 1.00 0.00 C ATOM 573 CE2 TYR A 35 4.918 -10.443 1.566 1.00 0.00 C ATOM 574 CZ TYR A 35 3.884 -10.207 2.447 1.00 0.00 C ATOM 575 OH TYR A 35 2.609 -10.007 1.969 1.00 0.00 O ATOM 0 H TYR A 35 9.394 -8.904 2.406 1.00 0.00 H new ATOM 0 HA TYR A 35 8.078 -8.989 5.035 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.433 -11.395 3.204 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.813 -11.432 4.843 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.585 -10.338 5.345 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.004 -10.827 1.356 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.310 -9.980 4.493 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.729 -10.472 0.503 1.00 0.00 H new ATOM 0 HH TYR A 35 2.613 -10.066 0.991 1.00 0.00 H new ATOM 585 N ASP A 36 10.102 -10.677 5.774 1.00 0.00 N ATOM 586 CA ASP A 36 11.389 -11.058 6.343 1.00 0.00 C ATOM 587 C ASP A 36 12.001 -12.225 5.574 1.00 0.00 C ATOM 588 O ASP A 36 11.420 -12.714 4.605 1.00 0.00 O ATOM 589 CB ASP A 36 11.229 -11.433 7.818 1.00 0.00 C ATOM 590 CG ASP A 36 12.431 -11.031 8.649 1.00 0.00 C ATOM 591 OD1 ASP A 36 13.545 -11.513 8.356 1.00 0.00 O ATOM 592 OD2 ASP A 36 12.258 -10.233 9.596 1.00 0.00 O ATOM 0 H ASP A 36 9.296 -11.103 6.231 1.00 0.00 H new ATOM 0 HA ASP A 36 12.059 -10.202 6.264 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.337 -10.952 8.218 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.076 -12.509 7.902 1.00 0.00 H new ATOM 597 N ARG A 37 13.176 -12.664 6.011 1.00 0.00 N ATOM 598 CA ARG A 37 13.866 -13.773 5.362 1.00 0.00 C ATOM 599 C ARG A 37 13.908 -14.995 6.274 1.00 0.00 C ATOM 600 O ARG A 37 14.865 -15.769 6.247 1.00 0.00 O ATOM 601 CB ARG A 37 15.289 -13.361 4.979 1.00 0.00 C ATOM 602 CG ARG A 37 16.045 -12.668 6.101 1.00 0.00 C ATOM 603 CD ARG A 37 17.446 -12.266 5.668 1.00 0.00 C ATOM 604 NE ARG A 37 17.446 -11.587 4.374 1.00 0.00 N ATOM 605 CZ ARG A 37 17.540 -12.213 3.202 1.00 0.00 C ATOM 606 NH1 ARG A 37 17.646 -13.535 3.150 1.00 0.00 N ATOM 607 NH2 ARG A 37 17.529 -11.513 2.076 1.00 0.00 N ATOM 0 H ARG A 37 13.670 -12.269 6.811 1.00 0.00 H new ATOM 0 HA ARG A 37 13.314 -14.033 4.459 1.00 0.00 H new ATOM 0 HB2 ARG A 37 15.844 -14.247 4.671 1.00 0.00 H new ATOM 0 HB3 ARG A 37 15.246 -12.696 4.116 1.00 0.00 H new ATOM 0 HG2 ARG A 37 15.494 -11.783 6.419 1.00 0.00 H new ATOM 0 HG3 ARG A 37 16.107 -13.332 6.963 1.00 0.00 H new ATOM 0 HD2 ARG A 37 17.884 -11.611 6.421 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.077 -13.153 5.612 1.00 0.00 H new ATOM 0 HE ARG A 37 17.369 -10.570 4.368 1.00 0.00 H new ATOM 0 HH11 ARG A 37 17.656 -14.080 4.012 1.00 0.00 H new ATOM 0 HH12 ARG A 37 17.717 -14.006 2.248 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.449 -10.497 2.108 1.00 0.00 H new ATOM 0 HH22 ARG A 37 17.601 -11.991 1.178 1.00 0.00 H new ATOM 621 N GLU A 38 12.865 -15.162 7.081 1.00 0.00 N ATOM 622 CA GLU A 38 12.786 -16.290 8.000 1.00 0.00 C ATOM 623 C GLU A 38 11.341 -16.574 8.395 1.00 0.00 C ATOM 624 O GLU A 38 10.853 -17.694 8.243 1.00 0.00 O ATOM 625 CB GLU A 38 13.624 -16.014 9.251 1.00 0.00 C ATOM 626 CG GLU A 38 14.357 -17.238 9.775 1.00 0.00 C ATOM 627 CD GLU A 38 15.835 -17.221 9.438 1.00 0.00 C ATOM 628 OE1 GLU A 38 16.436 -16.127 9.462 1.00 0.00 O ATOM 629 OE2 GLU A 38 16.391 -18.302 9.152 1.00 0.00 O ATOM 0 H GLU A 38 12.064 -14.531 7.117 1.00 0.00 H new ATOM 0 HA GLU A 38 13.182 -17.169 7.490 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.351 -15.234 9.026 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.974 -15.627 10.035 1.00 0.00 H new ATOM 0 HG2 GLU A 38 14.235 -17.294 10.857 1.00 0.00 H new ATOM 0 HG3 GLU A 38 13.903 -18.136 9.356 1.00 0.00 H new ATOM 636 N THR A 39 10.659 -15.552 8.906 1.00 0.00 N ATOM 637 CA THR A 39 9.269 -15.694 9.326 1.00 0.00 C ATOM 638 C THR A 39 8.326 -14.917 8.407 1.00 0.00 C ATOM 639 O THR A 39 7.126 -14.835 8.667 1.00 0.00 O ATOM 640 CB THR A 39 9.102 -15.212 10.767 1.00 0.00 C ATOM 641 OG1 THR A 39 10.076 -14.233 11.084 1.00 0.00 O ATOM 642 CG2 THR A 39 9.221 -16.323 11.787 1.00 0.00 C ATOM 0 H THR A 39 11.046 -14.618 9.039 1.00 0.00 H new ATOM 0 HA THR A 39 9.009 -16.751 9.264 1.00 0.00 H new ATOM 0 HB THR A 39 8.095 -14.799 10.819 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.952 -13.936 12.009 1.00 0.00 H new ATOM 0 HG21 THR A 39 9.093 -15.913 12.789 1.00 0.00 H new ATOM 0 HG22 THR A 39 8.452 -17.072 11.600 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.205 -16.786 11.708 1.00 0.00 H new ATOM 650 N LYS A 40 8.870 -14.347 7.333 1.00 0.00 N ATOM 651 CA LYS A 40 8.066 -13.582 6.387 1.00 0.00 C ATOM 652 C LYS A 40 7.351 -12.428 7.086 1.00 0.00 C ATOM 653 O LYS A 40 6.268 -12.014 6.673 1.00 0.00 O ATOM 654 CB LYS A 40 7.048 -14.494 5.697 1.00 0.00 C ATOM 655 CG LYS A 40 7.380 -14.788 4.243 1.00 0.00 C ATOM 656 CD LYS A 40 8.595 -15.692 4.121 1.00 0.00 C ATOM 657 CE LYS A 40 8.498 -16.593 2.900 1.00 0.00 C ATOM 658 NZ LYS A 40 7.610 -17.763 3.143 1.00 0.00 N ATOM 0 H LYS A 40 9.861 -14.401 7.098 1.00 0.00 H new ATOM 0 HA LYS A 40 8.734 -13.164 5.634 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.986 -15.435 6.244 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.063 -14.030 5.749 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.524 -15.261 3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.567 -13.853 3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.497 -15.084 4.055 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.687 -16.303 5.019 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.119 -16.019 2.054 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.493 -16.943 2.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.570 -18.352 2.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.985 -18.325 3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.653 -17.430 3.378 1.00 0.00 H new ATOM 672 N LYS A 41 7.963 -11.914 8.148 1.00 0.00 N ATOM 673 CA LYS A 41 7.384 -10.810 8.905 1.00 0.00 C ATOM 674 C LYS A 41 7.560 -9.488 8.160 1.00 0.00 C ATOM 675 O LYS A 41 8.681 -9.014 7.982 1.00 0.00 O ATOM 676 CB LYS A 41 8.033 -10.719 10.288 1.00 0.00 C ATOM 677 CG LYS A 41 7.541 -11.778 11.261 1.00 0.00 C ATOM 678 CD LYS A 41 8.019 -11.497 12.677 1.00 0.00 C ATOM 679 CE LYS A 41 7.117 -10.495 13.380 1.00 0.00 C ATOM 680 NZ LYS A 41 7.423 -10.395 14.834 1.00 0.00 N ATOM 0 H LYS A 41 8.860 -12.244 8.504 1.00 0.00 H new ATOM 0 HA LYS A 41 6.317 -11.001 9.022 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.114 -10.811 10.180 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.837 -9.732 10.708 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.452 -11.812 11.243 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.896 -12.759 10.944 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.044 -12.427 13.245 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.039 -11.113 12.649 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.233 -9.515 12.917 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.076 -10.789 13.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.786 -9.702 15.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.288 -11.324 15.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.409 -10.090 14.961 1.00 0.00 H new ATOM 694 N PRO A 42 6.451 -8.869 7.711 1.00 0.00 N ATOM 695 CA PRO A 42 6.500 -7.596 6.982 1.00 0.00 C ATOM 696 C PRO A 42 7.286 -6.529 7.735 1.00 0.00 C ATOM 697 O PRO A 42 6.953 -6.182 8.868 1.00 0.00 O ATOM 698 CB PRO A 42 5.028 -7.193 6.867 1.00 0.00 C ATOM 699 CG PRO A 42 4.276 -8.474 6.951 1.00 0.00 C ATOM 700 CD PRO A 42 5.069 -9.358 7.875 1.00 0.00 C ATOM 0 HA PRO A 42 7.004 -7.697 6.021 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.740 -6.512 7.668 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.831 -6.679 5.926 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.269 -8.311 7.335 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.172 -8.931 5.967 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.730 -9.267 8.907 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.979 -10.409 7.601 1.00 0.00 H new ATOM 708 N LYS A 43 8.330 -6.009 7.096 1.00 0.00 N ATOM 709 CA LYS A 43 9.166 -4.978 7.703 1.00 0.00 C ATOM 710 C LYS A 43 8.322 -3.791 8.155 1.00 0.00 C ATOM 711 O LYS A 43 8.541 -3.234 9.231 1.00 0.00 O ATOM 712 CB LYS A 43 10.237 -4.514 6.714 1.00 0.00 C ATOM 713 CG LYS A 43 11.561 -5.246 6.862 1.00 0.00 C ATOM 714 CD LYS A 43 11.473 -6.673 6.342 1.00 0.00 C ATOM 715 CE LYS A 43 11.854 -7.683 7.412 1.00 0.00 C ATOM 716 NZ LYS A 43 13.312 -7.985 7.398 1.00 0.00 N ATOM 0 H LYS A 43 8.617 -6.285 6.157 1.00 0.00 H new ATOM 0 HA LYS A 43 9.653 -5.407 8.579 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.866 -4.653 5.698 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.405 -3.445 6.849 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.338 -4.708 6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.855 -5.258 7.911 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.459 -6.873 5.997 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.131 -6.788 5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.573 -7.297 8.392 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.291 -8.604 7.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.544 -8.612 8.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.561 -8.455 6.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.851 -7.100 7.485 1.00 0.00 H new ATOM 730 N GLY A 44 7.352 -3.410 7.330 1.00 0.00 N ATOM 731 CA GLY A 44 6.487 -2.294 7.668 1.00 0.00 C ATOM 732 C GLY A 44 6.191 -1.394 6.483 1.00 0.00 C ATOM 733 O GLY A 44 6.110 -0.174 6.632 1.00 0.00 O ATOM 0 H GLY A 44 7.149 -3.854 6.434 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.549 -2.677 8.070 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.955 -1.705 8.457 1.00 0.00 H new ATOM 737 N PHE A 45 6.020 -1.990 5.306 1.00 0.00 N ATOM 738 CA PHE A 45 5.723 -1.225 4.099 1.00 0.00 C ATOM 739 C PHE A 45 5.548 -2.144 2.891 1.00 0.00 C ATOM 740 O PHE A 45 5.901 -3.323 2.935 1.00 0.00 O ATOM 741 CB PHE A 45 6.830 -0.204 3.824 1.00 0.00 C ATOM 742 CG PHE A 45 8.189 -0.814 3.634 1.00 0.00 C ATOM 743 CD1 PHE A 45 8.942 -1.216 4.726 1.00 0.00 C ATOM 744 CD2 PHE A 45 8.716 -0.982 2.363 1.00 0.00 C ATOM 745 CE1 PHE A 45 10.195 -1.774 4.555 1.00 0.00 C ATOM 746 CE2 PHE A 45 9.968 -1.539 2.185 1.00 0.00 C ATOM 747 CZ PHE A 45 10.709 -1.935 3.282 1.00 0.00 C ATOM 0 H PHE A 45 6.082 -2.998 5.163 1.00 0.00 H new ATOM 0 HA PHE A 45 4.785 -0.695 4.265 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.571 0.366 2.932 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.873 0.503 4.653 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.545 -1.092 5.723 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.141 -0.674 1.502 1.00 0.00 H new ATOM 0 HE1 PHE A 45 10.771 -2.084 5.414 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.367 -1.665 1.189 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.688 -2.370 3.145 1.00 0.00 H new ATOM 757 N GLY A 46 4.994 -1.593 1.816 1.00 0.00 N ATOM 758 CA GLY A 46 4.776 -2.372 0.610 1.00 0.00 C ATOM 759 C GLY A 46 4.917 -1.542 -0.651 1.00 0.00 C ATOM 760 O GLY A 46 5.407 -0.414 -0.607 1.00 0.00 O ATOM 0 H GLY A 46 4.692 -0.621 1.758 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.489 -3.196 0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.780 -2.813 0.641 1.00 0.00 H new ATOM 764 N PHE A 47 4.490 -2.104 -1.778 1.00 0.00 N ATOM 765 CA PHE A 47 4.575 -1.408 -3.057 1.00 0.00 C ATOM 766 C PHE A 47 3.319 -1.643 -3.893 1.00 0.00 C ATOM 767 O PHE A 47 2.820 -2.765 -3.981 1.00 0.00 O ATOM 768 CB PHE A 47 5.813 -1.872 -3.829 1.00 0.00 C ATOM 769 CG PHE A 47 6.723 -0.748 -4.237 1.00 0.00 C ATOM 770 CD1 PHE A 47 7.197 0.153 -3.297 1.00 0.00 C ATOM 771 CD2 PHE A 47 7.106 -0.595 -5.560 1.00 0.00 C ATOM 772 CE1 PHE A 47 8.035 1.187 -3.670 1.00 0.00 C ATOM 773 CE2 PHE A 47 7.944 0.437 -5.937 1.00 0.00 C ATOM 774 CZ PHE A 47 8.409 1.329 -4.991 1.00 0.00 C ATOM 0 H PHE A 47 4.082 -3.038 -1.831 1.00 0.00 H new ATOM 0 HA PHE A 47 4.658 -0.340 -2.857 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.372 -2.576 -3.213 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.494 -2.412 -4.720 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.909 0.046 -2.262 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.746 -1.290 -6.304 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.397 1.883 -2.928 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.235 0.546 -6.971 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.064 2.136 -5.284 1.00 0.00 H new ATOM 784 N VAL A 48 2.817 -0.577 -4.509 1.00 0.00 N ATOM 785 CA VAL A 48 1.623 -0.664 -5.343 1.00 0.00 C ATOM 786 C VAL A 48 1.866 -0.030 -6.709 1.00 0.00 C ATOM 787 O VAL A 48 2.452 1.048 -6.808 1.00 0.00 O ATOM 788 CB VAL A 48 0.415 0.024 -4.675 1.00 0.00 C ATOM 789 CG1 VAL A 48 -0.841 -0.156 -5.516 1.00 0.00 C ATOM 790 CG2 VAL A 48 0.204 -0.516 -3.268 1.00 0.00 C ATOM 0 H VAL A 48 3.219 0.358 -4.446 1.00 0.00 H new ATOM 0 HA VAL A 48 1.399 -1.723 -5.469 1.00 0.00 H new ATOM 0 HB VAL A 48 0.625 1.091 -4.604 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.681 0.337 -5.026 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.686 0.285 -6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.057 -1.219 -5.624 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.652 -0.019 -2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.019 -1.589 -3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.094 -0.327 -2.668 1.00 0.00 H new ATOM 800 N GLU A 49 1.412 -0.707 -7.759 1.00 0.00 N ATOM 801 CA GLU A 49 1.580 -0.209 -9.119 1.00 0.00 C ATOM 802 C GLU A 49 0.264 0.336 -9.665 1.00 0.00 C ATOM 803 O GLU A 49 -0.688 -0.413 -9.881 1.00 0.00 O ATOM 804 CB GLU A 49 2.102 -1.323 -10.030 1.00 0.00 C ATOM 805 CG GLU A 49 3.063 -0.831 -11.101 1.00 0.00 C ATOM 806 CD GLU A 49 4.329 -0.233 -10.518 1.00 0.00 C ATOM 807 OE1 GLU A 49 4.659 -0.557 -9.358 1.00 0.00 O ATOM 808 OE2 GLU A 49 4.989 0.561 -11.221 1.00 0.00 O ATOM 0 H GLU A 49 0.925 -1.601 -7.694 1.00 0.00 H new ATOM 0 HA GLU A 49 2.307 0.603 -9.096 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.604 -2.075 -9.421 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.256 -1.815 -10.510 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.326 -1.661 -11.757 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.563 -0.084 -11.717 1.00 0.00 H new ATOM 815 N MET A 50 0.219 1.646 -9.884 1.00 0.00 N ATOM 816 CA MET A 50 -0.981 2.293 -10.404 1.00 0.00 C ATOM 817 C MET A 50 -0.622 3.528 -11.224 1.00 0.00 C ATOM 818 O MET A 50 0.405 4.165 -10.987 1.00 0.00 O ATOM 819 CB MET A 50 -1.913 2.681 -9.253 1.00 0.00 C ATOM 820 CG MET A 50 -3.093 1.737 -9.084 1.00 0.00 C ATOM 821 SD MET A 50 -4.598 2.592 -8.579 1.00 0.00 S ATOM 822 CE MET A 50 -3.967 3.655 -7.284 1.00 0.00 C ATOM 0 H MET A 50 0.999 2.280 -9.710 1.00 0.00 H new ATOM 0 HA MET A 50 -1.494 1.585 -11.056 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.341 2.705 -8.325 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.287 3.691 -9.423 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.274 1.215 -10.024 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.844 0.979 -8.342 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.768 3.889 -6.583 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.160 3.146 -6.757 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.589 4.578 -7.723 1.00 0.00 H new ATOM 832 N GLN A 51 -1.476 3.862 -12.186 1.00 0.00 N ATOM 833 CA GLN A 51 -1.251 5.024 -13.039 1.00 0.00 C ATOM 834 C GLN A 51 -1.124 6.292 -12.201 1.00 0.00 C ATOM 835 O GLN A 51 -1.341 6.270 -10.991 1.00 0.00 O ATOM 836 CB GLN A 51 -2.393 5.174 -14.046 1.00 0.00 C ATOM 837 CG GLN A 51 -3.747 5.414 -13.397 1.00 0.00 C ATOM 838 CD GLN A 51 -4.618 6.361 -14.201 1.00 0.00 C ATOM 839 OE1 GLN A 51 -5.751 6.033 -14.552 1.00 0.00 O ATOM 840 NE2 GLN A 51 -4.089 7.543 -14.497 1.00 0.00 N ATOM 0 H GLN A 51 -2.330 3.345 -12.395 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.318 4.872 -13.582 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.169 6.003 -14.717 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.447 4.274 -14.659 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.264 4.462 -13.280 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.600 5.822 -12.397 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.145 7.772 -14.185 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.627 8.222 -15.036 1.00 0.00 H new ATOM 849 N GLU A 52 -0.775 7.397 -12.852 1.00 0.00 N ATOM 850 CA GLU A 52 -0.623 8.669 -12.168 1.00 0.00 C ATOM 851 C GLU A 52 -1.990 9.301 -11.910 1.00 0.00 C ATOM 852 O GLU A 52 -2.994 8.599 -11.788 1.00 0.00 O ATOM 853 CB GLU A 52 0.258 9.609 -12.999 1.00 0.00 C ATOM 854 CG GLU A 52 1.474 8.927 -13.607 1.00 0.00 C ATOM 855 CD GLU A 52 1.436 8.912 -15.124 1.00 0.00 C ATOM 856 OE1 GLU A 52 1.544 9.998 -15.731 1.00 0.00 O ATOM 857 OE2 GLU A 52 1.300 7.814 -15.703 1.00 0.00 O ATOM 0 H GLU A 52 -0.592 7.433 -13.855 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.139 8.497 -11.206 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.342 10.043 -13.799 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.592 10.433 -12.368 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.377 9.439 -13.275 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.534 7.903 -13.238 1.00 0.00 H new ATOM 864 N GLU A 53 -2.023 10.626 -11.830 1.00 0.00 N ATOM 865 CA GLU A 53 -3.266 11.354 -11.589 1.00 0.00 C ATOM 866 C GLU A 53 -3.800 11.085 -10.185 1.00 0.00 C ATOM 867 O GLU A 53 -3.805 11.972 -9.332 1.00 0.00 O ATOM 868 CB GLU A 53 -4.321 10.970 -12.630 1.00 0.00 C ATOM 869 CG GLU A 53 -5.183 12.138 -13.082 1.00 0.00 C ATOM 870 CD GLU A 53 -4.461 13.055 -14.051 1.00 0.00 C ATOM 871 OE1 GLU A 53 -3.224 13.179 -13.940 1.00 0.00 O ATOM 872 OE2 GLU A 53 -5.134 13.649 -14.920 1.00 0.00 O ATOM 0 H GLU A 53 -1.201 11.221 -11.929 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.050 12.419 -11.675 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.823 10.540 -13.499 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.964 10.194 -12.214 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.088 11.756 -13.555 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.497 12.712 -12.210 1.00 0.00 H new ATOM 879 N SER A 54 -4.250 9.856 -9.953 1.00 0.00 N ATOM 880 CA SER A 54 -4.792 9.470 -8.654 1.00 0.00 C ATOM 881 C SER A 54 -3.705 9.458 -7.583 1.00 0.00 C ATOM 882 O SER A 54 -3.981 9.674 -6.404 1.00 0.00 O ATOM 883 CB SER A 54 -5.448 8.092 -8.744 1.00 0.00 C ATOM 884 OG SER A 54 -6.394 8.044 -9.799 1.00 0.00 O ATOM 0 H SER A 54 -4.250 9.109 -10.648 1.00 0.00 H new ATOM 0 HA SER A 54 -5.542 10.209 -8.371 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.683 7.332 -8.902 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.940 7.858 -7.800 1.00 0.00 H new ATOM 0 HG SER A 54 -6.798 7.152 -9.836 1.00 0.00 H new ATOM 890 N VAL A 55 -2.468 9.199 -7.999 1.00 0.00 N ATOM 891 CA VAL A 55 -1.344 9.156 -7.069 1.00 0.00 C ATOM 892 C VAL A 55 -1.190 10.477 -6.320 1.00 0.00 C ATOM 893 O VAL A 55 -0.640 10.515 -5.220 1.00 0.00 O ATOM 894 CB VAL A 55 -0.024 8.836 -7.798 1.00 0.00 C ATOM 895 CG1 VAL A 55 1.108 8.645 -6.800 1.00 0.00 C ATOM 896 CG2 VAL A 55 -0.184 7.604 -8.674 1.00 0.00 C ATOM 0 H VAL A 55 -2.219 9.016 -8.971 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.560 8.362 -6.354 1.00 0.00 H new ATOM 0 HB VAL A 55 0.228 9.681 -8.439 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.031 8.420 -7.335 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.239 9.558 -6.219 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.867 7.820 -6.130 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.758 7.393 -9.181 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.462 6.751 -8.055 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.963 7.783 -9.415 1.00 0.00 H new ATOM 906 N SER A 56 -1.673 11.559 -6.922 1.00 0.00 N ATOM 907 CA SER A 56 -1.581 12.879 -6.309 1.00 0.00 C ATOM 908 C SER A 56 -2.541 13.006 -5.129 1.00 0.00 C ATOM 909 O SER A 56 -2.148 13.422 -4.039 1.00 0.00 O ATOM 910 CB SER A 56 -1.879 13.966 -7.343 1.00 0.00 C ATOM 911 OG SER A 56 -3.266 14.035 -7.625 1.00 0.00 O ATOM 0 H SER A 56 -2.132 11.548 -7.833 1.00 0.00 H new ATOM 0 HA SER A 56 -0.564 13.007 -5.938 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.532 14.930 -6.972 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.328 13.760 -8.261 1.00 0.00 H new ATOM 0 HG SER A 56 -3.499 13.352 -8.288 1.00 0.00 H new ATOM 917 N GLU A 57 -3.802 12.652 -5.355 1.00 0.00 N ATOM 918 CA GLU A 57 -4.818 12.732 -4.312 1.00 0.00 C ATOM 919 C GLU A 57 -4.789 11.498 -3.414 1.00 0.00 C ATOM 920 O GLU A 57 -5.194 11.554 -2.252 1.00 0.00 O ATOM 921 CB GLU A 57 -6.207 12.890 -4.936 1.00 0.00 C ATOM 922 CG GLU A 57 -6.654 14.336 -5.065 1.00 0.00 C ATOM 923 CD GLU A 57 -6.522 14.864 -6.481 1.00 0.00 C ATOM 924 OE1 GLU A 57 -6.936 14.152 -7.420 1.00 0.00 O ATOM 925 OE2 GLU A 57 -6.007 15.989 -6.650 1.00 0.00 O ATOM 0 H GLU A 57 -4.145 12.307 -6.252 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.598 13.605 -3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.207 12.429 -5.924 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.932 12.347 -4.330 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.692 14.421 -4.745 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.061 14.957 -4.393 1.00 0.00 H new ATOM 932 N ALA A 58 -4.313 10.382 -3.960 1.00 0.00 N ATOM 933 CA ALA A 58 -4.237 9.135 -3.208 1.00 0.00 C ATOM 934 C ALA A 58 -3.422 9.302 -1.930 1.00 0.00 C ATOM 935 O ALA A 58 -3.799 8.804 -0.876 1.00 0.00 O ATOM 936 CB ALA A 58 -3.642 8.035 -4.074 1.00 0.00 C ATOM 0 H ALA A 58 -3.975 10.317 -4.920 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.251 8.855 -2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.590 7.109 -3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.269 7.884 -4.952 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.639 8.323 -4.390 1.00 0.00 H new ATOM 942 N ILE A 59 -2.304 10.007 -2.035 1.00 0.00 N ATOM 943 CA ILE A 59 -1.430 10.243 -0.889 1.00 0.00 C ATOM 944 C ILE A 59 -1.814 11.529 -0.153 1.00 0.00 C ATOM 945 O ILE A 59 -1.339 11.789 0.950 1.00 0.00 O ATOM 946 CB ILE A 59 0.048 10.327 -1.334 1.00 0.00 C ATOM 947 CG1 ILE A 59 0.492 8.999 -1.955 1.00 0.00 C ATOM 948 CG2 ILE A 59 0.954 10.699 -0.166 1.00 0.00 C ATOM 949 CD1 ILE A 59 0.865 9.110 -3.416 1.00 0.00 C ATOM 0 H ILE A 59 -1.978 10.428 -2.905 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.553 9.400 -0.209 1.00 0.00 H new ATOM 0 HB ILE A 59 0.131 11.112 -2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.347 8.615 -1.398 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.312 8.270 -1.848 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.987 10.751 -0.509 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.655 11.669 0.232 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.869 9.944 0.616 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.169 8.132 -3.789 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.005 9.464 -3.985 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.690 9.814 -3.529 1.00 0.00 H new ATOM 961 N ALA A 60 -2.667 12.333 -0.779 1.00 0.00 N ATOM 962 CA ALA A 60 -3.099 13.596 -0.195 1.00 0.00 C ATOM 963 C ALA A 60 -4.213 13.408 0.831 1.00 0.00 C ATOM 964 O ALA A 60 -4.164 13.976 1.922 1.00 0.00 O ATOM 965 CB ALA A 60 -3.566 14.534 -1.293 1.00 0.00 C ATOM 0 H ALA A 60 -3.073 12.131 -1.693 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.244 14.025 0.327 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.888 15.478 -0.853 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.746 14.719 -1.987 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.400 14.080 -1.829 1.00 0.00 H new ATOM 971 N LYS A 61 -5.225 12.629 0.469 1.00 0.00 N ATOM 972 CA LYS A 61 -6.359 12.392 1.355 1.00 0.00 C ATOM 973 C LYS A 61 -6.136 11.173 2.241 1.00 0.00 C ATOM 974 O LYS A 61 -6.776 11.029 3.284 1.00 0.00 O ATOM 975 CB LYS A 61 -7.639 12.212 0.537 1.00 0.00 C ATOM 976 CG LYS A 61 -7.814 13.256 -0.556 1.00 0.00 C ATOM 977 CD LYS A 61 -7.784 14.666 0.011 1.00 0.00 C ATOM 978 CE LYS A 61 -7.938 15.709 -1.084 1.00 0.00 C ATOM 979 NZ LYS A 61 -7.746 17.091 -0.565 1.00 0.00 N ATOM 0 H LYS A 61 -5.284 12.151 -0.430 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.460 13.264 2.002 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.634 11.221 0.084 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.498 12.252 1.207 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.023 13.144 -1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.760 13.090 -1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.584 14.783 0.742 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.844 14.827 0.539 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.214 15.514 -1.875 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.929 15.623 -1.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.859 17.773 -1.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.453 17.286 0.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.792 17.181 -0.162 1.00 0.00 H new ATOM 993 N LEU A 62 -5.244 10.289 1.816 1.00 0.00 N ATOM 994 CA LEU A 62 -4.963 9.076 2.571 1.00 0.00 C ATOM 995 C LEU A 62 -3.838 9.286 3.579 1.00 0.00 C ATOM 996 O LEU A 62 -4.068 9.283 4.788 1.00 0.00 O ATOM 997 CB LEU A 62 -4.604 7.949 1.611 1.00 0.00 C ATOM 998 CG LEU A 62 -5.683 7.620 0.577 1.00 0.00 C ATOM 999 CD1 LEU A 62 -5.240 6.466 -0.307 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -6.999 7.292 1.266 1.00 0.00 C ATOM 0 H LEU A 62 -4.705 10.388 0.956 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.860 8.811 3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.687 8.216 1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.390 7.051 2.191 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.835 8.496 -0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.020 6.246 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.322 6.738 -0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.060 5.585 0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.755 7.061 0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.862 6.431 1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.324 8.149 1.856 1.00 0.00 H new ATOM 1012 N ASP A 63 -2.619 9.456 3.076 1.00 0.00 N ATOM 1013 CA ASP A 63 -1.455 9.655 3.936 1.00 0.00 C ATOM 1014 C ASP A 63 -1.715 10.740 4.981 1.00 0.00 C ATOM 1015 O ASP A 63 -2.065 11.872 4.644 1.00 0.00 O ATOM 1016 CB ASP A 63 -0.221 9.992 3.083 1.00 0.00 C ATOM 1017 CG ASP A 63 0.430 11.316 3.448 1.00 0.00 C ATOM 1018 OD1 ASP A 63 0.907 11.446 4.595 1.00 0.00 O ATOM 1019 OD2 ASP A 63 0.463 12.219 2.588 1.00 0.00 O ATOM 0 H ASP A 63 -2.411 9.460 2.078 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.263 8.727 4.474 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.514 9.194 3.191 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.512 10.017 2.033 1.00 0.00 H new ATOM 1024 N ASN A 64 -1.536 10.383 6.249 1.00 0.00 N ATOM 1025 CA ASN A 64 -1.746 11.318 7.346 1.00 0.00 C ATOM 1026 C ASN A 64 -1.414 10.667 8.686 1.00 0.00 C ATOM 1027 O ASN A 64 -0.684 11.234 9.499 1.00 0.00 O ATOM 1028 CB ASN A 64 -3.191 11.819 7.353 1.00 0.00 C ATOM 1029 CG ASN A 64 -3.414 12.931 8.359 1.00 0.00 C ATOM 1030 OD1 ASN A 64 -3.207 12.748 9.559 1.00 0.00 O ATOM 1031 ND2 ASN A 64 -3.838 14.092 7.874 1.00 0.00 N ATOM 0 H ASN A 64 -1.245 9.450 6.541 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.078 12.167 7.198 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.453 12.176 6.357 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.859 10.988 7.580 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.005 14.877 8.503 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.996 14.199 6.872 1.00 0.00 H new ATOM 1038 N THR A 65 -1.956 9.474 8.907 1.00 0.00 N ATOM 1039 CA THR A 65 -1.717 8.743 10.147 1.00 0.00 C ATOM 1040 C THR A 65 -1.969 7.251 9.954 1.00 0.00 C ATOM 1041 O THR A 65 -2.135 6.780 8.830 1.00 0.00 O ATOM 1042 CB THR A 65 -2.613 9.285 11.266 1.00 0.00 C ATOM 1043 OG1 THR A 65 -3.180 10.530 10.897 1.00 0.00 O ATOM 1044 CG2 THR A 65 -1.879 9.486 12.575 1.00 0.00 C ATOM 0 H THR A 65 -2.564 8.993 8.244 1.00 0.00 H new ATOM 0 HA THR A 65 -0.673 8.884 10.428 1.00 0.00 H new ATOM 0 HB THR A 65 -3.383 8.528 11.411 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.749 10.858 11.624 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.570 9.871 13.324 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.471 8.534 12.913 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.066 10.198 12.431 1.00 0.00 H new ATOM 1052 N ASP A 66 -1.995 6.511 11.059 1.00 0.00 N ATOM 1053 CA ASP A 66 -2.226 5.073 11.009 1.00 0.00 C ATOM 1054 C ASP A 66 -3.664 4.739 11.391 1.00 0.00 C ATOM 1055 O ASP A 66 -4.139 5.125 12.460 1.00 0.00 O ATOM 1056 CB ASP A 66 -1.256 4.347 11.943 1.00 0.00 C ATOM 1057 CG ASP A 66 -1.273 2.845 11.740 1.00 0.00 C ATOM 1058 OD1 ASP A 66 -2.361 2.242 11.853 1.00 0.00 O ATOM 1059 OD2 ASP A 66 -0.198 2.271 11.465 1.00 0.00 O ATOM 0 H ASP A 66 -1.859 6.884 11.998 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.054 4.738 9.986 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.246 4.722 11.776 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.514 4.574 12.978 1.00 0.00 H new ATOM 1064 N PHE A 67 -4.354 4.021 10.510 1.00 0.00 N ATOM 1065 CA PHE A 67 -5.738 3.636 10.756 1.00 0.00 C ATOM 1066 C PHE A 67 -6.075 2.330 10.042 1.00 0.00 C ATOM 1067 O PHE A 67 -5.198 1.680 9.472 1.00 0.00 O ATOM 1068 CB PHE A 67 -6.687 4.746 10.294 1.00 0.00 C ATOM 1069 CG PHE A 67 -7.711 5.126 11.326 1.00 0.00 C ATOM 1070 CD1 PHE A 67 -7.363 5.917 12.408 1.00 0.00 C ATOM 1071 CD2 PHE A 67 -9.022 4.692 11.211 1.00 0.00 C ATOM 1072 CE1 PHE A 67 -8.302 6.269 13.359 1.00 0.00 C ATOM 1073 CE2 PHE A 67 -9.966 5.041 12.158 1.00 0.00 C ATOM 1074 CZ PHE A 67 -9.606 5.830 13.233 1.00 0.00 C ATOM 0 H PHE A 67 -3.977 3.695 9.620 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.863 3.484 11.828 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -6.102 5.628 10.032 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.199 4.422 9.388 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -6.345 6.263 12.510 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -9.309 4.075 10.373 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -8.017 6.886 14.199 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.985 4.697 12.058 1.00 0.00 H new ATOM 0 HZ PHE A 67 -10.343 6.103 13.974 1.00 0.00 H new ATOM 1084 N MET A 68 -7.348 1.953 10.078 1.00 0.00 N ATOM 1085 CA MET A 68 -7.801 0.725 9.435 1.00 0.00 C ATOM 1086 C MET A 68 -7.797 0.873 7.916 1.00 0.00 C ATOM 1087 O MET A 68 -8.849 0.855 7.277 1.00 0.00 O ATOM 1088 CB MET A 68 -9.204 0.357 9.924 1.00 0.00 C ATOM 1089 CG MET A 68 -9.234 -0.153 11.357 1.00 0.00 C ATOM 1090 SD MET A 68 -10.634 0.488 12.295 1.00 0.00 S ATOM 1091 CE MET A 68 -11.999 -0.004 11.244 1.00 0.00 C ATOM 0 H MET A 68 -8.085 2.480 10.546 1.00 0.00 H new ATOM 0 HA MET A 68 -7.111 -0.074 9.704 1.00 0.00 H new ATOM 0 HB2 MET A 68 -9.849 1.232 9.845 1.00 0.00 H new ATOM 0 HB3 MET A 68 -9.621 -0.406 9.267 1.00 0.00 H new ATOM 0 HG2 MET A 68 -9.275 -1.242 11.350 1.00 0.00 H new ATOM 0 HG3 MET A 68 -8.307 0.128 11.858 1.00 0.00 H new ATOM 0 HE1 MET A 68 -12.929 0.043 11.810 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.060 0.669 10.388 1.00 0.00 H new ATOM 0 HE3 MET A 68 -11.839 -1.024 10.893 1.00 0.00 H new ATOM 1101 N GLY A 69 -6.607 1.021 7.346 1.00 0.00 N ATOM 1102 CA GLY A 69 -6.486 1.171 5.907 1.00 0.00 C ATOM 1103 C GLY A 69 -7.240 2.377 5.384 1.00 0.00 C ATOM 1104 O GLY A 69 -7.697 2.385 4.241 1.00 0.00 O ATOM 0 H GLY A 69 -5.723 1.040 7.854 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.433 1.262 5.642 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.861 0.272 5.418 1.00 0.00 H new ATOM 1108 N ARG A 70 -7.373 3.400 6.223 1.00 0.00 N ATOM 1109 CA ARG A 70 -8.077 4.617 5.840 1.00 0.00 C ATOM 1110 C ARG A 70 -7.093 5.726 5.477 1.00 0.00 C ATOM 1111 O ARG A 70 -7.408 6.611 4.680 1.00 0.00 O ATOM 1112 CB ARG A 70 -8.994 5.080 6.975 1.00 0.00 C ATOM 1113 CG ARG A 70 -10.474 5.004 6.629 1.00 0.00 C ATOM 1114 CD ARG A 70 -11.239 6.206 7.166 1.00 0.00 C ATOM 1115 NE ARG A 70 -11.968 6.904 6.111 1.00 0.00 N ATOM 1116 CZ ARG A 70 -12.875 7.853 6.340 1.00 0.00 C ATOM 1117 NH1 ARG A 70 -13.164 8.219 7.582 1.00 0.00 N ATOM 1118 NH2 ARG A 70 -13.492 8.438 5.323 1.00 0.00 N ATOM 0 H ARG A 70 -7.002 3.409 7.173 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.683 4.395 4.962 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.803 4.469 7.857 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.743 6.107 7.238 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.593 4.951 5.547 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.898 4.089 7.042 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.939 5.877 7.934 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.543 6.896 7.643 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.772 6.651 5.143 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.691 7.773 8.368 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.859 8.946 7.751 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.272 8.162 4.366 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -14.186 9.164 5.497 1.00 0.00 H new ATOM 1132 N THR A 71 -5.903 5.675 6.065 1.00 0.00 N ATOM 1133 CA THR A 71 -4.877 6.677 5.801 1.00 0.00 C ATOM 1134 C THR A 71 -3.512 6.024 5.591 1.00 0.00 C ATOM 1135 O THR A 71 -3.000 5.988 4.472 1.00 0.00 O ATOM 1136 CB THR A 71 -4.808 7.698 6.945 1.00 0.00 C ATOM 1137 OG1 THR A 71 -3.522 8.287 7.020 1.00 0.00 O ATOM 1138 CG2 THR A 71 -5.123 7.113 8.307 1.00 0.00 C ATOM 0 H THR A 71 -5.625 4.951 6.727 1.00 0.00 H new ATOM 0 HA THR A 71 -5.150 7.199 4.884 1.00 0.00 H new ATOM 0 HB THR A 71 -5.571 8.438 6.705 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.288 8.673 6.150 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.054 7.895 9.064 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.132 6.701 8.302 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.410 6.322 8.537 1.00 0.00 H new ATOM 1146 N ILE A 72 -2.927 5.512 6.670 1.00 0.00 N ATOM 1147 CA ILE A 72 -1.621 4.867 6.595 1.00 0.00 C ATOM 1148 C ILE A 72 -0.566 5.839 6.079 1.00 0.00 C ATOM 1149 O ILE A 72 -0.892 6.845 5.452 1.00 0.00 O ATOM 1150 CB ILE A 72 -1.656 3.629 5.679 1.00 0.00 C ATOM 1151 CG1 ILE A 72 -2.857 2.746 6.022 1.00 0.00 C ATOM 1152 CG2 ILE A 72 -0.360 2.841 5.802 1.00 0.00 C ATOM 1153 CD1 ILE A 72 -3.027 1.567 5.088 1.00 0.00 C ATOM 0 H ILE A 72 -3.336 5.531 7.604 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.362 4.551 7.605 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.758 3.963 4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.748 2.378 7.042 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.762 3.352 5.997 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.401 1.969 5.149 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.479 3.473 5.512 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.229 2.515 6.834 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.898 0.985 5.391 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.168 1.927 4.069 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.138 0.938 5.130 1.00 0.00 H new ATOM 1165 N ARG A 73 0.700 5.535 6.346 1.00 0.00 N ATOM 1166 CA ARG A 73 1.797 6.390 5.904 1.00 0.00 C ATOM 1167 C ARG A 73 2.150 6.108 4.447 1.00 0.00 C ATOM 1168 O ARG A 73 3.174 5.490 4.153 1.00 0.00 O ATOM 1169 CB ARG A 73 3.025 6.178 6.791 1.00 0.00 C ATOM 1170 CG ARG A 73 4.191 7.092 6.446 1.00 0.00 C ATOM 1171 CD ARG A 73 5.526 6.385 6.620 1.00 0.00 C ATOM 1172 NE ARG A 73 6.356 7.026 7.638 1.00 0.00 N ATOM 1173 CZ ARG A 73 7.045 8.146 7.435 1.00 0.00 C ATOM 1174 NH1 ARG A 73 7.008 8.752 6.255 1.00 0.00 N ATOM 1175 NH2 ARG A 73 7.774 8.663 8.416 1.00 0.00 N ATOM 0 H ARG A 73 0.992 4.706 6.864 1.00 0.00 H new ATOM 0 HA ARG A 73 1.475 7.428 5.987 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.743 6.339 7.832 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.350 5.141 6.706 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.092 7.436 5.416 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.161 7.977 7.082 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.352 5.345 6.896 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.059 6.378 5.669 1.00 0.00 H new ATOM 0 HE ARG A 73 6.410 6.589 8.558 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.449 8.359 5.497 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.538 9.610 6.106 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.806 8.202 9.325 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.302 9.522 8.261 1.00 0.00 H new ATOM 1189 N VAL A 74 1.296 6.565 3.537 1.00 0.00 N ATOM 1190 CA VAL A 74 1.516 6.362 2.111 1.00 0.00 C ATOM 1191 C VAL A 74 2.319 7.512 1.509 1.00 0.00 C ATOM 1192 O VAL A 74 2.314 8.626 2.033 1.00 0.00 O ATOM 1193 CB VAL A 74 0.182 6.220 1.350 1.00 0.00 C ATOM 1194 CG1 VAL A 74 -0.654 7.483 1.488 1.00 0.00 C ATOM 1195 CG2 VAL A 74 0.430 5.893 -0.115 1.00 0.00 C ATOM 0 H VAL A 74 0.444 7.079 3.763 1.00 0.00 H new ATOM 0 HA VAL A 74 2.082 5.437 2.006 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.376 5.394 1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.590 7.361 0.944 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.868 7.665 2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.104 8.330 1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.524 5.797 -0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.013 6.692 -0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.980 4.955 -0.190 1.00 0.00 H new ATOM 1205 N THR A 75 3.008 7.234 0.406 1.00 0.00 N ATOM 1206 CA THR A 75 3.814 8.246 -0.265 1.00 0.00 C ATOM 1207 C THR A 75 4.245 7.770 -1.649 1.00 0.00 C ATOM 1208 O THR A 75 4.370 6.570 -1.892 1.00 0.00 O ATOM 1209 CB THR A 75 5.047 8.585 0.576 1.00 0.00 C ATOM 1210 OG1 THR A 75 5.877 9.510 -0.102 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.889 7.375 0.917 1.00 0.00 C ATOM 0 H THR A 75 3.024 6.317 -0.041 1.00 0.00 H new ATOM 0 HA THR A 75 3.204 9.141 -0.382 1.00 0.00 H new ATOM 0 HB THR A 75 4.658 9.009 1.502 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.659 9.715 0.452 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.747 7.685 1.514 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.290 6.663 1.485 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.238 6.904 -0.002 1.00 0.00 H new ATOM 1219 N GLU A 76 4.470 8.718 -2.553 1.00 0.00 N ATOM 1220 CA GLU A 76 4.886 8.395 -3.912 1.00 0.00 C ATOM 1221 C GLU A 76 6.300 7.822 -3.927 1.00 0.00 C ATOM 1222 O GLU A 76 7.237 8.442 -3.424 1.00 0.00 O ATOM 1223 CB GLU A 76 4.818 9.640 -4.798 1.00 0.00 C ATOM 1224 CG GLU A 76 5.696 10.781 -4.312 1.00 0.00 C ATOM 1225 CD GLU A 76 5.594 12.011 -5.192 1.00 0.00 C ATOM 1226 OE1 GLU A 76 5.563 11.854 -6.431 1.00 0.00 O ATOM 1227 OE2 GLU A 76 5.543 13.132 -4.643 1.00 0.00 O ATOM 0 H GLU A 76 4.371 9.716 -2.368 1.00 0.00 H new ATOM 0 HA GLU A 76 4.204 7.641 -4.304 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.114 9.371 -5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.785 9.984 -4.849 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.413 11.044 -3.293 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.733 10.448 -4.279 1.00 0.00 H new ATOM 1234 N ALA A 77 6.446 6.635 -4.506 1.00 0.00 N ATOM 1235 CA ALA A 77 7.745 5.979 -4.587 1.00 0.00 C ATOM 1236 C ALA A 77 8.573 6.539 -5.738 1.00 0.00 C ATOM 1237 O ALA A 77 8.153 7.558 -6.326 1.00 0.00 O ATOM 1238 CB ALA A 77 7.568 4.476 -4.746 1.00 0.00 C ATOM 0 H ALA A 77 5.680 6.108 -4.926 1.00 0.00 H new ATOM 0 HA ALA A 77 8.281 6.176 -3.659 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.546 3.999 -4.805 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.023 4.081 -3.889 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.008 4.270 -5.658 1.00 0.00 H new